| 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 | 53.1 | Low | 63.4 | Low | 214 Ų | 214 | 139.5 Ų | 139.5 | 100% | 1.054 | 66% | 0.659 | S | S | * | * | 0 | -38.8 | 0 | -147.8 | 170.1 | 166.1 | 0 | 0 | 113 | T3 | M1-T3 PolarHBondContact O-N 3.31Š| |||
| 2 | L | 51.9 | Low | 64.6 | Low | 149 Ų | 149 | 142.5 Ų | 142.5 | 78% | 0.78 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.6 | -36 | 175.9 | -87 | 101.6 | 0 | 0 | 0 | 115 | H4 F5 C6 | L2-H4 VanDerWaalsContact C-N 3.34Å; L2-H4 PolarHBondContact O-N 3.03Å; L2-F5 PolarHBondContact O-N 3.08Å; L2-C6 PolarHBondContact O-N 3.36Å |
| 3 | T | 57.6 | Low | 65.6 | Low | 121 Ų | 121 | 138.2 Ų | 138.2 | 74% | 0.742 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.4 | -36.5 | -177.4 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | M1 W7 | M1-T3 PolarHBondContact O-N 3.31Å; T3-W7 PolarHBondContact O-N 2.97Å |
| 4 | H | 55.5 | Low | 66.2 | Low | 106 Ų | 106 | 137.9 Ų | 137.9 | 49% | 0.491 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.5 | -30.6 | 178.8 | -169.1 | -111.3 | 0 | 0 | 0 | 112.5 | L2 K8 | L2-H4 VanDerWaalsContact C-N 3.34Å; L2-H4 PolarHBondContact O-N 3.03Å; H4-K8 VanDerWaalsContact CE1-CE 3.42Å; H4-K8 WeakPolarHBondContact CE1-CE 3.46Å; H4-K8 PolarHBondContact O-N 3.06Å |
| 5 | F | 58.4 | Low | 66.6 | Low | 169 Ų | 169 | 137.5 Ų | 137.5 | 74% | 0.741 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.7 | -41.5 | 176.1 | -130.4 | -88.9 | 0 | 0 | 0 | 111.6 | L2 W7 F9 | L2-F5 PolarHBondContact O-N 3.08Å; F5-W7 VanDerWaalsContact C-N 3.33Å; F5-W7 PolarHBondContact O-N 3.25Å; F5-F9 PolarHBondContact O-N 2.99Å; F5-F9 VanDerWaalsContact O-N 3.16Å |
| 6 | C | 66.8 | Low | 67.1 | Low | 79 Ų | 79 | 137.8 Ų | 137.8 | 53% | 0.534 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -61.9 | -37.1 | 175.7 | -78.9 | 0 | 0 | 0 | 0 | 113.2 | L2 R10 | L2-C6 PolarHBondContact O-N 3.36Å; C6-R10 WeakPolarHBondContact O-CG 3.21Å; C6-R10 PolarHBondContact O-N 2.94Å |
| 7 | W | 61.2 | Low | 67 | Low | 162 Ų | 162 | 134.6 Ų | 134.6 | 61% | 0.614 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.6 | -45.1 | -179.2 | -171.6 | 60.8 | 0 | 0 | 0 | 112.7 | T3 F5 F9 R10 I11 | T3-W7 PolarHBondContact O-N 2.97Å; F5-W7 VanDerWaalsContact C-N 3.33Å; F5-W7 PolarHBondContact O-N 3.25Å; W7-F9 VanDerWaalsContact C-N 3.3Å; W7-F9 PolarHBondContact O-N 3.28Å; W7-R10 PolarHBondContact O-N 3.44Å; W7-I11 HydrophobicContact CD2-CD1 3.76Å; W7-I11 VanDerWaalsContact CE2-CD1 3.43Å; W7-I11 HydrophobicContact CE3-CD1 4.14Å; W7-I11 HydrophobicContact CG-CD1 4.34Å; W7-I11 HydrophobicContact CH2-CD1 3.96Å; W7-I11 HydrophobicContact CZ2-CD1 3.56Å; W7-I11 HydrophobicContact CZ3-CD1 4.24Å; W7-I11 WeakPolarHBondContact O-CG1 3.39Å; W7-I11 PolarHBondContact O-N 2.84Å |
| 8 | K | 69.6 | Low | 66.6 | Low | 127 Ų | 127 | 133.6 Ų | 133.6 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.6 | -38.1 | 175.2 | -74.2 | -173.3 | 174.9 | -176 | 0 | 112.4 | H4 R12 | H4-K8 VanDerWaalsContact CE1-CE 3.42Å; H4-K8 WeakPolarHBondContact CE1-CE 3.46Å; H4-K8 PolarHBondContact O-N 3.06Å; K8-R12 PolarHBondContact O-N 3.06Å; K8-R12 VanDerWaalsContact O-N 3.11Å |
| 9 | F | 74 | Confident | 66.2 | Low | 141 Ų | 141 | 131.2 Ų | 131.2 | 62% | 0.618 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.7 | -43.4 | 176.5 | -170.3 | -96.3 | 0 | 0 | 0 | 112 | F5 W7 R12 L13 | F5-F9 PolarHBondContact O-N 2.99Å; F5-F9 VanDerWaalsContact O-N 3.16Å; W7-F9 VanDerWaalsContact C-N 3.3Å; W7-F9 PolarHBondContact O-N 3.28Å; F9-R12 PolarHBondContact O-N 3.18Å; F9-L13 WeakPolarHBondContact O-CB 3.4Å; F9-L13 PolarHBondContact O-N 3.01Å |
| 10 | R | 71.7 | Confident | 65.6 | Low | 184 Ų | 184 | 131.2 Ų | 131.2 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62 | -42.7 | 176.2 | -78.6 | -175.8 | 176.2 | -175.2 | -0.5 | 112.8 | C6 W7 L13 M14 | C6-R10 WeakPolarHBondContact O-CG 3.21Å; C6-R10 PolarHBondContact O-N 2.94Å; W7-R10 PolarHBondContact O-N 3.44Å; R10-L13 PolarHBondContact O-N 3.07Å; R10-M14 WeakPolarHBondContact O-CB 3.33Å; R10-M14 WeakPolarHBondContact O-CG 3.26Å; R10-M14 PolarHBondContact O-N 2.8Å |
| 11 | I | 77.3 | Confident | 64.8 | Low | 83 Ų | 83 | 130.5 Ų | 130.5 | 43% | 0.426 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.1 | -45.2 | 177.4 | -68.3 | 170.3 | 0 | 0 | 0 | 110.7 | W7 L13 M14 F15 | W7-I11 HydrophobicContact CD2-CD1 3.76Å; W7-I11 VanDerWaalsContact CE2-CD1 3.43Å; W7-I11 HydrophobicContact CE3-CD1 4.14Å; W7-I11 HydrophobicContact CG-CD1 4.34Å; W7-I11 HydrophobicContact CH2-CD1 3.96Å; W7-I11 HydrophobicContact CZ2-CD1 3.56Å; W7-I11 HydrophobicContact CZ3-CD1 4.24Å; W7-I11 WeakPolarHBondContact O-CG1 3.39Å; W7-I11 PolarHBondContact O-N 2.84Å; I11-L13 PolarHBondContact O-N 3.14Å; I11-M14 PolarHBondContact O-N 3.47Å; I11-F15 WeakPolarHBondContact O-CB 3.29Å; I11-F15 PolarHBondContact O-N 2.81Å |
| 12 | R | 78.1 | Confident | 64.5 | Low | 175 Ų | 175 | 128 Ų | 128 | 66% | 0.66 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60 | -45.3 | 175 | -95 | -175.6 | 173.8 | -179.6 | -1.5 | 111.6 | K8 F9 F15 Y16 | K8-R12 PolarHBondContact O-N 3.06Å; K8-R12 VanDerWaalsContact O-N 3.11Å; F9-R12 PolarHBondContact O-N 3.18Å; R12-F15 PolarHBondContact O-N 3.3Å; R12-Y16 HydrophobicContact CB-CD2 4.37Å; R12-Y16 HydrophobicContact CB-CE2 4.29Å; R12-Y16 HydrophobicContact CG-CE2 4.49Å; R12-Y16 WeakPolarHBondContact O-CD2 3.32Å; R12-Y16 PolarHBondContact O-N 3.4Å |
| 13 | L | 77.2 | Confident | 64.2 | Low | 86 Ų | 86 | 123.9 Ų | 123.9 | 45% | 0.45 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.5 | -43.1 | 178.6 | -173.2 | 68.7 | 0 | 0 | 0 | 111.5 | F9 R10 I11 F15 Y16 L17 | F9-L13 WeakPolarHBondContact O-CB 3.4Å; F9-L13 PolarHBondContact O-N 3.01Å; R10-L13 PolarHBondContact O-N 3.07Å; I11-L13 PolarHBondContact O-N 3.14Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.19Å; L13-Y16 PolarHBondContact O-N 3.43Å; L13-L17 HydrophobicContact CG-CD1 4.05Å; L13-L17 HydrophobicContact CG-CG 4.42Å; L13-L17 WeakPolarHBondContact O-CB 3.17Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.38Å |
| 14 | M | 74.5 | Confident | 63.6 | Low | 134 Ų | 134 | 124.1 Ų | 124.1 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.4 | -39.8 | 174.7 | -73 | -67.8 | -95 | 0 | 0 | 111.7 | R10 I11 L17 F18 | R10-M14 WeakPolarHBondContact O-CB 3.33Å; R10-M14 WeakPolarHBondContact O-CG 3.26Å; R10-M14 PolarHBondContact O-N 2.8Å; I11-M14 PolarHBondContact O-N 3.47Å; M14-L17 PolarHBondContact O-N 3.45Å; M14-F18 WeakPolarHBondContact O-CB 3.16Å; M14-F18 PolarHBondContact O-N 2.83Å |
| 15 | F | 72.7 | Confident | 63.1 | Low | 132 Ų | 132 | 123.6 Ų | 123.6 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67 | -40.6 | 175.7 | -156.4 | -98.8 | 0 | 0 | 0 | 111.7 | I11 R12 L13 F18 L19 | I11-F15 WeakPolarHBondContact O-CB 3.29Å; I11-F15 PolarHBondContact O-N 2.81Å; R12-F15 PolarHBondContact O-N 3.3Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.19Å; F15-F18 PolarHBondContact O-N 2.96Å; F15-L19 HydrophobicContact CD1-CD1 3.56Å; F15-L19 HydrophobicContact CD1-CG 4.01Å; F15-L19 HydrophobicContact CE1-CD1 3.55Å; F15-L19 HydrophobicContact CE1-CD2 4.38Å; F15-L19 HydrophobicContact CE1-CG 3.99Å; F15-L19 VanDerWaalsContact O-CB 3.31Å; F15-L19 WeakPolarHBondContact O-CB 3.36Å; F15-L19 VanDerWaalsContact O-CG 3.24Å; F15-L19 WeakPolarHBondContact O-CG 3.24Å; F15-L19 PolarHBondContact O-N 2.69Å |
| 16 | Y | 74.1 | Confident | 62.9 | Low | 143 Ų | 143 | 119.3 Ų | 119.3 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.9 | -46.3 | 173.6 | -78.9 | -63.4 | 0 | 0 | 0 | 111.4 | R12 L13 F18 L19 F20 | R12-Y16 HydrophobicContact CB-CD2 4.37Å; R12-Y16 HydrophobicContact CB-CE2 4.29Å; R12-Y16 HydrophobicContact CG-CE2 4.49Å; R12-Y16 WeakPolarHBondContact O-CD2 3.32Å; R12-Y16 PolarHBondContact O-N 3.4Å; L13-Y16 PolarHBondContact O-N 3.43Å; Y16-F18 VanDerWaalsContact C-N 3.32Å; Y16-F18 PolarHBondContact O-N 2.74Å; Y16-L19 CarbonylContact O-C 3.56Å; Y16-L19 PolarHBondContact O-N 3.44Å; Y16-F20 VanDerWaalsContact O-CB 3.23Å; Y16-F20 WeakPolarHBondContact O-CB 3.39Å; Y16-F20 PolarHBondContact O-N 2.82Å |
| 17 | L | 64.8 | Low | 62.9 | Low | 83 Ų | 83 | 119 Ų | 119 | 44% | 0.435 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -38.5 | 176.1 | -72.9 | 171.2 | 0 | 0 | 0 | 111.6 | L13 M14 F20 N21 | L13-L17 HydrophobicContact CG-CD1 4.05Å; L13-L17 HydrophobicContact CG-CG 4.42Å; L13-L17 WeakPolarHBondContact O-CB 3.17Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.38Å; M14-L17 PolarHBondContact O-N 3.45Å; L17-F20 PolarHBondContact O-N 2.96Å; L17-N21 WeakPolarHBondContact O-CB 3.44Å; L17-N21 PolarHBondContact O-N 2.86Å; L17-N21 PolarHBondContact O-ND2 3.42Å |
| 18 | F | 60.5 | Low | 63.6 | Low | 117 Ų | 117 | 111.3 Ų | 111.3 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -48.7 | 174.8 | -172.1 | -92.7 | 0 | 0 | 0 | 110.7 | M14 F15 Y16 F20 N21 Y22 | M14-F18 WeakPolarHBondContact O-CB 3.16Å; M14-F18 PolarHBondContact O-N 2.83Å; F15-F18 PolarHBondContact O-N 2.96Å; Y16-F18 VanDerWaalsContact C-N 3.32Å; Y16-F18 PolarHBondContact O-N 2.74Å; F18-F20 VanDerWaalsContact C-N 3.3Å; F18-F20 PolarHBondContact O-N 2.91Å; F18-N21 PolarHBondContact O-N 3.29Å; F18-Y22 HydrophobicContact CD1-CD2 4.08Å; F18-Y22 HydrophobicContact CD2-CD2 4.14Å; F18-Y22 HydrophobicContact CD2-CE2 4.27Å; F18-Y22 AromaticContact CE1-CD2 3.65Å; F18-Y22 HydrophobicContact CE1-CD2 3.65Å; F18-Y22 AromaticContact CE1-CE2 3.92Å; F18-Y22 HydrophobicContact CE1-CE2 3.92Å; F18-Y22 HydrophobicContact CE1-CG 4.25Å; F18-Y22 AromaticContact CE2-CD2 3.72Å; F18-Y22 HydrophobicContact CE2-CD2 3.72Å; F18-Y22 AromaticContact CE2-CE2 3.46Å; F18-Y22 HydrophobicContact CE2-CE2 3.46Å; F18-Y22 VanDerWaalsContact CE2-CE2 3.46Å; F18-Y22 HydrophobicContact CG-CD2 4.31Å; F18-Y22 AromaticContact CZ-CD2 3.46Å; F18-Y22 HydrophobicContact CZ-CD2 3.46Å; F18-Y22 VanDerWaalsContact CZ-CD2 3.46Å; F18-Y22 AromaticContact CZ-CE2 3.24Å; F18-Y22 HydrophobicContact CZ-CE2 3.24Å; F18-Y22 HydrophobicContact CZ-CG 4.38Å; F18-Y22 VanDerWaalsContact O-CB 3.31Å; F18-Y22 WeakPolarHBondContact O-CB 3.3Å; F18-Y22 PolarHBondContact O-N 3.07Å |
| 19 | L | 59.1 | Low | 63.9 | Low | 88 Ų | 88 | 106.2 Ų | 106.2 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -32 | 173.7 | -72.7 | 176.6 | 0 | 0 | 0 | 112.8 | F15 Y16 G23 | F15-L19 HydrophobicContact CD1-CD1 3.56Å; F15-L19 HydrophobicContact CD1-CG 4.01Å; F15-L19 HydrophobicContact CE1-CD1 3.55Å; F15-L19 HydrophobicContact CE1-CD2 4.38Å; F15-L19 HydrophobicContact CE1-CG 3.99Å; F15-L19 VanDerWaalsContact O-CB 3.31Å; F15-L19 WeakPolarHBondContact O-CB 3.36Å; F15-L19 VanDerWaalsContact O-CG 3.24Å; F15-L19 WeakPolarHBondContact O-CG 3.24Å; F15-L19 PolarHBondContact O-N 2.69Å; Y16-L19 CarbonylContact O-C 3.56Å; Y16-L19 PolarHBondContact O-N 3.44Å; L19-G23 VanDerWaalsContact O-CA 3.23Å; L19-G23 WeakPolarHBondContact O-CA 3.46Å; L19-G23 PolarHBondContact O-N 3.31Å |
| 20 | F | 53.6 | Low | 64.1 | Low | 131 Ų | 131 | 101.8 Ų | 101.8 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.8 | -38.3 | 177.7 | -131.9 | -91.5 | 0 | 0 | 0 | 111.4 | Y16 L17 F18 K24 | Y16-F20 VanDerWaalsContact O-CB 3.23Å; Y16-F20 WeakPolarHBondContact O-CB 3.39Å; Y16-F20 PolarHBondContact O-N 2.82Å; L17-F20 PolarHBondContact O-N 2.96Å; F18-F20 VanDerWaalsContact C-N 3.3Å; F18-F20 PolarHBondContact O-N 2.91Å; F20-K24 HydrophobicContact CD1-CD 4.4Å; F20-K24 WeakPolarHBondContact O-CB 3.47Å; F20-K24 VanDerWaalsContact O-CG 3.29Å; F20-K24 WeakPolarHBondContact O-CG 3.39Å; F20-K24 PolarHBondContact O-N 2.95Å |
| 21 | N | 48.3 | Very low | 64.5 | Low | 116 Ų | 116 | 96.3 Ų | 96.3 | 62% | 0.62 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -74.9 | -40.6 | 176.9 | -79.5 | -22.1 | 0 | 0 | 0 | 111.3 | L17 F18 K24 | L17-N21 WeakPolarHBondContact O-CB 3.44Å; L17-N21 PolarHBondContact O-N 2.86Å; L17-N21 PolarHBondContact O-ND2 3.42Å; F18-N21 PolarHBondContact O-N 3.29Å; N21-K24 PolarHBondContact O-N 2.76Å |
| 22 | Y | 48.1 | Very low | 64.8 | Low | 161 Ų | 161 | 97.7 Ų | 97.7 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.2 | -36.2 | 172.2 | -98.4 | -93.4 | 0 | 0 | 0 | 112.4 | F18 K24 C25 | F18-Y22 HydrophobicContact CD1-CD2 4.08Å; F18-Y22 HydrophobicContact CD2-CD2 4.14Å; F18-Y22 HydrophobicContact CD2-CE2 4.27Å; F18-Y22 AromaticContact CE1-CD2 3.65Å; F18-Y22 HydrophobicContact CE1-CD2 3.65Å; F18-Y22 AromaticContact CE1-CE2 3.92Å; F18-Y22 HydrophobicContact CE1-CE2 3.92Å; F18-Y22 HydrophobicContact CE1-CG 4.25Å; F18-Y22 AromaticContact CE2-CD2 3.72Å; F18-Y22 HydrophobicContact CE2-CD2 3.72Å; F18-Y22 AromaticContact CE2-CE2 3.46Å; F18-Y22 HydrophobicContact CE2-CE2 3.46Å; F18-Y22 VanDerWaalsContact CE2-CE2 3.46Å; F18-Y22 HydrophobicContact CG-CD2 4.31Å; F18-Y22 AromaticContact CZ-CD2 3.46Å; F18-Y22 HydrophobicContact CZ-CD2 3.46Å; F18-Y22 VanDerWaalsContact CZ-CD2 3.46Å; F18-Y22 AromaticContact CZ-CE2 3.24Å; F18-Y22 HydrophobicContact CZ-CE2 3.24Å; F18-Y22 HydrophobicContact CZ-CG 4.38Å; F18-Y22 VanDerWaalsContact O-CB 3.31Å; F18-Y22 WeakPolarHBondContact O-CB 3.3Å; F18-Y22 PolarHBondContact O-N 3.07Å; Y22-K24 PolarHBondContact O-N 2.75Å; Y22-C25 WeakPolarHBondContact O-CB 3.4Å; Y22-C25 PolarHBondContact O-N 3.48Å |
| 23 | G | 46.1 | Very low | 65.1 | Low | 63 Ų | 63 | 94.2 Ų | 94.2 | 65% | 0.649 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -12.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | L19 | L19-G23 VanDerWaalsContact O-CA 3.23Å; L19-G23 WeakPolarHBondContact O-CA 3.46Å; L19-G23 PolarHBondContact O-N 3.31Å |
| 24 | K | 43.1 | Very low | 65.5 | Low | 127 Ų | 127 | 90.9 Ų | 90.9 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 19.4 | 170.4 | -78.6 | -177 | 178 | -178.8 | 0 | 113 | F20 N21 Y22 N26 | F20-K24 HydrophobicContact CD1-CD 4.4Å; F20-K24 WeakPolarHBondContact O-CB 3.47Å; F20-K24 VanDerWaalsContact O-CG 3.29Å; F20-K24 WeakPolarHBondContact O-CG 3.39Å; F20-K24 PolarHBondContact O-N 2.95Å; N21-K24 PolarHBondContact O-N 2.76Å; Y22-K24 PolarHBondContact O-N 2.75Å; K24-N26 PolarHBondContact O-N 2.87Å |
| 25 | C | 46.5 | Very low | 66 | Low | 95 Ų | 95 | 86.1 Ų | 86.1 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | trans | -63 | 95.4 | 157.6 | -144.6 | 0 | 0 | 0 | 0 | 105.3 | Y22 D27 | Y22-C25 WeakPolarHBondContact O-CB 3.4Å; Y22-C25 PolarHBondContact O-N 3.48Å; C25-D27 VanDerWaalsContact C-N 3.27Å; C25-D27 PolarHBondContact O-N 3.48Å | ||
| 26 | N | 54 | Low | 66.7 | Low | 79 Ų | 79 | 82.6 Ų | 82.6 | 42% | 0.422 | 42% | 0.421 | S | S | . | . | trans | -67.5 | 102.8 | 172.7 | -62.5 | -60.1 | 0 | 0 | 0 | 104.3 | K24 C28 R87 E91 | K24-N26 PolarHBondContact O-N 2.87Å; N26-C28 PolarHBondContact O-N 3.48Å; N26-R87 HydrophobicContact CB-CG 4.15Å; N26-E91 WeakPolarHBondContact CB-OE1 3.2Å; N26-E91 PolarHBondContact N-OE1 3.3Å; N26-E91 PolarHBondContact ND2-OE1 3.4Å | ||
| 27 | D | 67.4 | Low | 67.5 | Low | 71 Ų | 71 | 79.9 Ų | 79.9 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | trans | -62.1 | 104.5 | -178.6 | -161.8 | 13.3 | 0 | 0 | 0 | 107.3 | C25 V29 H31 R87 | C25-D27 VanDerWaalsContact C-N 3.27Å; C25-D27 PolarHBondContact O-N 3.48Å; D27-V29 HydrophobicContact CB-CB 4.34Å; D27-V29 HydrophobicContact CB-CG2 4.43Å; D27-V29 PolarHBondContact O-N 2.88Å; D27-V29 WeakPolarHBondContact OD1-CG2 3.24Å; D27-V29 WeakPolarHBondContact OD2-CG2 3.48Å; D27-H31 IonicContact OD2-CE1 3.72Å; D27-R87 PolarHBondContact O-NE 3.49Å; D27-R87 VanDerWaalsContact O-NE 3.08Å | ||
| 28 | C | 74.5 | Confident | 68.8 | Low | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | trans | -76.7 | 59.7 | 178.4 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | N26 C88 T93 R97 | N26-C28 PolarHBondContact O-N 3.48Å; C28-C88 VanDerWaalsContact CA-SG 3.5Å; C28-C88 HydrophobicContact CB-CB 4.07Å; C28-C88 WeakPolarHBondContact CB-SG 3.33Å; C28-C88 WeakPolarHBondContact SG-CB 3.4Å; C28-C88 CovalentContact SG-SG 2.03Å; C28-C88 PolarHBondContact SG-SG 3.4Å; C28-T93 HydrophobicContact CB-CG2 4.14Å; C28-R97 VanDerWaalsContact SG-CD 3.58Å | ||
| 29 | V | 76.1 | Confident | 70.1 | Confident | 20 Ų | 20 | 70.5 Ų | 70.5 | 12% | 0.121 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -126.7 | 135.9 | -173.7 | 158 | 0 | 0 | 0 | 0 | 107.9 | D27 H31 I84 R87 L315 | D27-V29 HydrophobicContact CB-CB 4.34Å; D27-V29 HydrophobicContact CB-CG2 4.43Å; D27-V29 PolarHBondContact O-N 2.88Å; D27-V29 WeakPolarHBondContact OD1-CG2 3.24Å; D27-V29 WeakPolarHBondContact OD2-CG2 3.48Å; V29-H31 PolarHBondContact O-N 2.92Å; V29-I84 VanDerWaalsContact C-CD1 3.47Å; V29-I84 WeakPolarHBondContact O-CD1 3.34Å; V29-R87 PolarHBondContact O-NH2 3.22Å; V29-L315 HydrophobicContact CB-CD1 3.93Å; V29-L315 HydrophobicContact CB-CD2 4.06Å; V29-L315 HydrophobicContact CB-CG 4.38Å; V29-L315 HydrophobicContact CG1-CD1 3.49Å; V29-L315 VanDerWaalsContact CG1-CD1 3.49Å; V29-L315 HydrophobicContact CG1-CG 4.43Å; V29-L315 HydrophobicContact CG2-CB 3.63Å; V29-L315 HydrophobicContact CG2-CD1 3.72Å; V29-L315 HydrophobicContact CG2-CD2 3.52Å; V29-L315 HydrophobicContact CG2-CG 3.75Å |
| 30 | L | 77.5 | Confident | 71.5 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 25% | 0.251 | 38% | 0.38 | S | S | . | . | trans | -69.8 | 118.1 | 168.6 | 180 | 71.1 | 0 | 0 | 0 | 109.6 | D34 L35 A80 W101 F105 | L30-D34 HydrophobicContact CD1-CB 4.05Å; L30-L35 HydrophobicContact CD1-CG 4.39Å; L30-L35 HydrophobicContact CD2-CD1 4.06Å; L30-L35 HydrophobicContact CD2-CD2 4.41Å; L30-L35 HydrophobicContact CD2-CG 4.23Å; L30-A80 HydrophobicContact CD1-CB 4.24Å; L30-W101 HydrophobicContact CB-CH2 4.13Å; L30-W101 HydrophobicContact CB-CZ3 4.46Å; L30-F105 HydrophobicContact CB-CZ 4.42Å; L30-F105 HydrophobicContact CD1-CE1 4.5Å; L30-F105 HydrophobicContact CD1-CZ 3.78Å; L30-F105 HydrophobicContact CD2-CE1 4.19Å; L30-F105 HydrophobicContact CD2-CZ 3.61Å; L30-F105 HydrophobicContact CG-CZ 4.11Å | ||
| 31 | H | 81.8 | Confident | 73.3 | Confident | 69 Ų | 69 | 74 Ų | 74 | 32% | 0.319 | 39% | 0.39 | S | S | . | . | trans | -92.4 | 149.7 | 172.9 | -60 | -66.1 | 0 | 0 | 0 | 110.9 | D27 V29 D33 D34 L35 | D27-H31 IonicContact OD2-CE1 3.72Å; V29-H31 PolarHBondContact O-N 2.92Å; H31-D33 PolarHBondContact O-N 2.88Å; H31-D34 IonicContact CD2-OD2 3.85Å; H31-D34 PolarHBondContact N-OD2 3.27Å; H31-D34 WeakPolarHBondContact O-CB 3.27Å; H31-D34 PolarHBondContact O-N 2.85Å; H31-L35 PolarHBondContact O-N 3.35Å | ||
| 32 | I | 82.2 | Confident | 75.1 | Confident | 111 Ų | 111 | 69.8 Ų | 69.8 | 57% | 0.569 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.6 | -31.2 | 173 | -170.4 | 58.6 | 0 | 0 | 0 | 111.7 | D34 L35 N36 | I32-D34 VanDerWaalsContact C-N 3.31Å; I32-D34 PolarHBondContact O-N 3.29Å; I32-L35 HydrophobicContact CD1-CD1 4.27Å; I32-L35 PolarHBondContact O-N 2.97Å; I32-N36 VanDerWaalsContact O-CG 3.32Å; I32-N36 PolarHBondContact O-N 3.44Å; I32-N36 PolarHBondContact O-ND2 3.3Å |
| 33 | D | 85.3 | Confident | 76.8 | Confident | 103 Ų | 103 | 64.9 Ų | 64.9 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.1 | -31.8 | 175.7 | -70.9 | -26.1 | 0 | 0 | 0 | 112.7 | H31 N36 N37 | H31-D33 PolarHBondContact O-N 2.88Å; D33-N36 PolarHBondContact O-N 2.7Å; D33-N37 VanDerWaalsContact O-CB 3.29Å; D33-N37 WeakPolarHBondContact O-CB 3.47Å; D33-N37 PolarHBondContact O-N 3.07Å; D33-N37 PolarHBondContact O-ND2 3.41Å; D33-N37 VanDerWaalsContact O-ND2 3.08Å |
| 34 | D | 86 | Confident | 78.6 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.08 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.6 | -47 | 174.3 | -57.6 | -42.6 | 0 | 0 | 0 | 109.7 | L30 H31 I32 N37 C38 T83 R87 | L30-D34 HydrophobicContact CD1-CB 4.05Å; H31-D34 IonicContact CD2-OD2 3.85Å; H31-D34 PolarHBondContact N-OD2 3.27Å; H31-D34 WeakPolarHBondContact O-CB 3.27Å; H31-D34 PolarHBondContact O-N 2.85Å; I32-D34 VanDerWaalsContact C-N 3.31Å; I32-D34 PolarHBondContact O-N 3.29Å; D34-N37 PolarHBondContact O-N 2.79Å; D34-C38 WeakPolarHBondContact O-CB 3.43Å; D34-C38 PolarHBondContact O-N 3.33Å; D34-C38 PolarHBondContact O-SG 3.11Å; D34-T83 HydrophobicContact CB-CG2 4.11Å; D34-R87 IonicContact OD1-CZ 3.9Å; D34-R87 IonicContact OD1-NH1 3.5Å; D34-R87 PolarHBondContact OD1-NH1 3.14Å; D34-R87 IonicContact OD1-NH2 3.52Å; D34-R87 IonicContact OD2-CZ 3.44Å; D34-R87 IonicContact OD2-NH1 3.47Å; D34-R87 PolarHBondContact OD2-NH1 3.21Å; D34-R87 IonicContact OD2-NH2 3.56Å; D34-R87 PolarHBondContact OD2-NH2 2.9Å |
| 35 | L | 85 | Confident | 80.2 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 18% | 0.183 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 176.8 | -68.4 | 173.6 | 0 | 0 | 0 | 111.3 | L30 H31 I32 N37 C38 A39 I47 V76 A80 | L30-L35 HydrophobicContact CD1-CG 4.39Å; L30-L35 HydrophobicContact CD2-CD1 4.06Å; L30-L35 HydrophobicContact CD2-CD2 4.41Å; L30-L35 HydrophobicContact CD2-CG 4.23Å; H31-L35 PolarHBondContact O-N 3.35Å; I32-L35 HydrophobicContact CD1-CD1 4.27Å; I32-L35 PolarHBondContact O-N 2.97Å; L35-N37 VanDerWaalsContact C-N 3.32Å; L35-N37 PolarHBondContact O-N 3.49Å; L35-C38 WeakPolarHBondContact O-CB 3.42Å; L35-C38 PolarHBondContact O-N 2.9Å; L35-A39 WeakPolarHBondContact O-CB 3.35Å; L35-A39 PolarHBondContact O-N 3.38Å; L35-I47 VanDerWaalsContact C-CD1 3.42Å; L35-I47 HydrophobicContact CB-CD1 3.65Å; L35-I47 VanDerWaalsContact O-CD1 3.31Å; L35-I47 WeakPolarHBondContact O-CD1 3.23Å; L35-V76 HydrophobicContact CD2-CG1 4.31Å; L35-A80 HydrophobicContact CD2-CB 3.73Å |
| 36 | N | 87.3 | Confident | 81.4 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 179.4 | -73.6 | -28.9 | 0 | 0 | 0 | 112.4 | I32 D33 A39 K40 | I32-N36 VanDerWaalsContact O-CG 3.32Å; I32-N36 PolarHBondContact O-N 3.44Å; I32-N36 PolarHBondContact O-ND2 3.3Å; D33-N36 PolarHBondContact O-N 2.7Å; N36-A39 PolarHBondContact O-N 3.22Å; N36-K40 WeakPolarHBondContact O-CG 3.35Å; N36-K40 PolarHBondContact O-N 2.82Å |
| 37 | N | 90.6 | Very high | 82.3 | Confident | 85 Ų | 85 | 64.5 Ų | 64.5 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 176.1 | -71.6 | -27.2 | 0 | 0 | 0 | 111.2 | D33 D34 L35 A39 K40 L41 | D33-N37 VanDerWaalsContact O-CB 3.29Å; D33-N37 WeakPolarHBondContact O-CB 3.47Å; D33-N37 PolarHBondContact O-N 3.07Å; D33-N37 PolarHBondContact O-ND2 3.41Å; D33-N37 VanDerWaalsContact O-ND2 3.08Å; D34-N37 PolarHBondContact O-N 2.79Å; L35-N37 VanDerWaalsContact C-N 3.32Å; L35-N37 PolarHBondContact O-N 3.49Å; N37-A39 VanDerWaalsContact C-N 3.33Å; N37-A39 PolarHBondContact O-N 3.15Å; N37-K40 PolarHBondContact O-N 2.87Å; N37-L41 WeakPolarHBondContact O-CG 3.36Å; N37-L41 PolarHBondContact O-N 3.35Å |
| 38 | C | 91.2 | Very high | 82.2 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 174.7 | -72.7 | 0 | 0 | 0 | 0 | 113 | D34 L35 L41 A42 V76 C79 A80 | D34-C38 WeakPolarHBondContact O-CB 3.43Å; D34-C38 PolarHBondContact O-N 3.33Å; D34-C38 PolarHBondContact O-SG 3.11Å; L35-C38 WeakPolarHBondContact O-CB 3.42Å; L35-C38 PolarHBondContact O-N 2.9Å; C38-L41 PolarHBondContact O-N 3.39Å; C38-A42 WeakPolarHBondContact O-CB 3.5Å; C38-A42 PolarHBondContact O-N 3.42Å; C38-V76 HydrophobicContact CB-CG1 4.2Å; C38-C79 WeakPolarHBondContact CA-SG 3.3Å; C38-C79 HydrophobicContact CB-CB 3.56Å; C38-C79 WeakPolarHBondContact CB-SG 3.47Å; C38-C79 WeakPolarHBondContact SG-CB 3.23Å; C38-C79 CovalentContact SG-SG 2.04Å; C38-C79 PolarHBondContact SG-SG 3.17Å; C38-A80 PolarHBondContact SG-N 3.11Å |
| 39 | A | 88 | Confident | 81.9 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L35 N36 N37 L41 A42 G43 V44 I47 V76 | L35-A39 WeakPolarHBondContact O-CB 3.35Å; L35-A39 PolarHBondContact O-N 3.38Å; N36-A39 PolarHBondContact O-N 3.22Å; N37-A39 VanDerWaalsContact C-N 3.33Å; N37-A39 PolarHBondContact O-N 3.15Å; A39-L41 VanDerWaalsContact C-N 3.33Å; A39-L41 PolarHBondContact O-N 2.98Å; A39-A42 CarbonylContact O-C 3.48Å; A39-A42 WeakPolarHBondContact O-CA 3.1Å; A39-A42 PolarHBondContact O-N 3.1Å; A39-A42 VanDerWaalsContact O-N 3.08Å; A39-G43 PolarHBondContact O-N 2.9Å; A39-G43 VanDerWaalsContact O-N 3.14Å; A39-V44 CarbonylContact C-O 3.43Å; A39-V44 HydrophobicContact CB-CB 4.15Å; A39-V44 HydrophobicContact CB-CG1 4.45Å; A39-V44 WeakPolarHBondContact O-CB 3.31Å; A39-V44 PolarHBondContact O-N 3.15Å; A39-I47 HydrophobicContact CB-CD1 3.67Å; A39-I47 HydrophobicContact CB-CG1 3.39Å; A39-V76 HydrophobicContact CB-CG2 4.18Å |
| 40 | K | 89.9 | Confident | 81.3 | Confident | 145 Ų | 145 | 70.5 Ų | 70.5 | 63% | 0.63 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.9 | -45.4 | 174.5 | -71.5 | 171 | -174.7 | 170.7 | 0 | 111.6 | N36 N37 A42 G43 | N36-K40 WeakPolarHBondContact O-CG 3.35Å; N36-K40 PolarHBondContact O-N 2.82Å; N37-K40 PolarHBondContact O-N 2.87Å; K40-A42 VanDerWaalsContact C-N 3.26Å; K40-A42 PolarHBondContact O-N 2.87Å; K40-G43 PolarHBondContact O-N 3.42Å |
| 41 | L | 89.7 | Confident | 80.8 | Confident | 148 Ų | 148 | 71.9 Ų | 71.9 | 78% | 0.775 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.7 | -32.6 | 176.4 | -69.2 | 173.8 | 0 | 0 | 0 | 112.5 | N37 C38 A39 G43 | N37-L41 WeakPolarHBondContact O-CG 3.36Å; N37-L41 PolarHBondContact O-N 3.35Å; C38-L41 PolarHBondContact O-N 3.39Å; A39-L41 VanDerWaalsContact C-N 3.33Å; A39-L41 PolarHBondContact O-N 2.98Å; L41-G43 PolarHBondContact O-N 3.44Å |
| 42 | A | 86.5 | Confident | 80.5 | Confident | 26 Ų | 26 | 71.1 Ų | 71.1 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -0.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | C38 A39 K40 V44 W72 K75 V76 | C38-A42 WeakPolarHBondContact O-CB 3.5Å; C38-A42 PolarHBondContact O-N 3.42Å; A39-A42 CarbonylContact O-C 3.48Å; A39-A42 WeakPolarHBondContact O-CA 3.1Å; A39-A42 PolarHBondContact O-N 3.1Å; A39-A42 VanDerWaalsContact O-N 3.08Å; K40-A42 VanDerWaalsContact C-N 3.26Å; K40-A42 PolarHBondContact O-N 2.87Å; A42-V44 HydrophobicContact CB-CG2 4.33Å; A42-W72 HydrophobicContact CB-CB 4.44Å; A42-K75 HydrophobicContact CB-CB 4.27Å; A42-V76 HydrophobicContact CB-CG2 3.93Å |
| 43 | G | 85.3 | Confident | 80.7 | Confident | 58 Ų | 58 | 65.8 Ų | 65.8 | 60% | 0.598 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 26.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A39 K40 L41 | A39-G43 PolarHBondContact O-N 2.9Å; A39-G43 VanDerWaalsContact O-N 3.14Å; K40-G43 PolarHBondContact O-N 3.42Å; L41-G43 PolarHBondContact O-N 3.44Å |
| 44 | V | 82.2 | Confident | 80.8 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | trans | -105.3 | 124.5 | 178.9 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | A39 A42 R46 W72 | A39-V44 CarbonylContact C-O 3.43Å; A39-V44 HydrophobicContact CB-CB 4.15Å; A39-V44 HydrophobicContact CB-CG1 4.45Å; A39-V44 WeakPolarHBondContact O-CB 3.31Å; A39-V44 PolarHBondContact O-N 3.15Å; A42-V44 HydrophobicContact CB-CG2 4.33Å; V44-R46 WeakPolarHBondContact CG1-O 3.22Å; V44-W72 HydrophobicContact CB-CE3 4.48Å; V44-W72 HydrophobicContact CG1-CE3 4.29Å; V44-W72 HydrophobicContact CG1-CZ3 4.48Å; V44-W72 HydrophobicContact CG2-CB 3.57Å; V44-W72 HydrophobicContact CG2-CD2 3.66Å; V44-W72 HydrophobicContact CG2-CE3 3.7Å; V44-W72 HydrophobicContact CG2-CG 3.63Å | ||
| 45 | T | 76.8 | Confident | 80.9 | Confident | 150 Ų | 150 | 60.9 Ų | 60.9 | 92% | 0.92 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -78.8 | -31.1 | -175.6 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 46 | R | 71.7 | Confident | 80.8 | Confident | 156 Ų | 156 | 59.3 Ų | 59.3 | 59% | 0.589 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -143.1 | 130.6 | 178 | 175.7 | 179.1 | 175.8 | -178.6 | 1.7 | 108.9 | V44 P48 E49 | V44-R46 WeakPolarHBondContact CG1-O 3.22Å; R46-P48 WeakPolarHBondContact O-CD 3.41Å; R46-E49 IonicContact NH2-OE1 2.71Å; R46-E49 PolarHBondContact NH2-OE1 3.29Å; R46-E49 VanDerWaalsContact NH2-OE1 3.14Å |
| 47 | I | 72.8 | Confident | 80.3 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 21% | 0.205 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 123.9 | 164.9 | -61.5 | 166.1 | 0 | 0 | 0 | 106.6 | L35 A39 V76 | L35-I47 VanDerWaalsContact C-CD1 3.42Å; L35-I47 HydrophobicContact CB-CD1 3.65Å; L35-I47 VanDerWaalsContact O-CD1 3.31Å; L35-I47 WeakPolarHBondContact O-CD1 3.23Å; A39-I47 HydrophobicContact CB-CD1 3.67Å; A39-I47 HydrophobicContact CB-CG1 3.39Å; I47-V76 HydrophobicContact CD1-CG1 4.49Å |
| 48 | P | 66 | Low | 79.4 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -50.6 | 151.4 | 171.5 | -27.1 | 35.9 | 0 | 0 | 0 | 111.3 | R46 E52 F58 W72 | R46-P48 WeakPolarHBondContact O-CD 3.41Å; P48-E52 VanDerWaalsContact CA-OE2 3.22Å; P48-E52 WeakPolarHBondContact CA-OE2 3.43Å; P48-E52 HydrophobicContact CB-CB 4.16Å; P48-E52 VanDerWaalsContact CB-OE2 3.24Å; P48-E52 WeakPolarHBondContact CB-OE2 3.45Å; P48-F58 VanDerWaalsContact CB-O 3.23Å; P48-F58 WeakPolarHBondContact CB-O 3.25Å; P48-W72 HydrophobicContact CG-CH2 3.98Å; P48-W72 HydrophobicContact CG-CZ2 4.22Å |
| 49 | E | 67.4 | Low | 78.8 | Confident | 88 Ų | 88 | 54 Ų | 54 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 147.6 | 175.3 | -71.7 | -178.9 | -156.7 | 0 | 0 | 110.1 | R46 Y51 E52 | R46-E49 IonicContact NH2-OE1 2.71Å; R46-E49 PolarHBondContact NH2-OE1 3.29Å; R46-E49 VanDerWaalsContact NH2-OE1 3.14Å; E49-Y51 HydrophobicContact CB-CD2 4.47Å; E49-Y51 HydrophobicContact CB-CE2 4.03Å; E49-Y51 PolarHBondContact O-N 2.95Å; E49-Y51 VanDerWaalsContact OE2-CE2 3.28Å; E49-Y51 WeakPolarHBondContact OE2-CE2 3.22Å; E49-Y51 VanDerWaalsContact OE2-CZ 3.27Å; E49-Y51 PolarHBondContact OE2-OH 2.49Å; E49-E52 HydrophobicContact CB-CB 4.49Å; E49-E52 PolarHBondContact N-OE2 3.22Å; E49-E52 WeakPolarHBondContact O-CB 3.41Å; E49-E52 PolarHBondContact O-N 3.13Å |
| 50 | K | 63.4 | Low | 78.9 | Confident | 119 Ų | 119 | 54.7 Ų | 54.7 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -26.8 | -171.3 | -175.4 | 180 | 175.9 | -175.2 | 0 | 113.8 | S153 | K50-S153 PolarHBondContact NZ-OG 3.35Š|
| 51 | Y | 68.6 | Low | 79 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -0 | -176.7 | 40.5 | -98.6 | 0 | 0 | 0 | 114.2 | E49 G53 E142 S145 K146 | E49-Y51 HydrophobicContact CB-CD2 4.47Å; E49-Y51 HydrophobicContact CB-CE2 4.03Å; E49-Y51 PolarHBondContact O-N 2.95Å; E49-Y51 VanDerWaalsContact OE2-CE2 3.28Å; E49-Y51 WeakPolarHBondContact OE2-CE2 3.22Å; E49-Y51 VanDerWaalsContact OE2-CZ 3.27Å; E49-Y51 PolarHBondContact OE2-OH 2.49Å; Y51-G53 PolarHBondContact O-N 2.79Å; Y51-E142 HydrophobicContact CD2-CG 4.22Å; Y51-E142 WeakPolarHBondContact O-CG 3.23Å; Y51-S145 VanDerWaalsContact O-CB 3.22Å; Y51-S145 WeakPolarHBondContact O-CB 3.5Å; Y51-K146 HydrophobicContact CG-CB 4.47Å |
| 52 | E | 75 | Confident | 79 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | trans | -53.9 | 121.1 | -169 | -168.1 | 164.9 | 168.2 | 0 | 0 | 112.9 | P48 E49 F54 G55 G59 | P48-E52 VanDerWaalsContact CA-OE2 3.22Å; P48-E52 WeakPolarHBondContact CA-OE2 3.43Å; P48-E52 HydrophobicContact CB-CB 4.16Å; P48-E52 VanDerWaalsContact CB-OE2 3.24Å; P48-E52 WeakPolarHBondContact CB-OE2 3.45Å; E49-E52 HydrophobicContact CB-CB 4.49Å; E49-E52 PolarHBondContact N-OE2 3.22Å; E49-E52 WeakPolarHBondContact O-CB 3.41Å; E49-E52 PolarHBondContact O-N 3.13Å; E52-F54 PolarHBondContact O-N 2.72Å; E52-G55 PolarHBondContact O-N 3.28Å; E52-G55 VanDerWaalsContact O-N 3.08Å; E52-G59 CarbonylContact O-C 3.54Å | ||
| 53 | G | 85.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | -125.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y51 G55 E142 S145 | Y51-G53 PolarHBondContact O-N 2.79Å; G53-G55 VanDerWaalsContact C-N 3.34Å; G53-E142 PolarHBondContact N-OE2 3.42Å; G53-E142 WeakPolarHBondContact O-CA 3.36Å; G53-S145 PolarHBondContact O-OG 2.95Å |
| 54 | F | 89.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -22.6 | -179.1 | -72.9 | -104.4 | 0 | 0 | 0 | 112.9 | E52 F56 V61 L134 E138 V141 S145 K192 I196 L200 I212 F216 | E52-F54 PolarHBondContact O-N 2.72Å; F54-F56 HydrophobicContact CB-CD2 3.48Å; F54-F56 VanDerWaalsContact CB-CD2 3.48Å; F54-F56 HydrophobicContact CB-CE1 4.33Å; F54-F56 HydrophobicContact CB-CE2 3.2Å; F54-F56 HydrophobicContact CB-CG 4.16Å; F54-F56 HydrophobicContact CB-CZ 3.65Å; F54-F56 AromaticContact CD1-CE2 3.78Å; F54-F56 HydrophobicContact CD1-CE2 3.78Å; F54-F56 AromaticContact CD1-CZ 3.73Å; F54-F56 HydrophobicContact CD1-CZ 3.73Å; F54-F56 HydrophobicContact CD2-CE2 4.08Å; F54-F56 HydrophobicContact CG-CD2 4.16Å; F54-F56 AromaticContact CG-CE2 3.42Å; F54-F56 HydrophobicContact CG-CE2 3.42Å; F54-F56 VanDerWaalsContact CG-CE2 3.42Å; F54-F56 AromaticContact CG-CZ 3.84Å; F54-F56 HydrophobicContact CG-CZ 3.84Å; F54-V61 HydrophobicContact CD2-CG2 3.45Å; F54-V61 VanDerWaalsContact CD2-CG2 3.45Å; F54-V61 HydrophobicContact CE2-CG2 3.52Å; F54-V61 HydrophobicContact CG-CG2 4.43Å; F54-L134 HydrophobicContact CE1-CD2 4.24Å; F54-L134 HydrophobicContact CE2-CB 4.37Å; F54-L134 HydrophobicContact CZ-CB 4.32Å; F54-L134 HydrophobicContact CZ-CD2 3.88Å; F54-E138 HydrophobicContact CD2-CG 4.36Å; F54-E138 HydrophobicContact CE2-CB 4.25Å; F54-E138 HydrophobicContact CE2-CG 4.48Å; F54-V141 HydrophobicContact CB-CG1 4.3Å; F54-V141 HydrophobicContact CD1-CG1 3.6Å; F54-V141 HydrophobicContact CD2-CB 4.46Å; F54-V141 HydrophobicContact CD2-CG1 3.97Å; F54-V141 HydrophobicContact CE1-CB 4.26Å; F54-V141 HydrophobicContact CE1-CG1 3.77Å; F54-V141 HydrophobicContact CE1-CG2 3.9Å; F54-V141 HydrophobicContact CE2-CB 4.23Å; F54-V141 HydrophobicContact CE2-CG1 4.15Å; F54-V141 HydrophobicContact CE2-CG2 4.35Å; F54-V141 HydrophobicContact CG-CG1 3.69Å; F54-V141 HydrophobicContact CZ-CB 4.12Å; F54-V141 HydrophobicContact CZ-CG1 4.06Å; F54-V141 HydrophobicContact CZ-CG2 3.78Å; F54-S145 PolarHBondContact O-OG 3.1Å; F54-K192 WeakPolarHBondContact O-CE 3.27Å; F54-K192 PolarHBondContact O-NZ 3.24Å; F54-I196 HydrophobicContact CD1-CD1 4.5Å; F54-I196 HydrophobicContact CD1-CG2 4.37Å; F54-I196 HydrophobicContact CE1-CG2 3.98Å; F54-L200 HydrophobicContact CE1-CD1 3.95Å; F54-L200 HydrophobicContact CZ-CD1 4.24Å; F54-L200 HydrophobicContact CZ-CD2 4.46Å; F54-I212 HydrophobicContact CD1-CD1 4.23Å; F54-I212 HydrophobicContact CE1-CD1 3.85Å; F54-F216 WeakPolarHBondContact O-CZ 2.98Å |
| 55 | G | 86.6 | Confident | 79.8 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 16% | 0.155 | 22% | 0.216 | C | C | . | . | trans | 75.7 | 33.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E52 G53 G57 F58 G59 | E52-G55 PolarHBondContact O-N 3.28Å; E52-G55 VanDerWaalsContact O-N 3.08Å; G53-G55 VanDerWaalsContact C-N 3.34Å; G55-G57 PolarHBondContact O-N 3.11Å; G55-F58 PolarHBondContact O-N 3.15Å; G55-G59 CarbonylContact C-O 3.54Å; G55-G59 WeakPolarHBondContact CA-O 3.46Å; G55-G59 PolarHBondContact N-O 3.07Å; G55-G59 VanDerWaalsContact N-O 3.1Å | ||
| 56 | F | 83.6 | Confident | 80.5 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -71.7 | 109.2 | 173.8 | -64.8 | -58.5 | 0 | 0 | 0 | 109.9 | F54 F58 G59 V64 L117 F126 I212 Y215 F216 | F54-F56 HydrophobicContact CB-CD2 3.48Å; F54-F56 VanDerWaalsContact CB-CD2 3.48Å; F54-F56 HydrophobicContact CB-CE1 4.33Å; F54-F56 HydrophobicContact CB-CE2 3.2Å; F54-F56 HydrophobicContact CB-CG 4.16Å; F54-F56 HydrophobicContact CB-CZ 3.65Å; F54-F56 AromaticContact CD1-CE2 3.78Å; F54-F56 HydrophobicContact CD1-CE2 3.78Å; F54-F56 AromaticContact CD1-CZ 3.73Å; F54-F56 HydrophobicContact CD1-CZ 3.73Å; F54-F56 HydrophobicContact CD2-CE2 4.08Å; F54-F56 HydrophobicContact CG-CD2 4.16Å; F54-F56 AromaticContact CG-CE2 3.42Å; F54-F56 HydrophobicContact CG-CE2 3.42Å; F54-F56 VanDerWaalsContact CG-CE2 3.42Å; F54-F56 AromaticContact CG-CZ 3.84Å; F54-F56 HydrophobicContact CG-CZ 3.84Å; F56-F58 PolarHBondContact O-N 3.32Å; F56-G59 PolarHBondContact N-O 3.46Å; F56-G59 PolarHBondContact O-N 3.31Å; F56-V64 HydrophobicContact CB-CG2 3.54Å; F56-V64 HydrophobicContact CD2-CG2 3.56Å; F56-V64 HydrophobicContact CE2-CG2 4.5Å; F56-V64 HydrophobicContact CG-CG2 3.75Å; F56-L117 HydrophobicContact CD1-CD2 4.03Å; F56-L117 HydrophobicContact CE1-CD2 4.49Å; F56-L117 HydrophobicContact CG-CD2 4.43Å; F56-F126 HydrophobicContact CD2-CE2 4.2Å; F56-F126 HydrophobicContact CD2-CZ 4.44Å; F56-F126 AromaticContact CE2-CE2 3.76Å; F56-F126 HydrophobicContact CE2-CE2 3.76Å; F56-F126 HydrophobicContact CE2-CZ 4.33Å; F56-F126 HydrophobicContact CZ-CE2 4.24Å; F56-I212 HydrophobicContact CE1-CG1 4.45Å; F56-I212 HydrophobicContact CE1-CG2 4.5Å; F56-I212 HydrophobicContact CZ-CD1 4.2Å; F56-I212 HydrophobicContact CZ-CG1 3.93Å; F56-I212 HydrophobicContact CZ-CG2 4.35Å; F56-Y215 AromaticContact CD1-CD1 3.65Å; F56-Y215 HydrophobicContact CD1-CD1 3.65Å; F56-Y215 AromaticContact CD1-CE1 3.47Å; F56-Y215 HydrophobicContact CD1-CE1 3.47Å; F56-Y215 VanDerWaalsContact CD1-CE1 3.47Å; F56-Y215 HydrophobicContact CD1-CE2 4.39Å; F56-Y215 HydrophobicContact CD1-CG 4.2Å; F56-Y215 AromaticContact CD1-CZ 3.87Å; F56-Y215 AromaticContact CE1-CD1 3.72Å; F56-Y215 HydrophobicContact CE1-CD1 3.72Å; F56-Y215 HydrophobicContact CE1-CE1 4.03Å; F56-Y215 HydrophobicContact CE1-CG 4.21Å; F56-F216 HydrophobicContact CE1-CE2 4.31Å; F56-F216 HydrophobicContact CE1-CZ 4.31Å |
| 57 | G | 76.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 36.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112 | G55 G59 W72 H73 Y215 | G55-G57 PolarHBondContact O-N 3.11Å; G57-G59 VanDerWaalsContact C-N 3.3Å; G57-G59 PolarHBondContact O-N 3.28Å; G57-W72 WeakPolarHBondContact O-CH2 3.29Å; G57-W72 WeakPolarHBondContact O-CZ2 3.49Å; G57-H73 VanDerWaalsContact O-CB 3.26Å; G57-H73 WeakPolarHBondContact O-CB 3.24Å; G57-Y215 PolarHBondContact N-OH 3.38Å |
| 58 | F | 70.5 | Confident | 82.3 | Confident | 33 Ų | 33 | 31 Ų | 31 | 15% | 0.145 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 2.2 | -174.1 | -42.3 | -64.5 | 0 | 0 | 0 | 116.6 | P48 G55 F56 H73 Y77 Y110 | P48-F58 VanDerWaalsContact CB-O 3.23Å; P48-F58 WeakPolarHBondContact CB-O 3.25Å; G55-F58 PolarHBondContact O-N 3.15Å; F56-F58 PolarHBondContact O-N 3.32Å; F58-H73 HydrophobicContact CD2-CB 3.69Å; F58-H73 HydrophobicContact CE2-CB 3.79Å; F58-Y77 HydrophobicContact CD1-CE2 4.41Å; F58-Y77 HydrophobicContact CD2-CD2 4.3Å; F58-Y77 AromaticContact CD2-CE2 3.75Å; F58-Y77 HydrophobicContact CD2-CE2 3.75Å; F58-Y77 HydrophobicContact CE1-CE1 4.44Å; F58-Y77 AromaticContact CE1-CE2 3.79Å; F58-Y77 HydrophobicContact CE1-CE2 3.79Å; F58-Y77 AromaticContact CE1-CZ 3.56Å; F58-Y77 WeakPolarHBondContact CE1-OH 3.47Å; F58-Y77 AromaticContact CE2-CD2 3.42Å; F58-Y77 HydrophobicContact CE2-CD2 3.42Å; F58-Y77 VanDerWaalsContact CE2-CD2 3.42Å; F58-Y77 HydrophobicContact CE2-CE1 4.48Å; F58-Y77 AromaticContact CE2-CE2 3.02Å; F58-Y77 HydrophobicContact CE2-CE2 3.02Å; F58-Y77 HydrophobicContact CE2-CG 4.31Å; F58-Y77 AromaticContact CE2-CZ 3.64Å; F58-Y77 HydrophobicContact CG-CE2 4.4Å; F58-Y77 HydrophobicContact CZ-CD1 4.4Å; F58-Y77 AromaticContact CZ-CD2 3.75Å; F58-Y77 HydrophobicContact CZ-CD2 3.75Å; F58-Y77 AromaticContact CZ-CE1 3.82Å; F58-Y77 HydrophobicContact CZ-CE1 3.82Å; F58-Y77 AromaticContact CZ-CE2 3.07Å; F58-Y77 HydrophobicContact CZ-CE2 3.07Å; F58-Y77 HydrophobicContact CZ-CG 4.37Å; F58-Y77 AromaticContact CZ-CZ 3.1Å; F58-Y77 VanDerWaalsContact CZ-OH 3.22Å; F58-Y77 WeakPolarHBondContact CZ-OH 3.12Å; F58-Y110 HydrophobicContact CE1-CE1 4.07Å; F58-Y110 HydrophobicContact CZ-CD1 4.14Å; F58-Y110 HydrophobicContact CZ-CE1 4.03Å; F58-Y110 HydrophobicContact CZ-CG 4.45Å |
| 59 | G | 80.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -117.7 | -174 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E52 G55 F56 G57 D63 | E52-G59 CarbonylContact O-C 3.54Å; G55-G59 CarbonylContact C-O 3.54Å; G55-G59 WeakPolarHBondContact CA-O 3.46Å; G55-G59 PolarHBondContact N-O 3.07Å; G55-G59 VanDerWaalsContact N-O 3.1Å; F56-G59 PolarHBondContact N-O 3.46Å; F56-G59 PolarHBondContact O-N 3.31Å; G57-G59 VanDerWaalsContact C-N 3.3Å; G57-G59 PolarHBondContact O-N 3.28Å; G59-D63 WeakPolarHBondContact CA-OD2 3.36Å |
| 60 | S | 89 | Confident | 84.8 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | trans | -72.4 | 175.1 | 175.1 | 70.3 | 0 | 0 | 0 | 0 | 112.6 | G62 D63 E138 | S60-G62 PolarHBondContact O-N 2.96Å; S60-G62 PolarHBondContact OG-N 3.49Å; S60-G62 VanDerWaalsContact OG-N 3.11Å; S60-D63 WeakPolarHBondContact CB-OD2 3.49Å; S60-D63 PolarHBondContact N-OD2 3.08Å; S60-D63 PolarHBondContact O-N 3.22Å; S60-D63 VanDerWaalsContact O-N 3.16Å; S60-D63 PolarHBondContact OG-N 2.92Å; S60-D63 PolarHBondContact OG-OD2 3.36Å; S60-E138 VanDerWaalsContact C-OE1 3.3Å; S60-E138 WeakPolarHBondContact CA-OE1 3.22Å; S60-E138 WeakPolarHBondContact CB-OE1 3.36Å | ||
| 61 | V | 91.9 | Very high | 86.1 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -56.1 | -33.8 | 166.5 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | F54 D63 F126 R130 L134 E138 | F54-V61 HydrophobicContact CD2-CG2 3.45Å; F54-V61 VanDerWaalsContact CD2-CG2 3.45Å; F54-V61 HydrophobicContact CE2-CG2 3.52Å; F54-V61 HydrophobicContact CG-CG2 4.43Å; V61-D63 VanDerWaalsContact C-N 3.29Å; V61-D63 PolarHBondContact O-N 3.16Å; V61-F126 HydrophobicContact CB-CZ 4.33Å; V61-F126 HydrophobicContact CG1-CE1 4.12Å; V61-F126 HydrophobicContact CG1-CZ 3.67Å; V61-R130 HydrophobicContact CG1-CB 3.91Å; V61-R130 HydrophobicContact CG1-CG 3.49Å; V61-R130 VanDerWaalsContact CG1-CG 3.49Å; V61-L134 HydrophobicContact CG1-CB 4.19Å; V61-L134 HydrophobicContact CG2-CB 3.91Å; V61-E138 WeakPolarHBondContact CG2-OE1 3.39Å; V61-E138 PolarHBondContact N-OE1 3.04Å |
| 62 | G | 89.1 | Confident | 87.1 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 41% | 0.412 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -65.8 | -29.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S60 | S60-G62 PolarHBondContact O-N 2.96Å; S60-G62 PolarHBondContact OG-N 3.49Å; S60-G62 VanDerWaalsContact OG-N 3.11Å |
| 63 | D | 88.3 | Confident | 87.7 | Confident | 34 Ų | 34 | 28.4 Ų | 28.4 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -83.3 | -16.3 | -174.5 | -61.1 | -56 | 0 | 0 | 0 | 113.4 | G59 S60 V61 E65 Q66 M67 | G59-D63 WeakPolarHBondContact CA-OD2 3.36Å; S60-D63 WeakPolarHBondContact CB-OD2 3.49Å; S60-D63 PolarHBondContact N-OD2 3.08Å; S60-D63 PolarHBondContact O-N 3.22Å; S60-D63 VanDerWaalsContact O-N 3.16Å; S60-D63 PolarHBondContact OG-N 2.92Å; S60-D63 PolarHBondContact OG-OD2 3.36Å; V61-D63 VanDerWaalsContact C-N 3.29Å; V61-D63 PolarHBondContact O-N 3.16Å; D63-E65 VanDerWaalsContact C-N 3.33Å; D63-E65 PolarHBondContact O-N 3.43Å; D63-Q66 PolarHBondContact O-N 3.33Å; D63-Q66 VanDerWaalsContact O-N 3.16Å; D63-M67 WeakPolarHBondContact O-CB 3.39Å; D63-M67 PolarHBondContact O-N 3.22Å |
| 64 | V | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.5 | -41 | -172 | 172.6 | 0 | 0 | 0 | 0 | 112.8 | F56 M67 C68 L117 L123 F126 | F56-V64 HydrophobicContact CB-CG2 3.54Å; F56-V64 HydrophobicContact CD2-CG2 3.56Å; F56-V64 HydrophobicContact CE2-CG2 4.5Å; F56-V64 HydrophobicContact CG-CG2 3.75Å; V64-M67 HydrophobicContact CB-CE 4.3Å; V64-M67 HydrophobicContact CG1-CE 3.84Å; V64-M67 HydrophobicContact CG2-CE 4.48Å; V64-M67 WeakPolarHBondContact O-CB 3.38Å; V64-M67 PolarHBondContact O-N 2.82Å; V64-C68 WeakPolarHBondContact O-CB 3.09Å; V64-C68 PolarHBondContact O-N 3.3Å; V64-C68 PolarHBondContact O-SG 3.24Å; V64-C68 VanDerWaalsContact O-SG 3.35Å; V64-L117 HydrophobicContact CG1-CD2 3.84Å; V64-L117 HydrophobicContact CG1-CG 4.3Å; V64-L123 HydrophobicContact CG1-CD1 4.12Å; V64-F126 HydrophobicContact CB-CD1 4.35Å; V64-F126 HydrophobicContact CB-CE1 3.58Å; V64-F126 HydrophobicContact CB-CE2 4.49Å; V64-F126 HydrophobicContact CB-CZ 3.66Å; V64-F126 HydrophobicContact CG1-CD1 3.89Å; V64-F126 HydrophobicContact CG1-CE1 3.62Å; V64-F126 HydrophobicContact CG1-CE2 4.33Å; V64-F126 HydrophobicContact CG1-CG 4.37Å; V64-F126 HydrophobicContact CG1-CZ 3.85Å; V64-F126 HydrophobicContact CG2-CE1 3.89Å; V64-F126 HydrophobicContact CG2-CE2 4.01Å; V64-F126 HydrophobicContact CG2-CZ 3.39Å |
| 65 | E | 92.1 | Very high | 88 | Confident | 51 Ų | 51 | 34.8 Ų | 34.8 | 24% | 0.238 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 179 | -69.9 | -67.1 | 166.7 | 0 | 0 | 111.9 | D63 C68 R69 R127 | D63-E65 VanDerWaalsContact C-N 3.33Å; D63-E65 PolarHBondContact O-N 3.43Å; E65-C68 PolarHBondContact O-N 3.37Å; E65-R69 WeakPolarHBondContact O-CB 3.4Å; E65-R69 PolarHBondContact O-N 3.46Å; E65-R127 WeakPolarHBondContact OE1-CD 3.41Å; E65-R127 WeakPolarHBondContact OE1-CG 3.33Å; E65-R127 IonicContact OE1-CZ 3.86Å; E65-R127 IonicContact OE1-NE 3.72Å; E65-R127 PolarHBondContact OE1-NE 2.91Å; E65-R127 IonicContact OE1-NH2 3.11Å; E65-R127 PolarHBondContact OE1-NH2 2.05Å; E65-R127 IonicContact OE2-CZ 2.95Å; E65-R127 IonicContact OE2-NE 3.79Å; E65-R127 IonicContact OE2-NH2 3.13Å; E65-R127 PolarHBondContact OE2-NH2 3.41Å |
| 66 | Q | 89.8 | Confident | 88.1 | Confident | 92 Ų | 92 | 34.2 Ų | 34.2 | 43% | 0.43 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67 | -44.5 | 178.2 | -172.5 | 177.6 | 25.1 | 0 | 0 | 110.3 | D63 C68 R69 T70 | D63-Q66 PolarHBondContact O-N 3.33Å; D63-Q66 VanDerWaalsContact O-N 3.16Å; Q66-C68 VanDerWaalsContact C-N 3.3Å; Q66-C68 PolarHBondContact O-N 2.97Å; Q66-R69 PolarHBondContact O-N 2.91Å; Q66-T70 HydrophobicContact CG-CG2 4.37Å; Q66-T70 PolarHBondContact O-N 2.96Å; Q66-T70 PolarHBondContact O-OG1 3.09Å |
| 67 | M | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.2 | -45.9 | 173.6 | 178.9 | -76.2 | -60.7 | 0 | 0 | 111.3 | D63 V64 K71 H73 A114 L117 | D63-M67 WeakPolarHBondContact O-CB 3.39Å; D63-M67 PolarHBondContact O-N 3.22Å; V64-M67 HydrophobicContact CB-CE 4.3Å; V64-M67 HydrophobicContact CG1-CE 3.84Å; V64-M67 HydrophobicContact CG2-CE 4.48Å; V64-M67 WeakPolarHBondContact O-CB 3.38Å; V64-M67 PolarHBondContact O-N 2.82Å; M67-K71 WeakPolarHBondContact O-CA 3.19Å; M67-K71 PolarHBondContact O-N 3.43Å; M67-H73 VanDerWaalsContact CG-ND1 3.34Å; M67-H73 WeakPolarHBondContact CG-ND1 3.38Å; M67-H73 PolarHBondContact SD-CE1 3.39Å; M67-A114 HydrophobicContact SD-CB 4.01Å; M67-L117 HydrophobicContact CE-CD2 3.96Å |
| 68 | C | 94.2 | Very high | 89 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | 177 | -76.4 | 0 | 0 | 0 | 0 | 113.7 | V64 E65 Q66 C118 L123 | V64-C68 WeakPolarHBondContact O-CB 3.09Å; V64-C68 PolarHBondContact O-N 3.3Å; V64-C68 PolarHBondContact O-SG 3.24Å; V64-C68 VanDerWaalsContact O-SG 3.35Å; E65-C68 PolarHBondContact O-N 3.37Å; Q66-C68 VanDerWaalsContact C-N 3.3Å; Q66-C68 PolarHBondContact O-N 2.97Å; C68-C118 WeakPolarHBondContact CA-SG 2.95Å; C68-C118 HydrophobicContact CB-CB 3.61Å; C68-C118 WeakPolarHBondContact CB-SG 3.03Å; C68-C118 WeakPolarHBondContact SG-CA 3.06Å; C68-C118 WeakPolarHBondContact SG-CB 3.38Å; C68-C118 CovalentContact SG-SG 2.03Å; C68-C118 PolarHBondContact SG-SG 3.08Å; C68-L123 HydrophobicContact CB-CD2 4.44Å |
| 69 | R | 92.8 | Very high | 90 | Very high | 204 Ų | 204 | 38.2 Ų | 38.2 | 77% | 0.77 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -70.6 | -40.6 | -179.2 | 178.4 | 178.5 | 165.8 | -169.5 | -6.8 | 112.8 | E65 Q66 | E65-R69 WeakPolarHBondContact O-CB 3.4Å; E65-R69 PolarHBondContact O-N 3.46Å; Q66-R69 PolarHBondContact O-N 2.91Å |
| 70 | T | 91.3 | Very high | 90.3 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -110.4 | -18.8 | -168.1 | 67.7 | 0 | 0 | 0 | 0 | 113.7 | Q66 W72 K75 | Q66-T70 HydrophobicContact CG-CG2 4.37Å; Q66-T70 PolarHBondContact O-N 2.96Å; Q66-T70 PolarHBondContact O-OG1 3.09Å; T70-W72 PolarHBondContact O-N 3.18Å; T70-W72 WeakPolarHBondContact OG1-CB 3.33Å; T70-W72 PolarHBondContact OG1-N 3.12Å; T70-K75 WeakPolarHBondContact O-CE 3.44Å; T70-K75 PolarHBondContact O-NZ 3.33Å |
| 71 | K | 91.8 | Very high | 90.3 | Very high | 44 Ų | 44 | 39.3 Ų | 39.3 | 19% | 0.191 | 19% | 0.194 | C | C | . | . | trans | 50.7 | 35.6 | -170 | -58.4 | -71.8 | -178.7 | 159.6 | 0 | 111.6 | M67 H73 I74 K75 A114 N115 | M67-K71 WeakPolarHBondContact O-CA 3.19Å; M67-K71 PolarHBondContact O-N 3.43Å; K71-H73 VanDerWaalsContact C-N 3.29Å; K71-H73 PolarHBondContact O-N 3.12Å; K71-I74 HydrophobicContact CB-CD1 4.11Å; K71-I74 HydrophobicContact CD-CD1 4.05Å; K71-I74 HydrophobicContact CG-CD1 4.48Å; K71-I74 PolarHBondContact O-N 3.42Å; K71-K75 PolarHBondContact O-N 3.2Å; K71-A114 HydrophobicContact CD-CB 4Å; K71-A114 VanDerWaalsContact NZ-CB 3.33Å; K71-A114 PolarHBondContact NZ-O 3.23Å; K71-N115 PolarHBondContact NZ-OD1 3.44Å | ||
| 72 | W | 89.7 | Confident | 90.2 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | -171.8 | 66.4 | -95.5 | 0 | 0 | 0 | 112.4 | A42 V44 P48 G57 T70 I74 K75 V76 | A42-W72 HydrophobicContact CB-CB 4.44Å; V44-W72 HydrophobicContact CB-CE3 4.48Å; V44-W72 HydrophobicContact CG1-CE3 4.29Å; V44-W72 HydrophobicContact CG1-CZ3 4.48Å; V44-W72 HydrophobicContact CG2-CB 3.57Å; V44-W72 HydrophobicContact CG2-CD2 3.66Å; V44-W72 HydrophobicContact CG2-CE3 3.7Å; V44-W72 HydrophobicContact CG2-CG 3.63Å; P48-W72 HydrophobicContact CG-CH2 3.98Å; P48-W72 HydrophobicContact CG-CZ2 4.22Å; G57-W72 WeakPolarHBondContact O-CH2 3.29Å; G57-W72 WeakPolarHBondContact O-CZ2 3.49Å; T70-W72 PolarHBondContact O-N 3.18Å; T70-W72 WeakPolarHBondContact OG1-CB 3.33Å; T70-W72 PolarHBondContact OG1-N 3.12Å; W72-I74 VanDerWaalsContact C-N 3.3Å; W72-I74 PolarHBondContact O-N 3.42Å; W72-K75 WeakPolarHBondContact O-CB 3.5Å; W72-K75 PolarHBondContact O-N 3.17Å; W72-K75 VanDerWaalsContact O-N 3.07Å; W72-V76 HydrophobicContact CE3-CG2 3.95Å; W72-V76 HydrophobicContact CZ3-CG2 4.41Å; W72-V76 WeakPolarHBondContact O-CG2 3.41Å; W72-V76 PolarHBondContact O-N 3.32Å |
| 73 | H | 86.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -39.3 | -179.3 | 68.1 | -73.4 | 0 | 0 | 0 | 112.9 | G57 F58 M67 K71 V76 Y77 | G57-H73 VanDerWaalsContact O-CB 3.26Å; G57-H73 WeakPolarHBondContact O-CB 3.24Å; F58-H73 HydrophobicContact CD2-CB 3.69Å; F58-H73 HydrophobicContact CE2-CB 3.79Å; M67-H73 VanDerWaalsContact CG-ND1 3.34Å; M67-H73 WeakPolarHBondContact CG-ND1 3.38Å; M67-H73 PolarHBondContact SD-CE1 3.39Å; K71-H73 VanDerWaalsContact C-N 3.29Å; K71-H73 PolarHBondContact O-N 3.12Å; H73-V76 PolarHBondContact O-N 3.46Å; H73-Y77 PolarHBondContact O-N 2.95Å; H73-Y77 VanDerWaalsContact O-N 3.1Å |
| 74 | I | 90.9 | Very high | 89.9 | Confident | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -49.1 | 174.2 | -54.8 | 178.9 | 0 | 0 | 0 | 109.4 | K71 W72 V76 Y77 S78 T107 E111 A114 | K71-I74 HydrophobicContact CB-CD1 4.11Å; K71-I74 HydrophobicContact CD-CD1 4.05Å; K71-I74 HydrophobicContact CG-CD1 4.48Å; K71-I74 PolarHBondContact O-N 3.42Å; W72-I74 VanDerWaalsContact C-N 3.3Å; W72-I74 PolarHBondContact O-N 3.42Å; I74-V76 VanDerWaalsContact C-N 3.3Å; I74-V76 PolarHBondContact O-N 3.29Å; I74-Y77 PolarHBondContact O-N 3.24Å; I74-Y77 VanDerWaalsContact O-N 3.16Å; I74-S78 PolarHBondContact O-N 3.47Å; I74-S78 PolarHBondContact O-OG 3.18Å; I74-S78 VanDerWaalsContact O-OG 3.1Å; I74-T107 HydrophobicContact CG2-CG2 4.45Å; I74-E111 HydrophobicContact CD1-CB 3.82Å; I74-E111 HydrophobicContact CD1-CG 3.96Å; I74-A114 HydrophobicContact CD1-CB 4.39Å |
| 75 | K | 91.8 | Very high | 89.5 | Confident | 115 Ų | 115 | 44.4 Ų | 44.4 | 50% | 0.5 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.2 | -40.4 | 179.2 | -66.4 | 172.7 | 176.2 | 165.8 | 0 | 112.3 | A42 T70 K71 W72 C79 | A42-K75 HydrophobicContact CB-CB 4.27Å; T70-K75 WeakPolarHBondContact O-CE 3.44Å; T70-K75 PolarHBondContact O-NZ 3.33Å; K71-K75 PolarHBondContact O-N 3.2Å; W72-K75 WeakPolarHBondContact O-CB 3.5Å; W72-K75 PolarHBondContact O-N 3.17Å; W72-K75 VanDerWaalsContact O-N 3.07Å; K75-C79 WeakPolarHBondContact O-CB 3.41Å; K75-C79 PolarHBondContact O-N 2.9Å |
| 76 | V | 88.6 | Confident | 89.2 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L35 C38 A39 A42 I47 W72 H73 I74 C79 A80 | L35-V76 HydrophobicContact CD2-CG1 4.31Å; C38-V76 HydrophobicContact CB-CG1 4.2Å; A39-V76 HydrophobicContact CB-CG2 4.18Å; A42-V76 HydrophobicContact CB-CG2 3.93Å; I47-V76 HydrophobicContact CD1-CG1 4.49Å; W72-V76 HydrophobicContact CE3-CG2 3.95Å; W72-V76 HydrophobicContact CZ3-CG2 4.41Å; W72-V76 WeakPolarHBondContact O-CG2 3.41Å; W72-V76 PolarHBondContact O-N 3.32Å; H73-V76 PolarHBondContact O-N 3.46Å; I74-V76 VanDerWaalsContact C-N 3.3Å; I74-V76 PolarHBondContact O-N 3.29Å; V76-C79 PolarHBondContact O-N 3.41Å; V76-A80 WeakPolarHBondContact O-CB 3.23Å; V76-A80 PolarHBondContact O-N 2.94Å |
| 77 | Y | 87.1 | Confident | 88.8 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 21% | 0.208 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 178.1 | -93.2 | -121.7 | 0 | 0 | 0 | 112.5 | F58 H73 I74 C79 A80 Q81 F105 T107 Y110 | F58-Y77 HydrophobicContact CD1-CE2 4.41Å; F58-Y77 HydrophobicContact CD2-CD2 4.3Å; F58-Y77 AromaticContact CD2-CE2 3.75Å; F58-Y77 HydrophobicContact CD2-CE2 3.75Å; F58-Y77 HydrophobicContact CE1-CE1 4.44Å; F58-Y77 AromaticContact CE1-CE2 3.79Å; F58-Y77 HydrophobicContact CE1-CE2 3.79Å; F58-Y77 AromaticContact CE1-CZ 3.56Å; F58-Y77 WeakPolarHBondContact CE1-OH 3.47Å; F58-Y77 AromaticContact CE2-CD2 3.42Å; F58-Y77 HydrophobicContact CE2-CD2 3.42Å; F58-Y77 VanDerWaalsContact CE2-CD2 3.42Å; F58-Y77 HydrophobicContact CE2-CE1 4.48Å; F58-Y77 AromaticContact CE2-CE2 3.02Å; F58-Y77 HydrophobicContact CE2-CE2 3.02Å; F58-Y77 HydrophobicContact CE2-CG 4.31Å; F58-Y77 AromaticContact CE2-CZ 3.64Å; F58-Y77 HydrophobicContact CG-CE2 4.4Å; F58-Y77 HydrophobicContact CZ-CD1 4.4Å; F58-Y77 AromaticContact CZ-CD2 3.75Å; F58-Y77 HydrophobicContact CZ-CD2 3.75Å; F58-Y77 AromaticContact CZ-CE1 3.82Å; F58-Y77 HydrophobicContact CZ-CE1 3.82Å; F58-Y77 AromaticContact CZ-CE2 3.07Å; F58-Y77 HydrophobicContact CZ-CE2 3.07Å; F58-Y77 HydrophobicContact CZ-CG 4.37Å; F58-Y77 AromaticContact CZ-CZ 3.1Å; F58-Y77 VanDerWaalsContact CZ-OH 3.22Å; F58-Y77 WeakPolarHBondContact CZ-OH 3.12Å; H73-Y77 PolarHBondContact O-N 2.95Å; H73-Y77 VanDerWaalsContact O-N 3.1Å; I74-Y77 PolarHBondContact O-N 3.24Å; I74-Y77 VanDerWaalsContact O-N 3.16Å; Y77-C79 VanDerWaalsContact C-N 3.3Å; Y77-C79 PolarHBondContact O-N 3.18Å; Y77-A80 PolarHBondContact O-N 3.2Å; Y77-Q81 WeakPolarHBondContact O-CB 3.23Å; Y77-Q81 PolarHBondContact O-N 3.16Å; Y77-F105 HydrophobicContact CD1-CD1 4.13Å; Y77-T107 VanDerWaalsContact CB-CG2 3.49Å; Y77-T107 HydrophobicContact CG-CG2 4.46Å; Y77-Y110 HydrophobicContact CD1-CE2 4.46Å; Y77-Y110 HydrophobicContact CE1-CE2 4.19Å |
| 78 | S | 91.2 | Very high | 88.2 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.4 | -38.9 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | I74 Q81 L82 | I74-S78 PolarHBondContact O-N 3.47Å; I74-S78 PolarHBondContact O-OG 3.18Å; I74-S78 VanDerWaalsContact O-OG 3.1Å; S78-Q81 WeakPolarHBondContact O-CB 3.46Å; S78-L82 WeakPolarHBondContact O-CG 3.5Å; S78-L82 PolarHBondContact O-N 3.19Å |
| 79 | C | 91.8 | Very high | 87.1 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 19% | 0.189 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 173.4 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | C38 K75 V76 Y77 Q81 L82 T83 | C38-C79 WeakPolarHBondContact CA-SG 3.3Å; C38-C79 HydrophobicContact CB-CB 3.56Å; C38-C79 WeakPolarHBondContact CB-SG 3.47Å; C38-C79 WeakPolarHBondContact SG-CB 3.23Å; C38-C79 CovalentContact SG-SG 2.04Å; C38-C79 PolarHBondContact SG-SG 3.17Å; K75-C79 WeakPolarHBondContact O-CB 3.41Å; K75-C79 PolarHBondContact O-N 2.9Å; V76-C79 PolarHBondContact O-N 3.41Å; Y77-C79 VanDerWaalsContact C-N 3.3Å; Y77-C79 PolarHBondContact O-N 3.18Å; C79-Q81 VanDerWaalsContact C-N 3.3Å; C79-Q81 PolarHBondContact O-N 3.33Å; C79-L82 PolarHBondContact O-N 3.18Å; C79-T83 WeakPolarHBondContact O-CB 3.42Å; C79-T83 PolarHBondContact O-N 3.33Å; C79-T83 PolarHBondContact O-OG1 2.94Å |
| 80 | A | 87.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L30 L35 C38 V76 Y77 T83 I84 F105 | L30-A80 HydrophobicContact CD1-CB 4.24Å; L35-A80 HydrophobicContact CD2-CB 3.73Å; C38-A80 PolarHBondContact SG-N 3.11Å; V76-A80 WeakPolarHBondContact O-CB 3.23Å; V76-A80 PolarHBondContact O-N 2.94Å; Y77-A80 PolarHBondContact O-N 3.2Å; A80-T83 PolarHBondContact O-N 3.14Å; A80-I84 WeakPolarHBondContact O-CG2 3.35Å; A80-I84 PolarHBondContact O-N 3.49Å; A80-F105 HydrophobicContact CB-CE1 3.97Å; A80-F105 HydrophobicContact CB-CZ 4.48Å |
| 81 | Q | 88.3 | Confident | 84.1 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57 | -50 | 172.5 | -171.4 | -179.3 | 16.1 | 0 | 0 | 111.9 | Y77 S78 C79 T83 I84 L85 F105 | Y77-Q81 WeakPolarHBondContact O-CB 3.23Å; Y77-Q81 PolarHBondContact O-N 3.16Å; S78-Q81 WeakPolarHBondContact O-CB 3.46Å; C79-Q81 VanDerWaalsContact C-N 3.3Å; C79-Q81 PolarHBondContact O-N 3.33Å; Q81-T83 VanDerWaalsContact C-N 3.35Å; Q81-T83 PolarHBondContact O-N 3.06Å; Q81-I84 VanDerWaalsContact O-CG2 3.24Å; Q81-I84 WeakPolarHBondContact O-CG2 3.29Å; Q81-I84 PolarHBondContact O-N 3.47Å; Q81-L85 HydrophobicContact CG-CD1 3.79Å; Q81-L85 HydrophobicContact CG-CG 4.37Å; Q81-L85 VanDerWaalsContact O-CB 3.28Å; Q81-L85 WeakPolarHBondContact O-CB 3.36Å; Q81-L85 WeakPolarHBondContact O-CG 3.4Å; Q81-L85 PolarHBondContact O-N 2.04Å; Q81-F105 HydrophobicContact CB-CB 3.67Å; Q81-F105 HydrophobicContact CB-CD1 4.47Å; Q81-F105 HydrophobicContact CB-CG 4.02Å; Q81-F105 HydrophobicContact CG-CB 3.63Å; Q81-F105 HydrophobicContact CG-CG 4.29Å |
| 82 | L | 89.5 | Confident | 82.1 | Confident | 104 Ų | 104 | 48.4 Ų | 48.4 | 55% | 0.545 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 179.1 | -70.6 | 173.2 | 0 | 0 | 0 | 111.4 | S78 C79 N86 | S78-L82 WeakPolarHBondContact O-CG 3.5Å; S78-L82 PolarHBondContact O-N 3.19Å; C79-L82 PolarHBondContact O-N 3.18Å; L82-N86 WeakPolarHBondContact O-CB 3.31Å; L82-N86 PolarHBondContact O-N 3.42Å; L82-N86 PolarHBondContact O-ND2 2.93Å; L82-N86 VanDerWaalsContact O-ND2 3.16Å |
| 83 | T | 88.2 | Confident | 80.5 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 31% | 0.307 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 177.6 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | D34 C79 A80 Q81 R87 | D34-T83 HydrophobicContact CB-CG2 4.11Å; C79-T83 WeakPolarHBondContact O-CB 3.42Å; C79-T83 PolarHBondContact O-N 3.33Å; C79-T83 PolarHBondContact O-OG1 2.94Å; A80-T83 PolarHBondContact O-N 3.14Å; Q81-T83 VanDerWaalsContact C-N 3.35Å; Q81-T83 PolarHBondContact O-N 3.06Å; T83-R87 WeakPolarHBondContact O-CB 3.39Å; T83-R87 PolarHBondContact O-N 3.38Å |
| 84 | I | 83.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68 | -44 | -179.8 | -170.6 | 64.2 | 0 | 0 | 0 | 111.4 | V29 A80 Q81 N86 R87 C88 W101 F105 | V29-I84 VanDerWaalsContact C-CD1 3.47Å; V29-I84 WeakPolarHBondContact O-CD1 3.34Å; A80-I84 WeakPolarHBondContact O-CG2 3.35Å; A80-I84 PolarHBondContact O-N 3.49Å; Q81-I84 VanDerWaalsContact O-CG2 3.24Å; Q81-I84 WeakPolarHBondContact O-CG2 3.29Å; Q81-I84 PolarHBondContact O-N 3.47Å; I84-N86 PolarHBondContact O-N 3.17Å; I84-R87 PolarHBondContact O-N 3.36Å; I84-C88 WeakPolarHBondContact O-CB 3.44Å; I84-C88 PolarHBondContact O-N 3.02Å; I84-C88 PolarHBondContact O-SG 3.43Å; I84-W101 HydrophobicContact CD1-CZ2 4.11Å; I84-W101 HydrophobicContact CG1-CD2 3.95Å; I84-W101 HydrophobicContact CG1-CG 4.21Å; I84-W101 HydrophobicContact CG1-CZ2 3.93Å; I84-W101 HydrophobicContact CG2-CD2 4.41Å; I84-W101 HydrophobicContact CG2-CG 4.36Å; I84-F105 HydrophobicContact CG2-CD2 4.15Å; I84-F105 HydrophobicContact CG2-CE2 3.81Å |
| 85 | L | 83.7 | Confident | 78.9 | Confident | 28 Ų | 28 | 55 Ų | 55 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 179.3 | -70.5 | 177.1 | 0 | 0 | 0 | 111.3 | Q81 C88 S89 W101 Q102 | Q81-L85 HydrophobicContact CG-CD1 3.79Å; Q81-L85 HydrophobicContact CG-CG 4.37Å; Q81-L85 VanDerWaalsContact O-CB 3.28Å; Q81-L85 WeakPolarHBondContact O-CB 3.36Å; Q81-L85 WeakPolarHBondContact O-CG 3.4Å; Q81-L85 PolarHBondContact O-N 2.04Å; L85-C88 PolarHBondContact O-N 2.94Å; L85-S89 WeakPolarHBondContact O-CA 3.42Å; L85-S89 WeakPolarHBondContact O-CB 3.43Å; L85-S89 PolarHBondContact O-N 2.93Å; L85-W101 HydrophobicContact CD2-CB 3.85Å; L85-Q102 HydrophobicContact CD1-CG 4.31Å |
| 86 | N | 84.9 | Confident | 78.3 | Confident | 112 Ų | 112 | 50 Ų | 50 | 60% | 0.599 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.9 | -34.1 | 176.2 | -72.1 | -23.3 | 0 | 0 | 0 | 112.7 | L82 I84 P90 | L82-N86 WeakPolarHBondContact O-CB 3.31Å; L82-N86 PolarHBondContact O-N 3.42Å; L82-N86 PolarHBondContact O-ND2 2.93Å; L82-N86 VanDerWaalsContact O-ND2 3.16Å; I84-N86 PolarHBondContact O-N 3.17Å; N86-P90 WeakPolarHBondContact O-CD 3.33Å |
| 87 | R | 82.4 | Confident | 77.8 | Confident | 53 Ų | 53 | 51 Ų | 51 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 174 | 179.3 | 166.7 | 60.5 | -129.5 | -11.4 | 111.5 | N26 D27 V29 D34 T83 I84 | N26-R87 HydrophobicContact CB-CG 4.15Å; D27-R87 PolarHBondContact O-NE 3.49Å; D27-R87 VanDerWaalsContact O-NE 3.08Å; V29-R87 PolarHBondContact O-NH2 3.22Å; D34-R87 IonicContact OD1-CZ 3.9Å; D34-R87 IonicContact OD1-NH1 3.5Å; D34-R87 PolarHBondContact OD1-NH1 3.14Å; D34-R87 IonicContact OD1-NH2 3.52Å; D34-R87 IonicContact OD2-CZ 3.44Å; D34-R87 IonicContact OD2-NH1 3.47Å; D34-R87 PolarHBondContact OD2-NH1 3.21Å; D34-R87 IonicContact OD2-NH2 3.56Å; D34-R87 PolarHBondContact OD2-NH2 2.9Å; T83-R87 WeakPolarHBondContact O-CB 3.39Å; T83-R87 PolarHBondContact O-N 3.38Å; I84-R87 PolarHBondContact O-N 3.36Å |
| 88 | C | 76.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -82.6 | -32.3 | -177.3 | -61.5 | 0 | 0 | 0 | 0 | 113.2 | C28 I84 L85 P90 E91 T93 | C28-C88 VanDerWaalsContact CA-SG 3.5Å; C28-C88 HydrophobicContact CB-CB 4.07Å; C28-C88 WeakPolarHBondContact CB-SG 3.33Å; C28-C88 WeakPolarHBondContact SG-CB 3.4Å; C28-C88 CovalentContact SG-SG 2.03Å; C28-C88 PolarHBondContact SG-SG 3.4Å; I84-C88 WeakPolarHBondContact O-CB 3.44Å; I84-C88 PolarHBondContact O-N 3.02Å; I84-C88 PolarHBondContact O-SG 3.43Å; L85-C88 PolarHBondContact O-N 2.94Å; C88-P90 VanDerWaalsContact C-CD 3.46Å; C88-E91 PolarHBondContact O-N 3.46Å; C88-T93 HydrophobicContact CB-CG2 4.1Å; C88-T93 WeakPolarHBondContact O-CB 3.39Å; C88-T93 VanDerWaalsContact O-CG2 3.29Å; C88-T93 WeakPolarHBondContact O-CG2 3.49Å; C88-T93 PolarHBondContact O-OG1 3.29Å |
| 89 | S | 71 | Confident | 77.1 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -32.9 | -171.3 | -175.9 | 0 | 0 | 0 | 0 | 117.2 | L85 E91 | L85-S89 WeakPolarHBondContact O-CA 3.42Å; L85-S89 WeakPolarHBondContact O-CB 3.43Å; L85-S89 PolarHBondContact O-N 2.93Å; S89-E91 VanDerWaalsContact C-N 3.32Å |
| 90 | P | 64.3 | Low | 76.9 | Confident | 107 Ų | 107 | 49.1 Ų | 49.1 | 70% | 0.695 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -23.5 | -179.2 | -17.8 | 31.3 | 0 | 0 | 0 | 113.4 | N86 C88 | N86-P90 WeakPolarHBondContact O-CD 3.33Å; C88-P90 VanDerWaalsContact C-CD 3.46Å |
| 91 | E | 56 | Low | 76.8 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 152.7 | 173.8 | -71.7 | -178.3 | 176.5 | 0 | 0 | 108.2 | N26 C88 S89 T93 | N26-E91 WeakPolarHBondContact CB-OE1 3.2Å; N26-E91 PolarHBondContact N-OE1 3.3Å; N26-E91 PolarHBondContact ND2-OE1 3.4Å; C88-E91 PolarHBondContact O-N 3.46Å; S89-E91 VanDerWaalsContact C-N 3.32Å; E91-T93 HydrophobicContact CB-CG2 3.74Å; E91-T93 PolarHBondContact O-N 2.8Å; E91-T93 PolarHBondContact O-OG1 3.44Å |
| 92 | S | 51.1 | Low | 76.7 | Confident | 124 Ų | 124 | 53.7 Ų | 53.7 | 87% | 0.867 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 35.4 | 160.9 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | S94 | S92-S94 PolarHBondContact O-N 3.47Å; S92-S94 VanDerWaalsContact O-N 3.08Å |
| 93 | T | 56 | Low | 76.6 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | trans | -55.5 | 119.4 | 171.9 | 53.4 | 0 | 0 | 0 | 0 | 106.4 | C28 C88 E91 H95 | C28-T93 HydrophobicContact CB-CG2 4.14Å; C88-T93 HydrophobicContact CB-CG2 4.1Å; C88-T93 WeakPolarHBondContact O-CB 3.39Å; C88-T93 VanDerWaalsContact O-CG2 3.29Å; C88-T93 WeakPolarHBondContact O-CG2 3.49Å; C88-T93 PolarHBondContact O-OG1 3.29Å; E91-T93 HydrophobicContact CB-CG2 3.74Å; E91-T93 PolarHBondContact O-N 2.8Å; E91-T93 PolarHBondContact O-OG1 3.44Å; T93-H95 PolarHBondContact O-N 2.95Å | ||
| 94 | S | 67.1 | Low | 76.5 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | trans | -45.8 | 134.3 | -175.5 | 35.7 | 0 | 0 | 0 | 0 | 110 | S92 F96 R97 E322 | S92-S94 PolarHBondContact O-N 3.47Å; S92-S94 VanDerWaalsContact O-N 3.08Å; S94-F96 CarbonylContact O-C 3.48Å; S94-F96 PolarHBondContact O-N 3.35Å; S94-R97 PolarHBondContact O-N 2.85Å; S94-E322 VanDerWaalsContact CB-OE1 3.31Å; S94-E322 WeakPolarHBondContact CB-OE1 3.44Å; S94-E322 PolarHBondContact OG-OE1 3.44Å | ||
| 95 | H | 77 | Confident | 76.5 | Confident | 121 Ų | 121 | 50.1 Ų | 50.1 | 56% | 0.56 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -38.4 | -38.1 | 172.8 | 178.5 | 50.3 | 0 | 0 | 0 | 112.3 | T93 R97 N98 I99 D171 | T93-H95 PolarHBondContact O-N 2.95Å; H95-R97 PolarHBondContact O-N 3.5Å; H95-N98 PolarHBondContact O-N 2.9Å; H95-I99 WeakPolarHBondContact NE2-CD1 3.41Å; H95-I99 WeakPolarHBondContact O-CG1 3.31Å; H95-I99 PolarHBondContact O-N 3.49Å; H95-D171 IonicContact CD2-OD1 3.21Å; H95-D171 PolarHBondContact CD2-OD1 3.49Å; H95-D171 IonicContact CD2-OD2 3.85Å; H95-D171 IonicContact NE2-OD1 2.98Å |
| 96 | F | 79.1 | Confident | 76.7 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -39 | -57.4 | 164.5 | -178.6 | -99.1 | 0 | 0 | 0 | 116 | S94 N98 I99 M100 A170 Y173 A174 M177 V318 | S94-F96 CarbonylContact O-C 3.48Å; S94-F96 PolarHBondContact O-N 3.35Å; F96-N98 VanDerWaalsContact C-N 3.33Å; F96-N98 PolarHBondContact O-N 2.9Å; F96-I99 WeakPolarHBondContact O-CB 3.4Å; F96-I99 PolarHBondContact O-N 3.35Å; F96-M100 HydrophobicContact CE1-CG 4.21Å; F96-M100 HydrophobicContact CE2-CG 4.26Å; F96-M100 HydrophobicContact CZ-CG 4.07Å; F96-M100 WeakPolarHBondContact O-CG 3.32Å; F96-M100 PolarHBondContact O-N 3.09Å; F96-A170 HydrophobicContact CB-CB 4.06Å; F96-A170 HydrophobicContact CD2-CB 4.29Å; F96-A170 VanDerWaalsContact CD2-O 3.23Å; F96-A170 WeakPolarHBondContact CD2-O 3.22Å; F96-A170 HydrophobicContact CG-CB 4.49Å; F96-Y173 AromaticContact CE2-CD1 3.64Å; F96-Y173 HydrophobicContact CE2-CD1 3.64Å; F96-Y173 HydrophobicContact CE2-CE1 4.35Å; F96-Y173 HydrophobicContact CE2-CG 4.36Å; F96-Y173 AromaticContact CZ-CD1 3.79Å; F96-Y173 HydrophobicContact CZ-CD1 3.79Å; F96-Y173 HydrophobicContact CZ-CE1 4.06Å; F96-A174 HydrophobicContact CD2-CB 3.64Å; F96-A174 HydrophobicContact CE2-CB 3.79Å; F96-M177 HydrophobicContact CE2-SD 4.06Å; F96-M177 HydrophobicContact CZ-SD 3.52Å; F96-M177 VanDerWaalsContact CZ-SD 3.52Å; F96-V318 HydrophobicContact CD1-CG1 4.3Å; F96-V318 HydrophobicContact CE1-CG1 4.3Å |
| 97 | R | 77.7 | Confident | 76.9 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | -177.3 | -55.2 | -157.2 | -175.6 | -146.2 | -6.4 | 111 | C28 S94 H95 I99 M100 W101 V318 | C28-R97 VanDerWaalsContact SG-CD 3.58Å; S94-R97 PolarHBondContact O-N 2.85Å; H95-R97 PolarHBondContact O-N 3.5Å; R97-I99 VanDerWaalsContact C-N 3.34Å; R97-I99 PolarHBondContact O-N 3.08Å; R97-M100 PolarHBondContact O-N 3.48Å; R97-W101 WeakPolarHBondContact O-CB 3.22Å; R97-W101 PolarHBondContact O-N 2.92Å; R97-V318 VanDerWaalsContact CD-CG1 3.42Å; R97-V318 HydrophobicContact CG-CG1 3.44Å; R97-V318 VanDerWaalsContact CG-CG1 3.44Å; R97-V318 VanDerWaalsContact CZ-CB 3.47Å; R97-V318 PolarHBondContact NH2-O 3.39Å |
| 98 | N | 80.5 | Confident | 77.3 | Confident | 37 Ų | 37 | 48 Ų | 48 | 20% | 0.198 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 179.5 | -71.7 | -31.9 | 0 | 0 | 0 | 111 | H95 F96 M100 W101 Q102 | H95-N98 PolarHBondContact O-N 2.9Å; F96-N98 VanDerWaalsContact C-N 3.33Å; F96-N98 PolarHBondContact O-N 2.9Å; N98-M100 PolarHBondContact O-N 3.37Å; N98-W101 PolarHBondContact O-N 3.4Å; N98-Q102 WeakPolarHBondContact O-CB 3.44Å; N98-Q102 VanDerWaalsContact O-CG 3.24Å; N98-Q102 WeakPolarHBondContact O-CG 3.49Å; N98-Q102 PolarHBondContact O-N 3.32Å |
| 99 | I | 83.7 | Confident | 78 | Confident | 29 Ų | 29 | 49 Ų | 49 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 173.3 | -68.4 | 166.2 | 0 | 0 | 0 | 110.8 | H95 F96 R97 Q102 F103 A174 K178 | H95-I99 WeakPolarHBondContact NE2-CD1 3.41Å; H95-I99 WeakPolarHBondContact O-CG1 3.31Å; H95-I99 PolarHBondContact O-N 3.49Å; F96-I99 WeakPolarHBondContact O-CB 3.4Å; F96-I99 PolarHBondContact O-N 3.35Å; R97-I99 VanDerWaalsContact C-N 3.34Å; R97-I99 PolarHBondContact O-N 3.08Å; I99-Q102 PolarHBondContact O-N 2.95Å; I99-F103 WeakPolarHBondContact O-CB 3.1Å; I99-F103 PolarHBondContact O-N 3.45Å; I99-A174 HydrophobicContact CG2-CB 4.16Å; I99-K178 HydrophobicContact CG2-CD 4.02Å |
| 100 | M | 86.4 | Confident | 78.9 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.054 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.8 | -40.1 | -177.4 | -69.9 | -52 | -58.4 | 0 | 0 | 112.2 | F96 R97 N98 F103 I104 A174 M177 K178 L181 | F96-M100 HydrophobicContact CE1-CG 4.21Å; F96-M100 HydrophobicContact CE2-CG 4.26Å; F96-M100 HydrophobicContact CZ-CG 4.07Å; F96-M100 WeakPolarHBondContact O-CG 3.32Å; F96-M100 PolarHBondContact O-N 3.09Å; R97-M100 PolarHBondContact O-N 3.48Å; N98-M100 PolarHBondContact O-N 3.37Å; M100-F103 HydrophobicContact CE-CD1 4.43Å; M100-F103 PolarHBondContact O-N 3.09Å; M100-I104 WeakPolarHBondContact O-CB 3.47Å; M100-I104 VanDerWaalsContact O-CG1 3.27Å; M100-I104 WeakPolarHBondContact O-CG1 3.39Å; M100-I104 PolarHBondContact O-N 3.32Å; M100-A174 HydrophobicContact SD-CB 4.14Å; M100-M177 HydrophobicContact CE-CB 3.8Å; M100-M177 HydrophobicContact CE-CE 4Å; M100-M177 HydrophobicContact CE-SD 4.3Å; M100-M177 HydrophobicContact SD-CB 4.05Å; M100-M177 HydrophobicContact SD-SD 4.47Å; M100-K178 HydrophobicContact SD-CG 4.09Å; M100-L181 HydrophobicContact CE-CD1 3.77Å |
| 101 | W | 85.2 | Confident | 80.3 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.4 | -42.2 | 175.9 | -73.5 | 134.7 | 0 | 0 | 0 | 112.6 | L30 I84 L85 R97 N98 F103 I104 F105 L315 | L30-W101 HydrophobicContact CB-CH2 4.13Å; L30-W101 HydrophobicContact CB-CZ3 4.46Å; I84-W101 HydrophobicContact CD1-CZ2 4.11Å; I84-W101 HydrophobicContact CG1-CD2 3.95Å; I84-W101 HydrophobicContact CG1-CG 4.21Å; I84-W101 HydrophobicContact CG1-CZ2 3.93Å; I84-W101 HydrophobicContact CG2-CD2 4.41Å; I84-W101 HydrophobicContact CG2-CG 4.36Å; L85-W101 HydrophobicContact CD2-CB 3.85Å; R97-W101 WeakPolarHBondContact O-CB 3.22Å; R97-W101 PolarHBondContact O-N 2.92Å; N98-W101 PolarHBondContact O-N 3.4Å; W101-F103 VanDerWaalsContact C-N 3.25Å; W101-F103 PolarHBondContact O-N 3.35Å; W101-I104 HydrophobicContact CE3-CD1 4.17Å; W101-I104 HydrophobicContact CZ3-CD1 4.26Å; W101-I104 PolarHBondContact O-N 3.11Å; W101-F105 HydrophobicContact CD2-CE2 4.3Å; W101-F105 AromaticContact CE3-CD2 3.84Å; W101-F105 HydrophobicContact CE3-CD2 3.84Å; W101-F105 AromaticContact CE3-CE2 3.38Å; W101-F105 HydrophobicContact CE3-CE2 3.38Å; W101-F105 HydrophobicContact CE3-CZ 4.5Å; W101-F105 HydrophobicContact CZ3-CD2 4.48Å; W101-F105 AromaticContact CZ3-CE2 3.66Å; W101-F105 HydrophobicContact CZ3-CE2 3.66Å; W101-F105 HydrophobicContact CZ3-CZ 4.41Å; W101-F105 WeakPolarHBondContact O-CB 3Å; W101-F105 WeakPolarHBondContact O-CD2 3.39Å; W101-F105 PolarHBondContact O-N 2.85Å; W101-L315 HydrophobicContact CH2-CD2 3.84Å; W101-L315 HydrophobicContact CZ2-CD2 3.65Å |
| 102 | Q | 86.2 | Confident | 82.1 | Confident | 111 Ų | 111 | 48.8 Ų | 48.8 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 173.5 | -74.4 | 174.5 | -0.7 | 0 | 0 | 111.9 | L85 N98 I99 D106 | L85-Q102 HydrophobicContact CD1-CG 4.31Å; N98-Q102 WeakPolarHBondContact O-CB 3.44Å; N98-Q102 VanDerWaalsContact O-CG 3.24Å; N98-Q102 WeakPolarHBondContact O-CG 3.49Å; N98-Q102 PolarHBondContact O-N 3.32Å; I99-Q102 PolarHBondContact O-N 2.95Å; Q102-D106 PolarHBondContact O-N 2.94Å |
| 103 | F | 87.1 | Confident | 84.1 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.6 | -45.7 | 176.8 | 174 | -100.1 | 0 | 0 | 0 | 113 | I99 M100 W101 D106 K178 L181 R182 Y185 | I99-F103 WeakPolarHBondContact O-CB 3.1Å; I99-F103 PolarHBondContact O-N 3.45Å; M100-F103 HydrophobicContact CE-CD1 4.43Å; M100-F103 PolarHBondContact O-N 3.09Å; W101-F103 VanDerWaalsContact C-N 3.25Å; W101-F103 PolarHBondContact O-N 3.35Å; F103-D106 PolarHBondContact O-N 3.01Å; F103-K178 HydrophobicContact CB-CD 4.26Å; F103-K178 HydrophobicContact CB-CG 4.19Å; F103-K178 HydrophobicContact CD1-CG 4.04Å; F103-K178 HydrophobicContact CD2-CB 4.47Å; F103-K178 HydrophobicContact CD2-CD 4.22Å; F103-K178 HydrophobicContact CD2-CG 3.96Å; F103-K178 HydrophobicContact CE1-CG 4.49Å; F103-K178 HydrophobicContact CE2-CB 4.46Å; F103-K178 HydrophobicContact CE2-CG 4.42Å; F103-K178 HydrophobicContact CG-CD 4.21Å; F103-K178 HydrophobicContact CG-CG 3.76Å; F103-L181 HydrophobicContact CD1-CD1 4.13Å; F103-L181 HydrophobicContact CE1-CB 3.59Å; F103-L181 HydrophobicContact CE1-CD1 3.69Å; F103-L181 HydrophobicContact CE1-CG 4.31Å; F103-L181 HydrophobicContact CZ-CB 4.01Å; F103-R182 HydrophobicContact CE2-CG 3.75Å; F103-R182 HydrophobicContact CZ-CG 3.71Å; F103-Y185 HydrophobicContact CE1-CE2 4.43Å |
| 104 | I | 85.9 | Confident | 86 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 20% | 0.2 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.1 | -37.9 | -177.3 | -71 | 165.1 | 0 | 0 | 0 | 111.5 | M100 W101 Y156 | M100-I104 WeakPolarHBondContact O-CB 3.47Å; M100-I104 VanDerWaalsContact O-CG1 3.27Å; M100-I104 WeakPolarHBondContact O-CG1 3.39Å; M100-I104 PolarHBondContact O-N 3.32Å; W101-I104 HydrophobicContact CE3-CD1 4.17Å; W101-I104 HydrophobicContact CZ3-CD1 4.26Å; W101-I104 PolarHBondContact O-N 3.11Å; I104-Y156 HydrophobicContact CD1-CE1 4.2Å; I104-Y156 HydrophobicContact CG1-CE1 4.26Å |
| 105 | F | 85.5 | Confident | 87.4 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 15.9 | -177.7 | -71.7 | -74.3 | 0 | 0 | 0 | 114.1 | L30 Y77 A80 Q81 I84 W101 T107 | L30-F105 HydrophobicContact CB-CZ 4.42Å; L30-F105 HydrophobicContact CD1-CE1 4.5Å; L30-F105 HydrophobicContact CD1-CZ 3.78Å; L30-F105 HydrophobicContact CD2-CE1 4.19Å; L30-F105 HydrophobicContact CD2-CZ 3.61Å; L30-F105 HydrophobicContact CG-CZ 4.11Å; Y77-F105 HydrophobicContact CD1-CD1 4.13Å; A80-F105 HydrophobicContact CB-CE1 3.97Å; A80-F105 HydrophobicContact CB-CZ 4.48Å; Q81-F105 HydrophobicContact CB-CB 3.67Å; Q81-F105 HydrophobicContact CB-CD1 4.47Å; Q81-F105 HydrophobicContact CB-CG 4.02Å; Q81-F105 HydrophobicContact CG-CB 3.63Å; Q81-F105 HydrophobicContact CG-CG 4.29Å; I84-F105 HydrophobicContact CG2-CD2 4.15Å; I84-F105 HydrophobicContact CG2-CE2 3.81Å; W101-F105 HydrophobicContact CD2-CE2 4.3Å; W101-F105 AromaticContact CE3-CD2 3.84Å; W101-F105 HydrophobicContact CE3-CD2 3.84Å; W101-F105 AromaticContact CE3-CE2 3.38Å; W101-F105 HydrophobicContact CE3-CE2 3.38Å; W101-F105 HydrophobicContact CE3-CZ 4.5Å; W101-F105 HydrophobicContact CZ3-CD2 4.48Å; W101-F105 AromaticContact CZ3-CE2 3.66Å; W101-F105 HydrophobicContact CZ3-CE2 3.66Å; W101-F105 HydrophobicContact CZ3-CZ 4.41Å; W101-F105 WeakPolarHBondContact O-CB 3Å; W101-F105 WeakPolarHBondContact O-CD2 3.39Å; W101-F105 PolarHBondContact O-N 2.85Å; F105-T107 PolarHBondContact O-N 3.28Å |
| 106 | D | 86.9 | Confident | 88.3 | Confident | 70 Ų | 70 | 40.9 Ų | 40.9 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | trans | -60.9 | 109.2 | 172 | 179.4 | 12.9 | 0 | 0 | 0 | 110 | Q102 F103 T108 P109 | Q102-D106 PolarHBondContact O-N 2.94Å; F103-D106 PolarHBondContact O-N 3.01Å; D106-T108 VanDerWaalsContact C-N 3.3Å; D106-T108 WeakPolarHBondContact OD1-CB 3.41Å; D106-T108 PolarHBondContact OD1-N 3.1Å; D106-T108 PolarHBondContact OD1-OG1 2.99Å; D106-P109 WeakPolarHBondContact O-CD 2.86Å | ||
| 107 | T | 89.4 | Confident | 89.1 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | trans | -81.7 | -10.3 | -179.1 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | I74 Y77 F105 P109 Y110 E111 | I74-T107 HydrophobicContact CG2-CG2 4.45Å; Y77-T107 VanDerWaalsContact CB-CG2 3.49Å; Y77-T107 HydrophobicContact CG-CG2 4.46Å; F105-T107 PolarHBondContact O-N 3.28Å; T107-P109 VanDerWaalsContact C-CD 3.49Å; T107-Y110 PolarHBondContact O-N 3.49Å; T107-Y110 VanDerWaalsContact O-N 3.1Å; T107-E111 PolarHBondContact O-N 3.48Å | ||
| 108 | T | 91.2 | Very high | 90 | Very high | 61 Ų | 61 | 40.6 Ų | 40.6 | 37% | 0.374 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -53.9 | -44.4 | -172.9 | -52.2 | 0 | 0 | 0 | 0 | 113.1 | D106 E111 K112 | D106-T108 VanDerWaalsContact C-N 3.3Å; D106-T108 WeakPolarHBondContact OD1-CB 3.41Å; D106-T108 PolarHBondContact OD1-N 3.1Å; D106-T108 PolarHBondContact OD1-OG1 2.99Å; T108-E111 PolarHBondContact O-N 2.79Å; T108-K112 WeakPolarHBondContact O-CG 3.45Å; T108-K112 PolarHBondContact O-N 3.48Å |
| 109 | P | 89.9 | Confident | 90.8 | Very high | 20 Ų | 20 | 44 Ų | 44 | 13% | 0.13 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 178.8 | -19.3 | 33.4 | 0 | 0 | 0 | 112.8 | D106 T107 E111 K112 A113 T219 | D106-P109 WeakPolarHBondContact O-CD 2.86Å; T107-P109 VanDerWaalsContact C-CD 3.49Å; P109-E111 VanDerWaalsContact C-N 3.32Å; P109-E111 PolarHBondContact O-N 3.29Å; P109-K112 PolarHBondContact O-N 3.3Å; P109-A113 WeakPolarHBondContact O-CB 3.5Å; P109-A113 PolarHBondContact O-N 3.32Å; P109-T219 WeakPolarHBondContact CB-O 3.48Å |
| 110 | Y | 90.9 | Very high | 91.4 | Very high | 42 Ų | 42 | 51 Ų | 51 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.9 | -35.3 | 177.8 | -57.1 | -70.9 | 0 | 0 | 0 | 111.7 | F58 Y77 T107 A114 | F58-Y110 HydrophobicContact CE1-CE1 4.07Å; F58-Y110 HydrophobicContact CZ-CD1 4.14Å; F58-Y110 HydrophobicContact CZ-CE1 4.03Å; F58-Y110 HydrophobicContact CZ-CG 4.45Å; Y77-Y110 HydrophobicContact CD1-CE2 4.46Å; Y77-Y110 HydrophobicContact CE1-CE2 4.19Å; T107-Y110 PolarHBondContact O-N 3.49Å; T107-Y110 VanDerWaalsContact O-N 3.1Å; Y110-A114 VanDerWaalsContact O-CB 3.28Å; Y110-A114 WeakPolarHBondContact O-CB 3.31Å; Y110-A114 PolarHBondContact O-N 2.85Å |
| 111 | E | 93 | Very high | 91.8 | Very high | 90 Ų | 90 | 58.4 Ų | 58.4 | 42% | 0.421 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 173.8 | -175.2 | 170.6 | -168.8 | 0 | 0 | 112.2 | I74 T107 T108 P109 A113 A114 N115 | I74-E111 HydrophobicContact CD1-CB 3.82Å; I74-E111 HydrophobicContact CD1-CG 3.96Å; T107-E111 PolarHBondContact O-N 3.48Å; T108-E111 PolarHBondContact O-N 2.79Å; P109-E111 VanDerWaalsContact C-N 3.32Å; P109-E111 PolarHBondContact O-N 3.29Å; E111-A113 PolarHBondContact O-N 2.86Å; E111-A114 PolarHBondContact O-N 3.28Å; E111-N115 WeakPolarHBondContact O-CB 3.25Å; E111-N115 PolarHBondContact O-N 2.98Å; E111-N115 PolarHBondContact O-ND2 2.98Å |
| 112 | K | 93.8 | Very high | 92.4 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 48% | 0.478 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 175 | -73.3 | 174.9 | -179.8 | 177.8 | 0 | 111.6 | T108 P109 A114 N115 Y116 E218 | T108-K112 WeakPolarHBondContact O-CG 3.45Å; T108-K112 PolarHBondContact O-N 3.48Å; P109-K112 PolarHBondContact O-N 3.3Å; K112-A114 PolarHBondContact O-N 3.06Å; K112-N115 PolarHBondContact O-N 3.42Å; K112-N115 VanDerWaalsContact O-N 3.13Å; K112-Y116 PolarHBondContact O-N 2.84Å; K112-E218 HydrophobicContact CB-CB 4.28Å |
| 113 | A | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P109 E111 N115 Y116 L117 Y215 E218 T219 | P109-A113 WeakPolarHBondContact O-CB 3.5Å; P109-A113 PolarHBondContact O-N 3.32Å; E111-A113 PolarHBondContact O-N 2.86Å; A113-N115 VanDerWaalsContact C-N 3.3Å; A113-N115 PolarHBondContact O-N 3.15Å; A113-Y116 PolarHBondContact O-N 3.07Å; A113-L117 PolarHBondContact O-N 2.95Å; A113-Y215 HydrophobicContact CB-CD2 3.75Å; A113-Y215 HydrophobicContact CB-CE2 3.53Å; A113-Y215 HydrophobicContact CB-CG 4.44Å; A113-Y215 WeakPolarHBondContact CB-O 3.49Å; A113-Y215 VanDerWaalsContact O-CD2 3.27Å; A113-Y215 WeakPolarHBondContact O-CD2 3.39Å; A113-Y215 WeakPolarHBondContact O-CE2 3.44Å; A113-E218 HydrophobicContact CB-CB 3.85Å; A113-T219 HydrophobicContact CB-CG2 3.39Å |
| 114 | A | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M67 K71 I74 Y110 E111 K112 C118 | M67-A114 HydrophobicContact SD-CB 4.01Å; K71-A114 HydrophobicContact CD-CB 4Å; K71-A114 VanDerWaalsContact NZ-CB 3.33Å; K71-A114 PolarHBondContact NZ-O 3.23Å; I74-A114 HydrophobicContact CD1-CB 4.39Å; Y110-A114 VanDerWaalsContact O-CB 3.28Å; Y110-A114 WeakPolarHBondContact O-CB 3.31Å; Y110-A114 PolarHBondContact O-N 2.85Å; E111-A114 PolarHBondContact O-N 3.28Å; K112-A114 PolarHBondContact O-N 3.06Å; A114-C118 WeakPolarHBondContact O-CB 3.41Å; A114-C118 PolarHBondContact O-N 3.1Å; A114-C118 PolarHBondContact O-SG 2.8Å |
| 115 | N | 96.2 | Very high | 93.9 | Very high | 77 Ų | 77 | 60 Ų | 60 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 177.9 | -71.3 | -15 | 0 | 0 | 0 | 111.5 | K71 E111 K112 A113 Q119 | K71-N115 PolarHBondContact NZ-OD1 3.44Å; E111-N115 WeakPolarHBondContact O-CB 3.25Å; E111-N115 PolarHBondContact O-N 2.98Å; E111-N115 PolarHBondContact O-ND2 2.98Å; K112-N115 PolarHBondContact O-N 3.42Å; K112-N115 VanDerWaalsContact O-N 3.13Å; A113-N115 VanDerWaalsContact C-N 3.3Å; A113-N115 PolarHBondContact O-N 3.15Å; N115-Q119 WeakPolarHBondContact O-CG 3.49Å; N115-Q119 PolarHBondContact O-N 3.34Å |
| 116 | Y | 96.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 59.7 Ų | 59.7 | 17% | 0.169 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.7 | -58.9 | 172.7 | 173.7 | -99.6 | 0 | 0 | 0 | 112 | K112 A113 C118 Q119 N122 L211 N214 E218 | K112-Y116 PolarHBondContact O-N 2.84Å; A113-Y116 PolarHBondContact O-N 3.07Å; Y116-C118 VanDerWaalsContact C-N 3.29Å; Y116-C118 PolarHBondContact O-N 3.48Å; Y116-Q119 PolarHBondContact O-N 3.19Å; Y116-N122 WeakPolarHBondContact CE2-ND2 3.27Å; Y116-N122 PolarHBondContact O-ND2 3.43Å; Y116-L211 HydrophobicContact CE1-CD1 3.56Å; Y116-L211 HydrophobicContact CE1-CG 4.45Å; Y116-L211 WeakPolarHBondContact CE1-O 3.01Å; Y116-N214 HydrophobicContact CD1-CB 4.45Å; Y116-N214 HydrophobicContact CE1-CB 3.55Å; Y116-N214 HydrophobicContact CE2-CB 4.16Å; Y116-N214 WeakPolarHBondContact OH-CB 3.33Å; Y116-N214 PolarHBondContact OH-ND2 3.24Å; Y116-N214 VanDerWaalsContact OH-ND2 3.17Å; Y116-E218 HydrophobicContact CG-CG 4.19Å |
| 117 | L | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -35.6 | -174.6 | 178.1 | 59.1 | 0 | 0 | 0 | 112.5 | F56 V64 M67 A113 Q119 N122 L123 F126 L211 Y215 | F56-L117 HydrophobicContact CD1-CD2 4.03Å; F56-L117 HydrophobicContact CE1-CD2 4.49Å; F56-L117 HydrophobicContact CG-CD2 4.43Å; V64-L117 HydrophobicContact CG1-CD2 3.84Å; V64-L117 HydrophobicContact CG1-CG 4.3Å; M67-L117 HydrophobicContact CE-CD2 3.96Å; A113-L117 PolarHBondContact O-N 2.95Å; L117-Q119 VanDerWaalsContact C-N 3.3Å; L117-Q119 PolarHBondContact O-N 3.34Å; L117-N122 WeakPolarHBondContact O-CB 3.2Å; L117-L123 PolarHBondContact O-N 2.84Å; L117-F126 HydrophobicContact CD1-CB 4.29Å; L117-F126 HydrophobicContact CD1-CD2 4.09Å; L117-F126 HydrophobicContact CD1-CG 4.36Å; L117-L211 HydrophobicContact CD1-CD1 4.45Å; L117-L211 HydrophobicContact CD1-CD2 3.92Å; L117-L211 HydrophobicContact CD1-CG 4.22Å; L117-Y215 HydrophobicContact CB-CD2 3.69Å; L117-Y215 HydrophobicContact CB-CE2 4.21Å; L117-Y215 HydrophobicContact CD2-CD2 3.89Å; L117-Y215 HydrophobicContact CD2-CE2 4.01Å; L117-Y215 HydrophobicContact CD2-CG 4.49Å; L117-Y215 HydrophobicContact CG-CD2 4.4Å |
| 118 | C | 96.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 68.2 Ų | 68.2 | 19% | 0.189 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.9 | -175.2 | -54.8 | 0 | 0 | 0 | 0 | 114.5 | C68 A114 Y116 | C68-C118 WeakPolarHBondContact CA-SG 2.95Å; C68-C118 HydrophobicContact CB-CB 3.61Å; C68-C118 WeakPolarHBondContact CB-SG 3.03Å; C68-C118 WeakPolarHBondContact SG-CA 3.06Å; C68-C118 WeakPolarHBondContact SG-CB 3.38Å; C68-C118 CovalentContact SG-SG 2.03Å; C68-C118 PolarHBondContact SG-SG 3.08Å; A114-C118 WeakPolarHBondContact O-CB 3.41Å; A114-C118 PolarHBondContact O-N 3.1Å; A114-C118 PolarHBondContact O-SG 2.8Å; Y116-C118 VanDerWaalsContact C-N 3.29Å; Y116-C118 PolarHBondContact O-N 3.48Å |
| 119 | Q | 97 | Very high | 95.5 | Very high | 108 Ų | 108 | 65.7 Ų | 65.7 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -60.1 | 141.7 | 166.4 | -76.5 | 173.4 | 8.8 | 0 | 0 | 110.1 | N115 Y116 L117 Y121 N122 L123 | N115-Q119 WeakPolarHBondContact O-CG 3.49Å; N115-Q119 PolarHBondContact O-N 3.34Å; Y116-Q119 PolarHBondContact O-N 3.19Å; L117-Q119 VanDerWaalsContact C-N 3.3Å; L117-Q119 PolarHBondContact O-N 3.34Å; Q119-Y121 VanDerWaalsContact C-N 3.26Å; Q119-Y121 PolarHBondContact O-N 2.71Å; Q119-Y121 VanDerWaalsContact O-N 3.14Å; Q119-N122 HydrophobicContact CB-CB 4.31Å; Q119-N122 PolarHBondContact O-N 3.11Å; Q119-N122 VanDerWaalsContact O-N 3.11Å; Q119-N122 PolarHBondContact OE1-ND2 2.8Å; Q119-L123 WeakPolarHBondContact O-CB 3.37Å; Q119-L123 PolarHBondContact O-N 3.47Å |
| 120 | Q | 95.3 | Very high | 95.8 | Very high | 176 Ų | 176 | 68.5 Ų | 68.5 | 82% | 0.822 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.1 | -40.6 | -173.4 | -175.6 | 177.2 | -0.5 | 0 | 0 | 113.4 | R124 | Q120-R124 WeakPolarHBondContact O-CB 3.48Å; Q120-R124 PolarHBondContact O-N 3.49Å; Q120-R124 VanDerWaalsContact O-N 3.11Å |
| 121 | Y | 96.3 | Very high | 96 | Very high | 166 Ų | 166 | 72.3 Ų | 72.3 | 65% | 0.651 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.2 | -51.1 | 177.4 | 173.8 | -100.5 | 0 | 0 | 0 | 112.1 | Q119 L123 R124 I125 | Q119-Y121 VanDerWaalsContact C-N 3.26Å; Q119-Y121 PolarHBondContact O-N 2.71Å; Q119-Y121 VanDerWaalsContact O-N 3.14Å; Y121-L123 PolarHBondContact O-N 3.16Å; Y121-R124 WeakPolarHBondContact O-CB 3.46Å; Y121-R124 PolarHBondContact O-N 3.3Å; Y121-R124 VanDerWaalsContact O-N 3.16Å; Y121-I125 HydrophobicContact CD1-CD1 4.11Å; Y121-I125 HydrophobicContact CE1-CD1 3.48Å; Y121-I125 VanDerWaalsContact CE1-CD1 3.48Å; Y121-I125 HydrophobicContact CE2-CD1 4.31Å; Y121-I125 PolarHBondContact O-N 3.47Å |
| 122 | N | 97.4 | Very high | 96 | Very high | 10 Ų | 10 | 74.4 Ų | 74.4 | 5% | 0.053 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 179.7 | -73.2 | -15.2 | 0 | 0 | 0 | 111.9 | Y116 L117 Q119 R124 I125 F126 L211 | Y116-N122 WeakPolarHBondContact CE2-ND2 3.27Å; Y116-N122 PolarHBondContact O-ND2 3.43Å; L117-N122 WeakPolarHBondContact O-CB 3.2Å; Q119-N122 HydrophobicContact CB-CB 4.31Å; Q119-N122 PolarHBondContact O-N 3.11Å; Q119-N122 VanDerWaalsContact O-N 3.11Å; Q119-N122 PolarHBondContact OE1-ND2 2.8Å; N122-R124 VanDerWaalsContact C-N 3.27Å; N122-R124 PolarHBondContact O-N 3.43Å; N122-I125 WeakPolarHBondContact O-CB 2.97Å; N122-I125 PolarHBondContact O-N 2.97Å; N122-F126 PolarHBondContact O-N 3.47Å; N122-L211 HydrophobicContact CB-CD1 3.55Å; N122-L211 WeakPolarHBondContact O-CD2 3.44Å |
| 123 | L | 96.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66 | -30.3 | 177.8 | -168.4 | 60.8 | 0 | 0 | 0 | 112 | V64 C68 L117 Q119 Y121 F126 R127 | V64-L123 HydrophobicContact CG1-CD1 4.12Å; C68-L123 HydrophobicContact CB-CD2 4.44Å; L117-L123 PolarHBondContact O-N 2.84Å; Q119-L123 WeakPolarHBondContact O-CB 3.37Å; Q119-L123 PolarHBondContact O-N 3.47Å; Y121-L123 PolarHBondContact O-N 3.16Å; L123-F126 HydrophobicContact CD1-CD1 4.41Å; L123-F126 PolarHBondContact O-N 2.67Å; L123-R127 WeakPolarHBondContact O-CB 3.09Å; L123-R127 VanDerWaalsContact O-CG 3.23Å; L123-R127 WeakPolarHBondContact O-CG 3.43Å; L123-R127 PolarHBondContact O-N 3.03Å |
| 124 | R | 97 | Very high | 96.2 | Very high | 194 Ų | 194 | 69.4 Ų | 69.4 | 73% | 0.732 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 173.2 | -176.1 | -179 | 179.8 | 177.8 | 0.5 | 111.8 | Q120 Y121 N122 R127 Y128 | Q120-R124 WeakPolarHBondContact O-CB 3.48Å; Q120-R124 PolarHBondContact O-N 3.49Å; Q120-R124 VanDerWaalsContact O-N 3.11Å; Y121-R124 WeakPolarHBondContact O-CB 3.46Å; Y121-R124 PolarHBondContact O-N 3.3Å; Y121-R124 VanDerWaalsContact O-N 3.16Å; N122-R124 VanDerWaalsContact C-N 3.27Å; N122-R124 PolarHBondContact O-N 3.43Å; R124-R127 PolarHBondContact O-N 2.95Å; R124-Y128 PolarHBondContact O-N 2.93Å; R124-Y128 VanDerWaalsContact O-N 3.12Å |
| 125 | I | 96.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 71.5 Ų | 71.5 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -49.6 | 174 | -65.2 | 169.9 | 0 | 0 | 0 | 109.3 | Y121 N122 R127 Y128 H129 D207 I208 L211 | Y121-I125 HydrophobicContact CD1-CD1 4.11Å; Y121-I125 HydrophobicContact CE1-CD1 3.48Å; Y121-I125 VanDerWaalsContact CE1-CD1 3.48Å; Y121-I125 HydrophobicContact CE2-CD1 4.31Å; Y121-I125 PolarHBondContact O-N 3.47Å; N122-I125 WeakPolarHBondContact O-CB 2.97Å; N122-I125 PolarHBondContact O-N 2.97Å; I125-R127 PolarHBondContact O-N 3.27Å; I125-Y128 PolarHBondContact O-N 3.02Å; I125-H129 PolarHBondContact O-CD2 3.44Å; I125-H129 PolarHBondContact O-N 3.4Å; I125-D207 HydrophobicContact CG2-CB 4.46Å; I125-I208 HydrophobicContact CG2-CB 4.49Å; I125-I208 HydrophobicContact CG2-CD1 4.31Å; I125-L211 HydrophobicContact CB-CD2 4.24Å; I125-L211 HydrophobicContact CG2-CD2 4.12Å |
| 126 | F | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.7 | -50.6 | 178.2 | -176 | -89.6 | 0 | 0 | 0 | 112.3 | F56 V61 V64 L117 N122 L123 Y128 H129 R130 L134 I208 L211 | F56-F126 HydrophobicContact CD2-CE2 4.2Å; F56-F126 HydrophobicContact CD2-CZ 4.44Å; F56-F126 AromaticContact CE2-CE2 3.76Å; F56-F126 HydrophobicContact CE2-CE2 3.76Å; F56-F126 HydrophobicContact CE2-CZ 4.33Å; F56-F126 HydrophobicContact CZ-CE2 4.24Å; V61-F126 HydrophobicContact CB-CZ 4.33Å; V61-F126 HydrophobicContact CG1-CE1 4.12Å; V61-F126 HydrophobicContact CG1-CZ 3.67Å; V64-F126 HydrophobicContact CB-CD1 4.35Å; V64-F126 HydrophobicContact CB-CE1 3.58Å; V64-F126 HydrophobicContact CB-CE2 4.49Å; V64-F126 HydrophobicContact CB-CZ 3.66Å; V64-F126 HydrophobicContact CG1-CD1 3.89Å; V64-F126 HydrophobicContact CG1-CE1 3.62Å; V64-F126 HydrophobicContact CG1-CE2 4.33Å; V64-F126 HydrophobicContact CG1-CG 4.37Å; V64-F126 HydrophobicContact CG1-CZ 3.85Å; V64-F126 HydrophobicContact CG2-CE1 3.89Å; V64-F126 HydrophobicContact CG2-CE2 4.01Å; V64-F126 HydrophobicContact CG2-CZ 3.39Å; L117-F126 HydrophobicContact CD1-CB 4.29Å; L117-F126 HydrophobicContact CD1-CD2 4.09Å; L117-F126 HydrophobicContact CD1-CG 4.36Å; N122-F126 PolarHBondContact O-N 3.47Å; L123-F126 HydrophobicContact CD1-CD1 4.41Å; L123-F126 PolarHBondContact O-N 2.67Å; F126-Y128 VanDerWaalsContact C-N 3.29Å; F126-Y128 PolarHBondContact O-N 3.32Å; F126-H129 PolarHBondContact O-N 2.63Å; F126-H129 VanDerWaalsContact O-N 3.12Å; F126-R130 HydrophobicContact CE1-CB 4.27Å; F126-R130 WeakPolarHBondContact O-CB 3.08Å; F126-R130 PolarHBondContact O-N 3.22Å; F126-L134 HydrophobicContact CD2-CD1 4.01Å; F126-L134 HydrophobicContact CE2-CD1 3.71Å; F126-L134 HydrophobicContact CZ-CD1 4.26Å; F126-I208 HydrophobicContact CD2-CD1 4.28Å; F126-L211 HydrophobicContact CB-CD2 4Å |
| 127 | R | 96.8 | Very high | 96.1 | Very high | 136 Ų | 136 | 71.6 Ų | 71.6 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.8 | -41.5 | 178 | -77.3 | 169.7 | -178.9 | 165.8 | 3.4 | 113 | E65 L123 R124 I125 H129 | E65-R127 WeakPolarHBondContact OE1-CD 3.41Å; E65-R127 WeakPolarHBondContact OE1-CG 3.33Å; E65-R127 IonicContact OE1-CZ 3.86Å; E65-R127 IonicContact OE1-NE 3.72Å; E65-R127 PolarHBondContact OE1-NE 2.91Å; E65-R127 IonicContact OE1-NH2 3.11Å; E65-R127 PolarHBondContact OE1-NH2 2.05Å; E65-R127 IonicContact OE2-CZ 2.95Å; E65-R127 IonicContact OE2-NE 3.79Å; E65-R127 IonicContact OE2-NH2 3.13Å; E65-R127 PolarHBondContact OE2-NH2 3.41Å; L123-R127 WeakPolarHBondContact O-CB 3.09Å; L123-R127 VanDerWaalsContact O-CG 3.23Å; L123-R127 WeakPolarHBondContact O-CG 3.43Å; L123-R127 PolarHBondContact O-N 3.03Å; R124-R127 PolarHBondContact O-N 2.95Å; I125-R127 PolarHBondContact O-N 3.27Å; R127-H129 VanDerWaalsContact C-N 3.28Å; R127-H129 PolarHBondContact O-N 3.12Å |
| 128 | Y | 96.6 | Very high | 95.9 | Very high | 132 Ų | 132 | 73.2 Ų | 73.2 | 52% | 0.518 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 180 | 175.9 | -97.1 | 0 | 0 | 0 | 111.9 | R124 I125 F126 K132 | R124-Y128 PolarHBondContact O-N 2.93Å; R124-Y128 VanDerWaalsContact O-N 3.12Å; I125-Y128 PolarHBondContact O-N 3.02Å; F126-Y128 VanDerWaalsContact C-N 3.29Å; F126-Y128 PolarHBondContact O-N 3.32Å; Y128-K132 HydrophobicContact CD1-CD 4.45Å; Y128-K132 HydrophobicContact CE1-CD 4.04Å; Y128-K132 HydrophobicContact CE2-CD 4.19Å; Y128-K132 WeakPolarHBondContact O-CD 3.46Å; Y128-K132 VanDerWaalsContact O-CG 3.29Å; Y128-K132 WeakPolarHBondContact O-CG 3.48Å; Y128-K132 PolarHBondContact OH-NZ 3.22Å |
| 129 | H | 97.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 76.3 Ų | 76.3 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -94.1 | -18.9 | -176.6 | -70.6 | -63.2 | 0 | 0 | 0 | 115 | I125 F126 R127 E131 K132 C133 L134 S205 D207 I208 | I125-H129 PolarHBondContact O-CD2 3.44Å; I125-H129 PolarHBondContact O-N 3.4Å; F126-H129 PolarHBondContact O-N 2.63Å; F126-H129 VanDerWaalsContact O-N 3.12Å; R127-H129 VanDerWaalsContact C-N 3.28Å; R127-H129 PolarHBondContact O-N 3.12Å; H129-E131 PolarHBondContact O-N 3.45Å; H129-K132 PolarHBondContact O-N 2.94Å; H129-C133 PolarHBondContact O-N 2.03Å; H129-L134 HydrophobicContact CB-CD1 4.45Å; H129-L134 HydrophobicContact CB-CG 4.36Å; H129-L134 PolarHBondContact O-N 2.74Å; H129-L134 VanDerWaalsContact O-N 3.09Å; H129-S205 PolarHBondContact CE1-OG 3.21Å; H129-S205 PolarHBondContact NE2-OG 2.92Å; H129-D207 IonicContact CD2-OD2 2.74Å; H129-D207 IonicContact CE1-OD1 3.8Å; H129-D207 IonicContact NE2-OD1 3.14Å; H129-D207 PolarHBondContact NE2-OD1 3Å; H129-D207 VanDerWaalsContact NE2-OD1 3.13Å; H129-D207 IonicContact NE2-OD2 2.67Å; H129-D207 PolarHBondContact NE2-OD2 3.38Å; H129-I208 HydrophobicContact CB-CB 3.95Å; H129-I208 HydrophobicContact CB-CD1 4.15Å; H129-I208 HydrophobicContact CB-CG1 3.73Å; H129-I208 HydrophobicContact CB-CG2 4.13Å; H129-I208 VanDerWaalsContact CD2-CB 3.46Å; H129-I208 WeakPolarHBondContact CD2-CB 3.41Å |
| 130 | R | 95.5 | Very high | 95.5 | Very high | 79 Ų | 79 | 76 Ų | 76 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | I | π-helix | trans | -45.9 | -64.3 | -179.5 | 159.4 | 170.7 | 157.2 | -163.5 | -9.7 | 111.7 | V61 F126 L134 S135 | V61-R130 HydrophobicContact CG1-CB 3.91Å; V61-R130 HydrophobicContact CG1-CG 3.49Å; V61-R130 VanDerWaalsContact CG1-CG 3.49Å; F126-R130 HydrophobicContact CE1-CB 4.27Å; F126-R130 WeakPolarHBondContact O-CB 3.08Å; F126-R130 PolarHBondContact O-N 3.22Å; R130-L134 PolarHBondContact O-N 2Å; R130-S135 PolarHBondContact O-N 3.32Å; R130-S135 PolarHBondContact O-OG 3.48Å |
| 131 | E | 94.3 | Very high | 95.4 | Very high | 122 Ų | 122 | 67.6 Ų | 67.6 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | I | π-helix | trans | -85.5 | -13.4 | -177.7 | -57.2 | -55.6 | 163.6 | 0 | 0 | 113.5 | H129 S135 | H129-E131 PolarHBondContact O-N 3.45Å; E131-S135 PolarHBondContact OE2-OG 3.33Å |
| 132 | K | 94.3 | Very high | 95.3 | Very high | 134 Ų | 134 | 62.6 Ų | 62.6 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | I | π-helix | trans | -80.7 | -39 | -178.5 | -73.1 | -166.5 | 177.4 | -156.2 | 0 | 112.9 | Y128 H129 | Y128-K132 HydrophobicContact CD1-CD 4.45Å; Y128-K132 HydrophobicContact CE1-CD 4.04Å; Y128-K132 HydrophobicContact CE2-CD 4.19Å; Y128-K132 WeakPolarHBondContact O-CD 3.46Å; Y128-K132 VanDerWaalsContact O-CG 3.29Å; Y128-K132 WeakPolarHBondContact O-CG 3.48Å; Y128-K132 PolarHBondContact OH-NZ 3.22Å; H129-K132 PolarHBondContact O-N 2.94Å |
| 133 | C | 95.9 | Very high | 95 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.034 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -142.4 | -40.3 | -178.9 | 76.6 | 0 | 0 | 0 | 0 | 113.1 | H129 S135 A136 Y137 C204 | H129-C133 PolarHBondContact O-N 2.03Å; C133-S135 PolarHBondContact O-N 3.35Å; C133-A136 PolarHBondContact O-N 2.83Å; C133-Y137 WeakPolarHBondContact O-CD2 3.28Å; C133-C204 HydrophobicContact CB-CB 4.13Å; C133-C204 WeakPolarHBondContact CB-SG 3.36Å; C133-C204 WeakPolarHBondContact SG-CB 3.46Å; C133-C204 CovalentContact SG-SG 2.05Å; C133-C204 PolarHBondContact SG-SG 2.81Å |
| 134 | L | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -63.7 | -48.8 | -170.3 | -60.1 | 179.5 | 0 | 0 | 0 | 113.5 | F54 V61 F126 H129 R130 A136 Y137 E138 L200 I208 I212 | F54-L134 HydrophobicContact CE1-CD2 4.24Å; F54-L134 HydrophobicContact CE2-CB 4.37Å; F54-L134 HydrophobicContact CZ-CB 4.32Å; F54-L134 HydrophobicContact CZ-CD2 3.88Å; V61-L134 HydrophobicContact CG1-CB 4.19Å; V61-L134 HydrophobicContact CG2-CB 3.91Å; F126-L134 HydrophobicContact CD2-CD1 4.01Å; F126-L134 HydrophobicContact CE2-CD1 3.71Å; F126-L134 HydrophobicContact CZ-CD1 4.26Å; H129-L134 HydrophobicContact CB-CD1 4.45Å; H129-L134 HydrophobicContact CB-CG 4.36Å; H129-L134 PolarHBondContact O-N 2.74Å; H129-L134 VanDerWaalsContact O-N 3.09Å; R130-L134 PolarHBondContact O-N 2Å; L134-A136 PolarHBondContact O-N 2.91Å; L134-Y137 PolarHBondContact O-N 3.32Å; L134-Y137 VanDerWaalsContact O-N 3.14Å; L134-E138 PolarHBondContact O-N 3.13Å; L134-L200 HydrophobicContact CD2-CD1 3.92Å; L134-I208 HydrophobicContact CD1-CD1 4Å; L134-I208 HydrophobicContact CD1-CG1 3.94Å; L134-I208 HydrophobicContact CD2-CG1 3.9Å; L134-I208 HydrophobicContact CG-CG1 4.19Å; L134-I212 HydrophobicContact CD2-CD1 3.71Å |
| 135 | S | 94.9 | Very high | 94.7 | Very high | 43 Ų | 43 | 57 Ų | 57 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.7 | -35.7 | -179.6 | -58.4 | 0 | 0 | 0 | 0 | 112 | R130 E131 C133 Y137 | R130-S135 PolarHBondContact O-N 3.32Å; R130-S135 PolarHBondContact O-OG 3.48Å; E131-S135 PolarHBondContact OE2-OG 3.33Å; C133-S135 PolarHBondContact O-N 3.35Å; S135-Y137 VanDerWaalsContact C-N 3.32Å; S135-Y137 PolarHBondContact O-N 3.44Å |
| 136 | A | 94.8 | Very high | 94.4 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 63% | 0.628 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -70.7 | -26 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C133 L134 | C133-A136 PolarHBondContact O-N 2.83Å; L134-A136 PolarHBondContact O-N 2.91Å |
| 137 | Y | 94.9 | Very high | 94.1 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 18% | 0.184 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -107.4 | 3.9 | -178.3 | -65.8 | -76.5 | 0 | 0 | 0 | 113.4 | C133 L134 S135 S139 Q140 V141 I199 L200 H203 | C133-Y137 WeakPolarHBondContact O-CD2 3.28Å; L134-Y137 PolarHBondContact O-N 3.32Å; L134-Y137 VanDerWaalsContact O-N 3.14Å; S135-Y137 VanDerWaalsContact C-N 3.32Å; S135-Y137 PolarHBondContact O-N 3.44Å; Y137-S139 PolarHBondContact O-N 3.45Å; Y137-Q140 PolarHBondContact O-N 2.81Å; Y137-V141 PolarHBondContact O-N 3.48Å; Y137-I199 HydrophobicContact CD1-CG2 4.02Å; Y137-I199 HydrophobicContact CG-CG2 4.28Å; Y137-L200 HydrophobicContact CD2-CD2 4.24Å; Y137-L200 HydrophobicContact CG-CD2 4.16Å; Y137-H203 HydrophobicContact CD2-CB 4.23Å; Y137-H203 AromaticContact CE1-CD2 3.51Å; Y137-H203 HydrophobicContact CE2-CB 3.39Å; Y137-H203 AromaticContact CE2-CD2 3.93Å; Y137-H203 AromaticContact CE2-CG 3.73Å; Y137-H203 AromaticContact CZ-CD2 3.25Å; Y137-H203 AromaticContact CZ-CG 3.36Å; Y137-H203 AromaticContact CZ-NE2 3.88Å; Y137-H203 PolarHBondContact OH-CD2 3.01Å; Y137-H203 PolarHBondContact OH-CE1 3.24Å; Y137-H203 PolarHBondContact OH-ND1 2.89Å; Y137-H203 PolarHBondContact OH-NE2 2.89Å |
| 138 | E | 92.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.7 | -47.1 | -175.4 | -179.1 | 150.7 | -132.2 | 0 | 0 | 112.9 | F54 S60 V61 L134 Q140 V141 E142 | F54-E138 HydrophobicContact CD2-CG 4.36Å; F54-E138 HydrophobicContact CE2-CB 4.25Å; F54-E138 HydrophobicContact CE2-CG 4.48Å; S60-E138 VanDerWaalsContact C-OE1 3.3Å; S60-E138 WeakPolarHBondContact CA-OE1 3.22Å; S60-E138 WeakPolarHBondContact CB-OE1 3.36Å; V61-E138 WeakPolarHBondContact CG2-OE1 3.39Å; V61-E138 PolarHBondContact N-OE1 3.04Å; L134-E138 PolarHBondContact O-N 3.13Å; E138-Q140 VanDerWaalsContact C-N 3.29Å; E138-Q140 PolarHBondContact O-N 3Å; E138-V141 PolarHBondContact O-N 2.82Å; E138-E142 PolarHBondContact O-N 3.26Å |
| 139 | S | 91.6 | Very high | 93.4 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 65% | 0.65 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.7 | -33.2 | 177.3 | 176.7 | 0 | 0 | 0 | 0 | 113.1 | Y137 E142 | Y137-S139 PolarHBondContact O-N 3.45Å; S139-E142 WeakPolarHBondContact O-CB 3.3Å |
| 140 | Q | 92.8 | Very high | 93 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.1 | -40.5 | 176.1 | -63.3 | -178.6 | 40.2 | 0 | 0 | 111.1 | Y137 E138 E142 N143 I199 | Y137-Q140 PolarHBondContact O-N 2.81Å; E138-Q140 VanDerWaalsContact C-N 3.29Å; E138-Q140 PolarHBondContact O-N 3Å; Q140-E142 VanDerWaalsContact C-N 3.29Å; Q140-E142 PolarHBondContact O-N 3.24Å; Q140-N143 PolarHBondContact O-N 3.38Å; Q140-I199 HydrophobicContact CB-CD1 4.29Å; Q140-I199 HydrophobicContact CB-CG2 4.08Å |
| 141 | V | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.5 | -31 | 176.4 | 163.3 | 0 | 0 | 0 | 0 | 112 | F54 Y137 E138 N143 C144 S145 I196 I199 L200 | F54-V141 HydrophobicContact CB-CG1 4.3Å; F54-V141 HydrophobicContact CD1-CG1 3.6Å; F54-V141 HydrophobicContact CD2-CB 4.46Å; F54-V141 HydrophobicContact CD2-CG1 3.97Å; F54-V141 HydrophobicContact CE1-CB 4.26Å; F54-V141 HydrophobicContact CE1-CG1 3.77Å; F54-V141 HydrophobicContact CE1-CG2 3.9Å; F54-V141 HydrophobicContact CE2-CB 4.23Å; F54-V141 HydrophobicContact CE2-CG1 4.15Å; F54-V141 HydrophobicContact CE2-CG2 4.35Å; F54-V141 HydrophobicContact CG-CG1 3.69Å; F54-V141 HydrophobicContact CZ-CB 4.12Å; F54-V141 HydrophobicContact CZ-CG1 4.06Å; F54-V141 HydrophobicContact CZ-CG2 3.78Å; Y137-V141 PolarHBondContact O-N 3.48Å; E138-V141 PolarHBondContact O-N 2.82Å; V141-N143 PolarHBondContact O-N 3.07Å; V141-N143 VanDerWaalsContact O-N 3.15Å; V141-C144 WeakPolarHBondContact O-CA 3.44Å; V141-C144 VanDerWaalsContact O-CB 3.22Å; V141-C144 WeakPolarHBondContact O-CB 3.48Å; V141-C144 PolarHBondContact O-N 3.31Å; V141-S145 PolarHBondContact O-N 3.03Å; V141-I196 HydrophobicContact CG1-CD1 4.09Å; V141-I196 HydrophobicContact CG1-CG1 3.81Å; V141-I196 HydrophobicContact CG2-CG1 4.45Å; V141-I196 HydrophobicContact CG2-CG2 4.35Å; V141-I199 HydrophobicContact CG2-CB 4.41Å; V141-I199 HydrophobicContact CG2-CD1 4.08Å; V141-I199 HydrophobicContact CG2-CG2 4.13Å; V141-L200 HydrophobicContact CG2-CD2 4.47Å |
| 142 | E | 93.1 | Very high | 92.4 | Very high | 60 Ų | 60 | 52.5 Ų | 52.5 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.4 | -37 | 175.8 | -170.3 | 166.1 | 118.7 | 0 | 0 | 112.2 | Y51 G53 E138 S139 Q140 C144 S145 K146 | Y51-E142 HydrophobicContact CD2-CG 4.22Å; Y51-E142 WeakPolarHBondContact O-CG 3.23Å; G53-E142 PolarHBondContact N-OE2 3.42Å; G53-E142 WeakPolarHBondContact O-CA 3.36Å; E138-E142 PolarHBondContact O-N 3.26Å; S139-E142 WeakPolarHBondContact O-CB 3.3Å; Q140-E142 VanDerWaalsContact C-N 3.29Å; Q140-E142 PolarHBondContact O-N 3.24Å; E142-C144 VanDerWaalsContact C-N 3.28Å; E142-C144 PolarHBondContact O-N 3.37Å; E142-S145 WeakPolarHBondContact O-CB 3.43Å; E142-S145 PolarHBondContact O-N 3.48Å; E142-K146 WeakPolarHBondContact O-CB 3.38Å; E142-K146 PolarHBondContact O-N 2.84Å |
| 143 | N | 92.7 | Very high | 92 | Very high | 99 Ų | 99 | 47.6 Ų | 47.6 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61 | -35.7 | 175.3 | -73.8 | -24.1 | 0 | 0 | 0 | 112.7 | Q140 V141 K146 Q147 | Q140-N143 PolarHBondContact O-N 3.38Å; V141-N143 PolarHBondContact O-N 3.07Å; V141-N143 VanDerWaalsContact O-N 3.15Å; N143-K146 PolarHBondContact O-N 3.2Å; N143-Q147 VanDerWaalsContact O-CG 3.31Å; N143-Q147 WeakPolarHBondContact O-CG 3.29Å; N143-Q147 PolarHBondContact O-N 3.01Å |
| 144 | C | 93.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66 | -40.2 | 174.1 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | V141 E142 Y148 K192 C195 I196 I199 | V141-C144 WeakPolarHBondContact O-CA 3.44Å; V141-C144 VanDerWaalsContact O-CB 3.22Å; V141-C144 WeakPolarHBondContact O-CB 3.48Å; V141-C144 PolarHBondContact O-N 3.31Å; E142-C144 VanDerWaalsContact C-N 3.28Å; E142-C144 PolarHBondContact O-N 3.37Å; C144-Y148 WeakPolarHBondContact O-CB 3.24Å; C144-Y148 PolarHBondContact O-N 2.9Å; C144-K192 HydrophobicContact CB-CG 4.35Å; C144-C195 HydrophobicContact CB-CB 3.7Å; C144-C195 WeakPolarHBondContact CB-SG 3.45Å; C144-C195 VanDerWaalsContact SG-C 3.51Å; C144-C195 WeakPolarHBondContact SG-CB 3.42Å; C144-C195 CovalentContact SG-SG 2.04Å; C144-C195 PolarHBondContact SG-SG 3.34Å; C144-I196 HydrophobicContact CB-CG1 4.08Å; C144-I199 VanDerWaalsContact SG-CD1 3.56Å |
| 145 | S | 91.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 176 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | Y51 G53 F54 V141 E142 S149 K192 | Y51-S145 VanDerWaalsContact O-CB 3.22Å; Y51-S145 WeakPolarHBondContact O-CB 3.5Å; G53-S145 PolarHBondContact O-OG 2.95Å; F54-S145 PolarHBondContact O-OG 3.1Å; V141-S145 PolarHBondContact O-N 3.03Å; E142-S145 WeakPolarHBondContact O-CB 3.43Å; E142-S145 PolarHBondContact O-N 3.48Å; S145-S149 WeakPolarHBondContact O-CB 3.43Å; S145-S149 PolarHBondContact O-N 2.8Å; S145-S149 PolarHBondContact O-OG 3.38Å; S145-K192 VanDerWaalsContact OG-CE 3.31Å; S145-K192 WeakPolarHBondContact OG-CE 3.42Å; S145-K192 PolarHBondContact OG-NZ 3.42Å |
| 146 | K | 90.6 | Very high | 90.7 | Very high | 98 Ų | 98 | 53 Ų | 53 | 43% | 0.426 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -51.5 | 175.5 | -175.1 | 174.2 | -180 | 175.6 | 0 | 111.8 | Y51 E142 N143 Y148 S149 D150 | Y51-K146 HydrophobicContact CG-CB 4.47Å; E142-K146 WeakPolarHBondContact O-CB 3.38Å; E142-K146 PolarHBondContact O-N 2.84Å; N143-K146 PolarHBondContact O-N 3.2Å; K146-Y148 VanDerWaalsContact C-N 3.27Å; K146-Y148 PolarHBondContact O-N 2.93Å; K146-S149 WeakPolarHBondContact O-CB 3.45Å; K146-S149 PolarHBondContact O-N 2.66Å; K146-D150 WeakPolarHBondContact O-CB 3.17Å; K146-D150 VanDerWaalsContact O-CG 3.27Å; K146-D150 PolarHBondContact O-N 2.97Å |
| 147 | Q | 91.3 | Very high | 90 | Very high | 119 Ų | 119 | 52 Ų | 52 | 56% | 0.556 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -55.2 | -42.6 | 177.2 | -75.2 | 175.6 | -15.3 | 0 | 0 | 112.5 | N143 D150 L151 | N143-Q147 VanDerWaalsContact O-CG 3.31Å; N143-Q147 WeakPolarHBondContact O-CG 3.29Å; N143-Q147 PolarHBondContact O-N 3.01Å; Q147-D150 PolarHBondContact O-N 2.85Å; Q147-L151 WeakPolarHBondContact O-CB 3.45Å; Q147-L151 PolarHBondContact O-N 2.97Å |
| 148 | Y | 90.5 | Very high | 89.5 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 14% | 0.137 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 175.4 | 171.6 | -112.3 | 0 | 0 | 0 | 112.7 | C144 K146 D150 L151 L152 Y185 T189 K192 | C144-Y148 WeakPolarHBondContact O-CB 3.24Å; C144-Y148 PolarHBondContact O-N 2.9Å; K146-Y148 VanDerWaalsContact C-N 3.27Å; K146-Y148 PolarHBondContact O-N 2.93Å; Y148-D150 VanDerWaalsContact C-N 3.34Å; Y148-L151 PolarHBondContact O-N 3.37Å; Y148-L152 HydrophobicContact CD1-CD1 4.33Å; Y148-L152 HydrophobicContact CE1-CD1 3.7Å; Y148-L152 HydrophobicContact CE2-CD1 3.99Å; Y148-L152 HydrophobicContact CE2-CG 4.18Å; Y148-L152 PolarHBondContact O-N 3.42Å; Y148-Y185 VanDerWaalsContact OH-CD1 3.24Å; Y148-Y185 WeakPolarHBondContact OH-CD1 3.26Å; Y148-T189 PolarHBondContact OH-OG1 2.7Å; Y148-K192 HydrophobicContact CD1-CD 4.08Å; Y148-K192 HydrophobicContact CG-CB 4.45Å; Y148-K192 HydrophobicContact CG-CD 4.12Å |
| 149 | S | 87.8 | Confident | 89.1 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 177.7 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | S145 K146 S153 | S145-S149 WeakPolarHBondContact O-CB 3.43Å; S145-S149 PolarHBondContact O-N 2.8Å; S145-S149 PolarHBondContact O-OG 3.38Å; K146-S149 WeakPolarHBondContact O-CB 3.45Å; K146-S149 PolarHBondContact O-N 2.66Å; S149-S153 WeakPolarHBondContact O-CB 3.41Å; S149-S153 PolarHBondContact O-N 3.38Å; S149-S153 PolarHBondContact O-OG 2.78Å |
| 150 | D | 89 | Confident | 88.4 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.6 | -44.9 | 176.4 | -69.1 | -17.9 | 0 | 0 | 0 | 110.7 | K146 Q147 Y148 L152 S153 Q154 | K146-D150 WeakPolarHBondContact O-CB 3.17Å; K146-D150 VanDerWaalsContact O-CG 3.27Å; K146-D150 PolarHBondContact O-N 2.97Å; Q147-D150 PolarHBondContact O-N 2.85Å; Y148-D150 VanDerWaalsContact C-N 3.34Å; D150-L152 PolarHBondContact O-N 3.16Å; D150-S153 PolarHBondContact O-N 3.45Å; D150-Q154 WeakPolarHBondContact O-CB 3.09Å; D150-Q154 VanDerWaalsContact O-CG 3.3Å; D150-Q154 WeakPolarHBondContact O-CG 3.34Å; D150-Q154 PolarHBondContact O-N 2.96Å |
| 151 | L | 90.2 | Very high | 87.5 | Confident | 63 Ų | 63 | 50.1 Ų | 50.1 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55 | -52.8 | 173.9 | 172.8 | 64.1 | 0 | 0 | 0 | 111.3 | Q147 Y148 S153 Q154 T155 T184 | Q147-L151 WeakPolarHBondContact O-CB 3.45Å; Q147-L151 PolarHBondContact O-N 2.97Å; Y148-L151 PolarHBondContact O-N 3.37Å; L151-S153 VanDerWaalsContact C-N 3.29Å; L151-S153 PolarHBondContact O-N 3.22Å; L151-Q154 PolarHBondContact O-N 3.22Å; L151-T155 PolarHBondContact O-N 3.01Å; L151-T155 PolarHBondContact O-OG1 2.8Å; L151-T155 VanDerWaalsContact O-OG1 3.1Å; L151-T184 HydrophobicContact CD1-CG2 4.37Å; L151-T184 HydrophobicContact CD2-CG2 4.21Å; L151-T184 HydrophobicContact CG-CG2 3.9Å |
| 152 | L | 87.5 | Confident | 86.5 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 178.2 | -75 | 175.8 | 0 | 0 | 0 | 111.3 | Y148 D150 Q154 T155 Y156 T184 Y185 | Y148-L152 HydrophobicContact CD1-CD1 4.33Å; Y148-L152 HydrophobicContact CE1-CD1 3.7Å; Y148-L152 HydrophobicContact CE2-CD1 3.99Å; Y148-L152 HydrophobicContact CE2-CG 4.18Å; Y148-L152 PolarHBondContact O-N 3.42Å; D150-L152 PolarHBondContact O-N 3.16Å; L152-Q154 PolarHBondContact O-N 3.02Å; L152-T155 PolarHBondContact O-N 3.44Å; L152-Y156 HydrophobicContact CB-CD2 4.48Å; L152-Y156 HydrophobicContact CB-CE2 4.18Å; L152-Y156 WeakPolarHBondContact O-CD2 3.49Å; L152-Y156 PolarHBondContact O-N 2.99Å; L152-T184 HydrophobicContact CD2-CG2 3.86Å; L152-Y185 HydrophobicContact CD1-CD1 4.12Å; L152-Y185 HydrophobicContact CD1-CE1 3.61Å; L152-Y185 HydrophobicContact CD2-CD1 3.74Å; L152-Y185 HydrophobicContact CD2-CE1 3.66Å; L152-Y185 HydrophobicContact CD2-CE2 4.48Å; L152-Y185 HydrophobicContact CD2-CG 4.17Å; L152-Y185 HydrophobicContact CG-CE1 4.32Å |
| 153 | S | 86.2 | Confident | 85.5 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | -178.5 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | K50 S149 D150 L151 T155 Y156 L157 | K50-S153 PolarHBondContact NZ-OG 3.35Å; S149-S153 WeakPolarHBondContact O-CB 3.41Å; S149-S153 PolarHBondContact O-N 3.38Å; S149-S153 PolarHBondContact O-OG 2.78Å; D150-S153 PolarHBondContact O-N 3.45Å; L151-S153 VanDerWaalsContact C-N 3.29Å; L151-S153 PolarHBondContact O-N 3.22Å; S153-T155 PolarHBondContact O-N 3.3Å; S153-Y156 PolarHBondContact O-N 2.92Å; S153-L157 VanDerWaalsContact O-CG 3.28Å; S153-L157 WeakPolarHBondContact O-CG 3.18Å; S153-L157 PolarHBondContact O-N 3.15Å |
| 154 | Q | 87.8 | Confident | 84.5 | Confident | 127 Ų | 127 | 50 Ų | 50 | 59% | 0.593 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 174.7 | -71.3 | 172.6 | 21 | 0 | 0 | 112.5 | D150 L151 L152 Y156 L157 Q158 | D150-Q154 WeakPolarHBondContact O-CB 3.09Å; D150-Q154 VanDerWaalsContact O-CG 3.3Å; D150-Q154 WeakPolarHBondContact O-CG 3.34Å; D150-Q154 PolarHBondContact O-N 2.96Å; L151-Q154 PolarHBondContact O-N 3.22Å; L152-Q154 PolarHBondContact O-N 3.02Å; Q154-Y156 VanDerWaalsContact C-N 3.35Å; Q154-Y156 PolarHBondContact O-N 3.42Å; Q154-L157 PolarHBondContact O-N 2.88Å; Q154-Q158 WeakPolarHBondContact O-CB 3.37Å; Q154-Q158 PolarHBondContact O-N 2.89Å |
| 155 | T | 86.9 | Confident | 83.4 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | L151 L152 S153 L157 Q158 L159 V180 L181 T184 | L151-T155 PolarHBondContact O-N 3.01Å; L151-T155 PolarHBondContact O-OG1 2.8Å; L151-T155 VanDerWaalsContact O-OG1 3.1Å; L152-T155 PolarHBondContact O-N 3.44Å; S153-T155 PolarHBondContact O-N 3.3Å; T155-L157 VanDerWaalsContact C-N 3.34Å; T155-L157 PolarHBondContact O-N 3.35Å; T155-Q158 PolarHBondContact O-N 3.18Å; T155-L159 HydrophobicContact CG2-CD1 4.03Å; T155-L159 HydrophobicContact CG2-CG 4.45Å; T155-L159 WeakPolarHBondContact O-CG 3.41Å; T155-L159 PolarHBondContact O-N 3.39Å; T155-V180 HydrophobicContact CG2-CG1 3.88Å; T155-L181 HydrophobicContact CG2-CD2 3.97Å; T155-T184 HydrophobicContact CG2-CG2 4.15Å; T155-T184 WeakPolarHBondContact CG2-OG1 3.18Å; T155-T184 VanDerWaalsContact OG1-CG2 3.29Å; T155-T184 WeakPolarHBondContact OG1-CG2 3.41Å |
| 156 | Y | 83.9 | Confident | 82.6 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.1 | -72 | -63.6 | 0 | 0 | 0 | 111.8 | I104 L152 S153 Q154 Q158 L159 A160 L181 Y185 L314 | I104-Y156 HydrophobicContact CD1-CE1 4.2Å; I104-Y156 HydrophobicContact CG1-CE1 4.26Å; L152-Y156 HydrophobicContact CB-CD2 4.48Å; L152-Y156 HydrophobicContact CB-CE2 4.18Å; L152-Y156 WeakPolarHBondContact O-CD2 3.49Å; L152-Y156 PolarHBondContact O-N 2.99Å; S153-Y156 PolarHBondContact O-N 2.92Å; Q154-Y156 VanDerWaalsContact C-N 3.35Å; Q154-Y156 PolarHBondContact O-N 3.42Å; Y156-Q158 VanDerWaalsContact C-N 3.32Å; Y156-Q158 PolarHBondContact O-N 2.99Å; Y156-L159 PolarHBondContact O-N 2.85Å; Y156-A160 VanDerWaalsContact O-CB 3.22Å; Y156-A160 WeakPolarHBondContact O-CB 3.28Å; Y156-A160 PolarHBondContact O-N 3.1Å; Y156-L181 HydrophobicContact CD1-CD1 4.21Å; Y156-L181 HydrophobicContact CD1-CD2 3.6Å; Y156-L181 HydrophobicContact CE1-CD1 3.61Å; Y156-L181 HydrophobicContact CE1-CD2 3.31Å; Y156-L181 HydrophobicContact CE1-CG 4.11Å; Y156-L181 HydrophobicContact CG-CD2 4.31Å; Y156-Y185 PolarHBondContact OH-OH 2.82Å; Y156-L314 HydrophobicContact CD1-CD2 4.29Å; Y156-L314 HydrophobicContact CD2-CD1 4.46Å; Y156-L314 HydrophobicContact CD2-CD2 3.94Å; Y156-L314 HydrophobicContact CG-CD1 4.41Å; Y156-L314 HydrophobicContact CG-CD2 3.75Å; Y156-L314 HydrophobicContact CG-CG 4.21Å |
| 157 | L | 81.9 | Confident | 81.7 | Confident | 53 Ų | 53 | 55 Ų | 55 | 28% | 0.277 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 175.9 | -66.2 | -177.2 | 0 | 0 | 0 | 112.5 | S153 Q154 T155 A160 N161 S313 L314 | S153-L157 VanDerWaalsContact O-CG 3.28Å; S153-L157 WeakPolarHBondContact O-CG 3.18Å; S153-L157 PolarHBondContact O-N 3.15Å; Q154-L157 PolarHBondContact O-N 2.88Å; T155-L157 VanDerWaalsContact C-N 3.34Å; T155-L157 PolarHBondContact O-N 3.35Å; L157-A160 WeakPolarHBondContact O-CB 3.35Å; L157-A160 PolarHBondContact O-N 2.9Å; L157-N161 PolarHBondContact O-N 3.39Å; L157-N161 PolarHBondContact O-ND2 3.48Å; L157-S313 WeakPolarHBondContact CD2-O 3.21Å; L157-S313 WeakPolarHBondContact CD2-OG 3.5Å; L157-L314 HydrophobicContact CD2-CD1 4.08Å; L157-L314 HydrophobicContact CG-CD1 4.41Å |
| 158 | Q | 84 | Confident | 80.9 | Confident | 128 Ų | 128 | 60 Ų | 60 | 60% | 0.598 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.6 | -49.3 | 178.2 | -177.5 | -177.5 | -6.3 | 0 | 0 | 111 | Q154 T155 Y156 A160 N161 S162 | Q154-Q158 WeakPolarHBondContact O-CB 3.37Å; Q154-Q158 PolarHBondContact O-N 2.89Å; T155-Q158 PolarHBondContact O-N 3.18Å; Y156-Q158 VanDerWaalsContact C-N 3.32Å; Y156-Q158 PolarHBondContact O-N 2.99Å; Q158-A160 PolarHBondContact O-N 3.38Å; Q158-N161 PolarHBondContact O-N 3.4Å; Q158-N161 VanDerWaalsContact O-N 3.11Å; Q158-S162 PolarHBondContact O-N 3.05Å; Q158-S162 PolarHBondContact O-OG 3.37Å |
| 159 | L | 83.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.7 | -24 | 173.4 | -64.5 | 172.7 | 0 | 0 | 0 | 111.4 | T155 Y156 N161 Y173 Y176 M177 V180 L181 T317 | T155-L159 HydrophobicContact CG2-CD1 4.03Å; T155-L159 HydrophobicContact CG2-CG 4.45Å; T155-L159 WeakPolarHBondContact O-CG 3.41Å; T155-L159 PolarHBondContact O-N 3.39Å; Y156-L159 PolarHBondContact O-N 2.85Å; L159-N161 VanDerWaalsContact C-N 3.35Å; L159-Y173 PolarHBondContact O-OH 2.94Å; L159-Y176 HydrophobicContact CD2-CD1 4.4Å; L159-Y176 HydrophobicContact CD2-CE1 3.81Å; L159-M177 HydrophobicContact CB-CE 3.78Å; L159-M177 HydrophobicContact CB-CG 4.39Å; L159-M177 HydrophobicContact CD1-CB 4.37Å; L159-M177 HydrophobicContact CD1-CE 4.34Å; L159-M177 HydrophobicContact CD1-CG 4.36Å; L159-M177 HydrophobicContact CD2-CG 4.23Å; L159-V180 HydrophobicContact CD1-CB 4.21Å; L159-V180 HydrophobicContact CD1-CG1 4.05Å; L159-V180 HydrophobicContact CD2-CB 4.14Å; L159-V180 HydrophobicContact CD2-CG1 4.06Å; L159-V180 HydrophobicContact CD2-CG2 4.25Å; L159-V180 HydrophobicContact CG-CG1 4.34Å; L159-L181 HydrophobicContact CD1-CD1 4.37Å; L159-L181 HydrophobicContact CD1-CD2 3.85Å; L159-L181 HydrophobicContact CD1-CG 3.76Å; L159-T317 WeakPolarHBondContact O-CG2 3.44Å |
| 160 | A | 76.1 | Confident | 80.2 | Confident | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.033 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.2 | -34.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y156 L157 Q158 T317 | Y156-A160 VanDerWaalsContact O-CB 3.22Å; Y156-A160 WeakPolarHBondContact O-CB 3.28Å; Y156-A160 PolarHBondContact O-N 3.1Å; L157-A160 WeakPolarHBondContact O-CB 3.35Å; L157-A160 PolarHBondContact O-N 2.9Å; Q158-A160 PolarHBondContact O-N 3.38Å; A160-T317 WeakPolarHBondContact CA-OG1 3.35Å; A160-T317 HydrophobicContact CB-CG2 4.29Å; A160-T317 WeakPolarHBondContact CB-OG1 3.13Å; A160-T317 VanDerWaalsContact O-CA 3.26Å; A160-T317 WeakPolarHBondContact O-CA 3.24Å; A160-T317 WeakPolarHBondContact O-CG2 3.22Å |
| 161 | N | 75.9 | Confident | 79.9 | Confident | 103 Ų | 103 | 62.7 Ų | 62.7 | 55% | 0.551 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -109 | -5.1 | -169.6 | -66.9 | -58.6 | 0 | 0 | 0 | 113.3 | L157 Q158 L159 | L157-N161 PolarHBondContact O-N 3.39Å; L157-N161 PolarHBondContact O-ND2 3.48Å; Q158-N161 PolarHBondContact O-N 3.4Å; Q158-N161 VanDerWaalsContact O-N 3.11Å; L159-N161 VanDerWaalsContact C-N 3.35Å |
| 162 | S | 71.4 | Confident | 79.6 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | trans | -141.6 | 126.3 | -177.3 | 63.3 | 0 | 0 | 0 | 0 | 112 | Q158 P164 Y173 | Q158-S162 PolarHBondContact O-N 3.05Å; Q158-S162 PolarHBondContact O-OG 3.37Å; S162-P164 VanDerWaalsContact C-CD 3.5Å; S162-P164 WeakPolarHBondContact O-CD 3.47Å; S162-Y173 PolarHBondContact O-OH 3.39Å | ||
| 163 | N | 72.7 | Confident | 79.3 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 22% | 0.219 | 33% | 0.33 | C | S | . | . | trans | -104.2 | 85 | 165.7 | 177.3 | 1.6 | 0 | 0 | 0 | 108.8 | V165 N166 S167 Y173 | N163-V165 VanDerWaalsContact C-N 3.26Å; N163-V165 PolarHBondContact O-N 3.21Å; N163-V165 WeakPolarHBondContact OD1-CG2 3.28Å; N163-V165 PolarHBondContact OD1-N 3.18Å; N163-N166 PolarHBondContact O-N 3.14Å; N163-N166 VanDerWaalsContact O-N 3.1Å; N163-N166 PolarHBondContact O-OD1 2.85Å; N163-N166 PolarHBondContact OD1-N 2.68Å; N163-S167 PolarHBondContact ND2-O 2.92Å; N163-Y173 HydrophobicContact CB-CD2 4.21Å; N163-Y173 HydrophobicContact CB-CE2 3.77Å; N163-Y173 WeakPolarHBondContact OD1-CD2 3.45Å; N163-Y173 WeakPolarHBondContact OD1-CE2 3.35Å | ||
| 164 | P | 70.7 | Confident | 79.3 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -19.2 | -172.5 | 28.8 | -35.8 | 0 | 0 | 0 | 113.5 | S162 N166 Y176 | S162-P164 VanDerWaalsContact C-CD 3.5Å; S162-P164 WeakPolarHBondContact O-CD 3.47Å; P164-N166 PolarHBondContact O-N 2.91Å; P164-Y176 HydrophobicContact CG-CD1 4.34Å; P164-Y176 HydrophobicContact CG-CE1 3.36Å; P164-Y176 HydrophobicContact CG-CE2 4.31Å; P164-Y176 WeakPolarHBondContact CG-OH 2.93Å |
| 165 | V | 72.6 | Confident | 79.2 | Confident | 56 Ų | 56 | 61 Ų | 61 | 34% | 0.339 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -6 | 174.3 | -65 | 0 | 0 | 0 | 0 | 112 | N163 S167 Y173 Y176 | N163-V165 VanDerWaalsContact C-N 3.26Å; N163-V165 PolarHBondContact O-N 3.21Å; N163-V165 WeakPolarHBondContact OD1-CG2 3.28Å; N163-V165 PolarHBondContact OD1-N 3.18Å; V165-S167 PolarHBondContact O-N 3.14Å; V165-Y173 HydrophobicContact CG2-CD2 3.94Å; V165-Y176 HydrophobicContact CG1-CD1 4.38Å; V165-Y176 HydrophobicContact CG1-CD2 3.47Å; V165-Y176 VanDerWaalsContact CG1-CD2 3.47Å; V165-Y176 HydrophobicContact CG1-CE2 3.91Å; V165-Y176 HydrophobicContact CG1-CG 3.74Å; V165-Y176 HydrophobicContact CG2-CG 4.29Å |
| 166 | N | 73.6 | Confident | 79.2 | Confident | 140 Ų | 140 | 64 Ų | 64 | 75% | 0.749 | 33% | 0.325 | S | S | * | . | trans | 47.5 | 25.5 | -174.7 | -70.4 | -33.3 | 0 | 0 | 0 | 112.9 | N163 P164 R168 | N163-N166 PolarHBondContact O-N 3.14Å; N163-N166 VanDerWaalsContact O-N 3.1Å; N163-N166 PolarHBondContact O-OD1 2.85Å; N163-N166 PolarHBondContact OD1-N 2.68Å; P164-N166 PolarHBondContact O-N 2.91Å; N166-R168 PolarHBondContact O-N 3.06Å | ||
| 167 | S | 72.4 | Confident | 79.4 | Confident | 10 Ų | 10 | 63.5 Ų | 63.5 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | trans | -76.1 | 129.7 | -176.2 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | N163 V165 N169 E172 Y321 | N163-S167 PolarHBondContact ND2-O 2.92Å; V165-S167 PolarHBondContact O-N 3.14Å; S167-N169 VanDerWaalsContact C-N 3.27Å; S167-N169 PolarHBondContact OG-N 3.45Å; S167-N169 PolarHBondContact OG-O 3.26Å; S167-E172 WeakPolarHBondContact CB-OE2 3.11Å; S167-E172 VanDerWaalsContact OG-CD 3.27Å; S167-E172 PolarHBondContact OG-OE2 3.28Å; S167-Y321 PolarHBondContact O-OH 3.3Å | ||
| 168 | R | 75 | Confident | 79.7 | Confident | 224 Ų | 224 | 62.8 Ų | 62.8 | 85% | 0.845 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -85.1 | -3.1 | 167.9 | -62.5 | -176 | -178.7 | -178.4 | -1.4 | 112.1 | N166 Y321 | N166-R168 PolarHBondContact O-N 3.06Å; R168-Y321 WeakPolarHBondContact CA-OH 3.42Å; R168-Y321 PolarHBondContact O-OH 3.18Å |
| 169 | N | 82.3 | Confident | 79.9 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | trans | -92.9 | 117.1 | 173.8 | -175.4 | -32.7 | 0 | 0 | 0 | 110.1 | S167 D171 E172 Y173 Y321 | S167-N169 VanDerWaalsContact C-N 3.27Å; S167-N169 PolarHBondContact OG-N 3.45Å; S167-N169 PolarHBondContact OG-O 3.26Å; N169-D171 VanDerWaalsContact C-N 3.29Å; N169-D171 PolarHBondContact O-N 3.48Å; N169-D171 WeakPolarHBondContact OD1-CB 3.14Å; N169-D171 PolarHBondContact OD1-N 3.46Å; N169-E172 HydrophobicContact CB-CB 3.95Å; N169-E172 PolarHBondContact O-N 3.21Å; N169-E172 PolarHBondContact OD1-N 3.22Å; N169-Y173 PolarHBondContact O-N 3.28Å; N169-Y321 PolarHBondContact N-OH 3.24Å | ||
| 170 | A | 80.6 | Confident | 80.1 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 21% | 0.207 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.1 | -37.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | F96 Y173 A174 Y321 | F96-A170 HydrophobicContact CB-CB 4.06Å; F96-A170 HydrophobicContact CD2-CB 4.29Å; F96-A170 VanDerWaalsContact CD2-O 3.23Å; F96-A170 WeakPolarHBondContact CD2-O 3.22Å; F96-A170 HydrophobicContact CG-CB 4.49Å; A170-Y173 PolarHBondContact O-N 2.72Å; A170-A174 WeakPolarHBondContact O-CB 3.26Å; A170-A174 PolarHBondContact O-N 2.96Å; A170-Y321 HydrophobicContact CB-CE1 3.89Å; A170-Y321 PolarHBondContact N-OH 3.37Å; A170-Y321 VanDerWaalsContact N-OH 3.16Å |
| 171 | D | 82.9 | Confident | 80.8 | Confident | 62 Ų | 62 | 61.6 Ų | 61.6 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | -179.5 | -63.8 | -25.4 | 0 | 0 | 0 | 112 | H95 N169 Y173 A174 N175 | H95-D171 IonicContact CD2-OD1 3.21Å; H95-D171 PolarHBondContact CD2-OD1 3.49Å; H95-D171 IonicContact CD2-OD2 3.85Å; H95-D171 IonicContact NE2-OD1 2.98Å; N169-D171 VanDerWaalsContact C-N 3.29Å; N169-D171 PolarHBondContact O-N 3.48Å; N169-D171 WeakPolarHBondContact OD1-CB 3.14Å; N169-D171 PolarHBondContact OD1-N 3.46Å; D171-Y173 VanDerWaalsContact C-N 3.34Å; D171-A174 PolarHBondContact O-N 2.95Å; D171-N175 WeakPolarHBondContact O-CB 3.37Å; D171-N175 PolarHBondContact O-N 3.46Å; D171-N175 PolarHBondContact O-ND2 3.32Å; D171-N175 VanDerWaalsContact O-ND2 3.12Å |
| 172 | E | 82.5 | Confident | 81.5 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 49% | 0.486 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 173.3 | -174.4 | -177 | -178.3 | 0 | 0 | 110.3 | S167 N169 A174 N175 Y176 | S167-E172 WeakPolarHBondContact CB-OE2 3.11Å; S167-E172 VanDerWaalsContact OG-CD 3.27Å; S167-E172 PolarHBondContact OG-OE2 3.28Å; N169-E172 HydrophobicContact CB-CB 3.95Å; N169-E172 PolarHBondContact O-N 3.21Å; N169-E172 PolarHBondContact OD1-N 3.22Å; E172-A174 PolarHBondContact O-N 3.42Å; E172-N175 PolarHBondContact O-N 2.97Å; E172-Y176 PolarHBondContact O-N 2.73Å |
| 173 | Y | 82.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 176.1 | -172.3 | -128 | 0 | 0 | 0 | 112.4 | F96 L159 S162 N163 V165 N169 A170 D171 N175 Y176 M177 Y321 | F96-Y173 AromaticContact CE2-CD1 3.64Å; F96-Y173 HydrophobicContact CE2-CD1 3.64Å; F96-Y173 HydrophobicContact CE2-CE1 4.35Å; F96-Y173 HydrophobicContact CE2-CG 4.36Å; F96-Y173 AromaticContact CZ-CD1 3.79Å; F96-Y173 HydrophobicContact CZ-CD1 3.79Å; F96-Y173 HydrophobicContact CZ-CE1 4.06Å; L159-Y173 PolarHBondContact O-OH 2.94Å; S162-Y173 PolarHBondContact O-OH 3.39Å; N163-Y173 HydrophobicContact CB-CD2 4.21Å; N163-Y173 HydrophobicContact CB-CE2 3.77Å; N163-Y173 WeakPolarHBondContact OD1-CD2 3.45Å; N163-Y173 WeakPolarHBondContact OD1-CE2 3.35Å; V165-Y173 HydrophobicContact CG2-CD2 3.94Å; N169-Y173 PolarHBondContact O-N 3.28Å; A170-Y173 PolarHBondContact O-N 2.72Å; D171-Y173 VanDerWaalsContact C-N 3.34Å; Y173-N175 VanDerWaalsContact C-N 3.31Å; Y173-N175 PolarHBondContact O-N 3.45Å; Y173-Y176 HydrophobicContact CD2-CD1 4.18Å; Y173-Y176 AromaticContact CE2-CD1 3.95Å; Y173-Y176 HydrophobicContact CE2-CD1 3.95Å; Y173-Y176 WeakPolarHBondContact O-CB 3.42Å; Y173-Y176 PolarHBondContact O-N 3.32Å; Y173-M177 HydrophobicContact CD1-SD 4.08Å; Y173-M177 HydrophobicContact CD2-CG 4.47Å; Y173-M177 HydrophobicContact CE1-CG 4.13Å; Y173-M177 HydrophobicContact CE1-SD 3.56Å; Y173-M177 VanDerWaalsContact CE1-SD 3.56Å; Y173-M177 HydrophobicContact CE2-CG 4.04Å; Y173-M177 WeakPolarHBondContact O-CG 3.44Å; Y173-M177 PolarHBondContact O-N 3.48Å; Y173-Y321 HydrophobicContact CD1-CD2 4.26Å; Y173-Y321 HydrophobicContact CD1-CE2 4.3Å |
| 174 | A | 85.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F96 I99 M100 A170 D171 E172 M177 K178 | F96-A174 HydrophobicContact CD2-CB 3.64Å; F96-A174 HydrophobicContact CE2-CB 3.79Å; I99-A174 HydrophobicContact CG2-CB 4.16Å; M100-A174 HydrophobicContact SD-CB 4.14Å; A170-A174 WeakPolarHBondContact O-CB 3.26Å; A170-A174 PolarHBondContact O-N 2.96Å; D171-A174 PolarHBondContact O-N 2.95Å; E172-A174 PolarHBondContact O-N 3.42Å; A174-M177 PolarHBondContact O-N 3.28Å; A174-K178 WeakPolarHBondContact O-CB 3.28Å; A174-K178 WeakPolarHBondContact O-CE 3.37Å; A174-K178 VanDerWaalsContact O-CG 3.28Å; A174-K178 WeakPolarHBondContact O-CG 3.33Å; A174-K178 PolarHBondContact O-N 3.07Å |
| 175 | N | 86.7 | Confident | 84.1 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.4 | -72.3 | -30.7 | 0 | 0 | 0 | 111.8 | D171 E172 Y173 K178 S179 | D171-N175 WeakPolarHBondContact O-CB 3.37Å; D171-N175 PolarHBondContact O-N 3.46Å; D171-N175 PolarHBondContact O-ND2 3.32Å; D171-N175 VanDerWaalsContact O-ND2 3.12Å; E172-N175 PolarHBondContact O-N 2.97Å; Y173-N175 VanDerWaalsContact C-N 3.31Å; Y173-N175 PolarHBondContact O-N 3.45Å; N175-K178 PolarHBondContact O-N 3.23Å; N175-K178 WeakPolarHBondContact OD1-CE 3.41Å; N175-K178 PolarHBondContact OD1-NZ 3.36Å; N175-S179 WeakPolarHBondContact O-CB 3.13Å; N175-S179 PolarHBondContact O-N 3.25Å |
| 176 | Y | 86.9 | Confident | 85 | Confident | 75 Ų | 75 | 58.9 Ų | 58.9 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59 | -51.3 | 172.5 | 174.3 | -99.2 | 0 | 0 | 0 | 111.7 | L159 P164 V165 E172 Y173 K178 S179 V180 | L159-Y176 HydrophobicContact CD2-CD1 4.4Å; L159-Y176 HydrophobicContact CD2-CE1 3.81Å; P164-Y176 HydrophobicContact CG-CD1 4.34Å; P164-Y176 HydrophobicContact CG-CE1 3.36Å; P164-Y176 HydrophobicContact CG-CE2 4.31Å; P164-Y176 WeakPolarHBondContact CG-OH 2.93Å; V165-Y176 HydrophobicContact CG1-CD1 4.38Å; V165-Y176 HydrophobicContact CG1-CD2 3.47Å; V165-Y176 VanDerWaalsContact CG1-CD2 3.47Å; V165-Y176 HydrophobicContact CG1-CE2 3.91Å; V165-Y176 HydrophobicContact CG1-CG 3.74Å; V165-Y176 HydrophobicContact CG2-CG 4.29Å; E172-Y176 PolarHBondContact O-N 2.73Å; Y173-Y176 HydrophobicContact CD2-CD1 4.18Å; Y173-Y176 AromaticContact CE2-CD1 3.95Å; Y173-Y176 HydrophobicContact CE2-CD1 3.95Å; Y173-Y176 WeakPolarHBondContact O-CB 3.42Å; Y173-Y176 PolarHBondContact O-N 3.32Å; Y176-K178 PolarHBondContact O-N 3.2Å; Y176-S179 WeakPolarHBondContact O-CB 3.03Å; Y176-S179 PolarHBondContact O-N 3.1Å; Y176-S179 VanDerWaalsContact O-N 3.1Å; Y176-V180 HydrophobicContact CD1-CG2 4.37Å; Y176-V180 HydrophobicContact CD2-CG2 4.39Å; Y176-V180 HydrophobicContact CE1-CG2 3.8Å; Y176-V180 HydrophobicContact CE2-CG2 3.84Å; Y176-V180 VanDerWaalsContact CZ-CG2 3.49Å; Y176-V180 PolarHBondContact O-N 3.26Å |
| 177 | M | 87 | Confident | 85.9 | Confident | 13 Ų | 13 | 56 Ų | 56 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 178.5 | -73.1 | -176.8 | 76.6 | 0 | 0 | 112.2 | F96 M100 L159 Y173 A174 S179 V180 L181 | F96-M177 HydrophobicContact CE2-SD 4.06Å; F96-M177 HydrophobicContact CZ-SD 3.52Å; F96-M177 VanDerWaalsContact CZ-SD 3.52Å; M100-M177 HydrophobicContact CE-CB 3.8Å; M100-M177 HydrophobicContact CE-CE 4Å; M100-M177 HydrophobicContact CE-SD 4.3Å; M100-M177 HydrophobicContact SD-CB 4.05Å; M100-M177 HydrophobicContact SD-SD 4.47Å; L159-M177 HydrophobicContact CB-CE 3.78Å; L159-M177 HydrophobicContact CB-CG 4.39Å; L159-M177 HydrophobicContact CD1-CB 4.37Å; L159-M177 HydrophobicContact CD1-CE 4.34Å; L159-M177 HydrophobicContact CD1-CG 4.36Å; L159-M177 HydrophobicContact CD2-CG 4.23Å; Y173-M177 HydrophobicContact CD1-SD 4.08Å; Y173-M177 HydrophobicContact CD2-CG 4.47Å; Y173-M177 HydrophobicContact CE1-CG 4.13Å; Y173-M177 HydrophobicContact CE1-SD 3.56Å; Y173-M177 VanDerWaalsContact CE1-SD 3.56Å; Y173-M177 HydrophobicContact CE2-CG 4.04Å; Y173-M177 WeakPolarHBondContact O-CG 3.44Å; Y173-M177 PolarHBondContact O-N 3.48Å; A174-M177 PolarHBondContact O-N 3.28Å; M177-S179 VanDerWaalsContact C-N 3.28Å; M177-S179 PolarHBondContact O-N 2.84Å; M177-V180 PolarHBondContact O-N 2.88Å; M177-L181 WeakPolarHBondContact O-CB 3.35Å; M177-L181 VanDerWaalsContact O-CG 3.26Å; M177-L181 WeakPolarHBondContact O-CG 2.95Å; M177-L181 PolarHBondContact O-N 3.38Å |
| 178 | K | 88.5 | Confident | 86.8 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 175.4 | -74.7 | 179.9 | -60.7 | -172.3 | 0 | 111.4 | I99 M100 F103 A174 N175 Y176 R182 | I99-K178 HydrophobicContact CG2-CD 4.02Å; M100-K178 HydrophobicContact SD-CG 4.09Å; F103-K178 HydrophobicContact CB-CD 4.26Å; F103-K178 HydrophobicContact CB-CG 4.19Å; F103-K178 HydrophobicContact CD1-CG 4.04Å; F103-K178 HydrophobicContact CD2-CB 4.47Å; F103-K178 HydrophobicContact CD2-CD 4.22Å; F103-K178 HydrophobicContact CD2-CG 3.96Å; F103-K178 HydrophobicContact CE1-CG 4.49Å; F103-K178 HydrophobicContact CE2-CB 4.46Å; F103-K178 HydrophobicContact CE2-CG 4.42Å; F103-K178 HydrophobicContact CG-CD 4.21Å; F103-K178 HydrophobicContact CG-CG 3.76Å; A174-K178 WeakPolarHBondContact O-CB 3.28Å; A174-K178 WeakPolarHBondContact O-CE 3.37Å; A174-K178 VanDerWaalsContact O-CG 3.28Å; A174-K178 WeakPolarHBondContact O-CG 3.33Å; A174-K178 PolarHBondContact O-N 3.07Å; N175-K178 PolarHBondContact O-N 3.23Å; N175-K178 WeakPolarHBondContact OD1-CE 3.41Å; N175-K178 PolarHBondContact OD1-NZ 3.36Å; Y176-K178 PolarHBondContact O-N 3.2Å; K178-R182 WeakPolarHBondContact O-CB 3.43Å; K178-R182 WeakPolarHBondContact O-CG 3.44Å; K178-R182 PolarHBondContact O-N 3.4Å |
| 179 | S | 88.5 | Confident | 87.6 | Confident | 77 Ų | 77 | 45.1 Ų | 45.1 | 54% | 0.538 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.1 | -50 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | N175 Y176 M177 L181 R182 S183 | N175-S179 WeakPolarHBondContact O-CB 3.13Å; N175-S179 PolarHBondContact O-N 3.25Å; Y176-S179 WeakPolarHBondContact O-CB 3.03Å; Y176-S179 PolarHBondContact O-N 3.1Å; Y176-S179 VanDerWaalsContact O-N 3.1Å; M177-S179 VanDerWaalsContact C-N 3.28Å; M177-S179 PolarHBondContact O-N 2.84Å; S179-L181 PolarHBondContact O-N 3.1Å; S179-R182 PolarHBondContact O-N 3.23Å; S179-S183 PolarHBondContact O-N 2.89Å |
| 180 | V | 88.8 | Confident | 88 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 21% | 0.212 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 178.2 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | T155 L159 Y176 M177 S183 T184 | T155-V180 HydrophobicContact CG2-CG1 3.88Å; L159-V180 HydrophobicContact CD1-CB 4.21Å; L159-V180 HydrophobicContact CD1-CG1 4.05Å; L159-V180 HydrophobicContact CD2-CB 4.14Å; L159-V180 HydrophobicContact CD2-CG1 4.06Å; L159-V180 HydrophobicContact CD2-CG2 4.25Å; L159-V180 HydrophobicContact CG-CG1 4.34Å; Y176-V180 HydrophobicContact CD1-CG2 4.37Å; Y176-V180 HydrophobicContact CD2-CG2 4.39Å; Y176-V180 HydrophobicContact CE1-CG2 3.8Å; Y176-V180 HydrophobicContact CE2-CG2 3.84Å; Y176-V180 VanDerWaalsContact CZ-CG2 3.49Å; Y176-V180 PolarHBondContact O-N 3.26Å; M177-V180 PolarHBondContact O-N 2.88Å; V180-S183 PolarHBondContact O-N 3.49Å; V180-T184 WeakPolarHBondContact O-CB 3.16Å; V180-T184 PolarHBondContact O-N 2.87Å; V180-T184 PolarHBondContact O-OG1 3.07Å |
| 181 | L | 89.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | 179.2 | -70.8 | 172.3 | 0 | 0 | 0 | 111.7 | M100 F103 T155 Y156 L159 M177 S179 S183 T184 Y185 | M100-L181 HydrophobicContact CE-CD1 3.77Å; F103-L181 HydrophobicContact CD1-CD1 4.13Å; F103-L181 HydrophobicContact CE1-CB 3.59Å; F103-L181 HydrophobicContact CE1-CD1 3.69Å; F103-L181 HydrophobicContact CE1-CG 4.31Å; F103-L181 HydrophobicContact CZ-CB 4.01Å; T155-L181 HydrophobicContact CG2-CD2 3.97Å; Y156-L181 HydrophobicContact CD1-CD1 4.21Å; Y156-L181 HydrophobicContact CD1-CD2 3.6Å; Y156-L181 HydrophobicContact CE1-CD1 3.61Å; Y156-L181 HydrophobicContact CE1-CD2 3.31Å; Y156-L181 HydrophobicContact CE1-CG 4.11Å; Y156-L181 HydrophobicContact CG-CD2 4.31Å; L159-L181 HydrophobicContact CD1-CD1 4.37Å; L159-L181 HydrophobicContact CD1-CD2 3.85Å; L159-L181 HydrophobicContact CD1-CG 3.76Å; M177-L181 WeakPolarHBondContact O-CB 3.35Å; M177-L181 VanDerWaalsContact O-CG 3.26Å; M177-L181 WeakPolarHBondContact O-CG 2.95Å; M177-L181 PolarHBondContact O-N 3.38Å; S179-L181 PolarHBondContact O-N 3.1Å; L181-S183 VanDerWaalsContact C-N 3.33Å; L181-S183 PolarHBondContact O-N 3.28Å; L181-T184 PolarHBondContact O-N 3.3Å; L181-T184 VanDerWaalsContact O-N 3.15Å; L181-Y185 HydrophobicContact CB-CD2 4.43Å; L181-Y185 HydrophobicContact CB-CE2 4.41Å; L181-Y185 WeakPolarHBondContact O-CD2 3.22Å; L181-Y185 PolarHBondContact O-N 2.74Å |
| 182 | R | 90.6 | Very high | 89.1 | Confident | 120 Ų | 120 | 43.8 Ų | 43.8 | 45% | 0.453 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.6 | -47.3 | 174.3 | -76.4 | 175.3 | -177.3 | 177 | -1 | 111.4 | F103 K178 S179 T184 Y185 C186 P221 | F103-R182 HydrophobicContact CE2-CG 3.75Å; F103-R182 HydrophobicContact CZ-CG 3.71Å; K178-R182 WeakPolarHBondContact O-CB 3.43Å; K178-R182 WeakPolarHBondContact O-CG 3.44Å; K178-R182 PolarHBondContact O-N 3.4Å; S179-R182 PolarHBondContact O-N 3.23Å; R182-T184 VanDerWaalsContact C-N 3.29Å; R182-T184 PolarHBondContact O-N 2.93Å; R182-Y185 PolarHBondContact O-N 3.01Å; R182-C186 WeakPolarHBondContact O-CB 2.99Å; R182-C186 PolarHBondContact O-N 2.78Å; R182-C186 PolarHBondContact O-SG 3.47Å; R182-P221 HydrophobicContact CB-CG 4.39Å; R182-P221 HydrophobicContact CG-CB 4.25Å; R182-P221 HydrophobicContact CG-CG 4.41Å |
| 183 | S | 90.5 | Very high | 89.6 | Confident | 70 Ų | 70 | 39.2 Ų | 39.2 | 49% | 0.49 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.7 | -39 | 176.9 | -177 | 0 | 0 | 0 | 0 | 112.5 | S179 V180 L181 C186 T187 | S179-S183 PolarHBondContact O-N 2.89Å; V180-S183 PolarHBondContact O-N 3.49Å; L181-S183 VanDerWaalsContact C-N 3.33Å; L181-S183 PolarHBondContact O-N 3.28Å; S183-C186 WeakPolarHBondContact O-CB 3.32Å; S183-C186 PolarHBondContact O-N 2.94Å; S183-T187 WeakPolarHBondContact O-CB 3.49Å; S183-T187 PolarHBondContact O-N 2.97Å; S183-T187 PolarHBondContact O-OG1 3.19Å |
| 184 | T | 90.1 | Very high | 90.2 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 10% | 0.104 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.5 | -44.7 | 177.4 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | L151 L152 T155 V180 L181 R182 C186 T187 G188 | L151-T184 HydrophobicContact CD1-CG2 4.37Å; L151-T184 HydrophobicContact CD2-CG2 4.21Å; L151-T184 HydrophobicContact CG-CG2 3.9Å; L152-T184 HydrophobicContact CD2-CG2 3.86Å; T155-T184 HydrophobicContact CG2-CG2 4.15Å; T155-T184 WeakPolarHBondContact CG2-OG1 3.18Å; T155-T184 VanDerWaalsContact OG1-CG2 3.29Å; T155-T184 WeakPolarHBondContact OG1-CG2 3.41Å; V180-T184 WeakPolarHBondContact O-CB 3.16Å; V180-T184 PolarHBondContact O-N 2.87Å; V180-T184 PolarHBondContact O-OG1 3.07Å; L181-T184 PolarHBondContact O-N 3.3Å; L181-T184 VanDerWaalsContact O-N 3.15Å; R182-T184 VanDerWaalsContact C-N 3.29Å; R182-T184 PolarHBondContact O-N 2.93Å; T184-C186 VanDerWaalsContact C-N 3.31Å; T184-C186 PolarHBondContact O-N 3.19Å; T184-T187 PolarHBondContact O-N 3.37Å; T184-G188 WeakPolarHBondContact O-CA 3.48Å; T184-G188 PolarHBondContact O-N 3.47Å |
| 185 | Y | 90 | Very high | 90.7 | Very high | 31 Ų | 31 | 44.3 Ų | 44.3 | 12% | 0.122 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.9 | -45.1 | 172.6 | -81.6 | -63.3 | 0 | 0 | 0 | 111.4 | F103 Y148 L152 Y156 L181 R182 T189 | F103-Y185 HydrophobicContact CE1-CE2 4.43Å; Y148-Y185 VanDerWaalsContact OH-CD1 3.24Å; Y148-Y185 WeakPolarHBondContact OH-CD1 3.26Å; L152-Y185 HydrophobicContact CD1-CD1 4.12Å; L152-Y185 HydrophobicContact CD1-CE1 3.61Å; L152-Y185 HydrophobicContact CD2-CD1 3.74Å; L152-Y185 HydrophobicContact CD2-CE1 3.66Å; L152-Y185 HydrophobicContact CD2-CE2 4.48Å; L152-Y185 HydrophobicContact CD2-CG 4.17Å; L152-Y185 HydrophobicContact CG-CE1 4.32Å; Y156-Y185 PolarHBondContact OH-OH 2.82Å; L181-Y185 HydrophobicContact CB-CD2 4.43Å; L181-Y185 HydrophobicContact CB-CE2 4.41Å; L181-Y185 WeakPolarHBondContact O-CD2 3.22Å; L181-Y185 PolarHBondContact O-N 2.74Å; R182-Y185 PolarHBondContact O-N 3.01Å; Y185-T189 VanDerWaalsContact O-CB 3.25Å; Y185-T189 WeakPolarHBondContact O-CB 3.37Å; Y185-T189 PolarHBondContact O-N 3.01Å; Y185-T189 PolarHBondContact O-OG1 2.64Å |
| 186 | C | 91.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 14% | 0.135 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -60.2 | 176.6 | -75 | 0 | 0 | 0 | 0 | 112.9 | R182 S183 T184 G188 T189 I190 C224 | R182-C186 WeakPolarHBondContact O-CB 2.99Å; R182-C186 PolarHBondContact O-N 2.78Å; R182-C186 PolarHBondContact O-SG 3.47Å; S183-C186 WeakPolarHBondContact O-CB 3.32Å; S183-C186 PolarHBondContact O-N 2.94Å; T184-C186 VanDerWaalsContact C-N 3.31Å; T184-C186 PolarHBondContact O-N 3.19Å; C186-G188 VanDerWaalsContact C-N 3.35Å; C186-G188 PolarHBondContact O-N 2.88Å; C186-T189 PolarHBondContact O-N 3.11Å; C186-I190 VanDerWaalsContact O-CG1 3.3Å; C186-I190 WeakPolarHBondContact O-CG1 3.07Å; C186-I190 PolarHBondContact O-N 2.69Å; C186-I190 VanDerWaalsContact O-N 3.08Å; C186-C224 WeakPolarHBondContact CA-SG 2.88Å; C186-C224 HydrophobicContact CB-CB 4.38Å; C186-C224 WeakPolarHBondContact CB-SG 3.31Å; C186-C224 WeakPolarHBondContact SG-CB 3.39Å; C186-C224 CovalentContact SG-SG 2Å; C186-C224 PolarHBondContact SG-SG 3.42Å |
| 187 | T | 91.4 | Very high | 91.5 | Very high | 78 Ų | 78 | 40.7 Ų | 40.7 | 48% | 0.479 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.5 | -40.3 | -174.9 | -55 | 0 | 0 | 0 | 0 | 111.2 | S183 T184 I190 T191 | S183-T187 WeakPolarHBondContact O-CB 3.49Å; S183-T187 PolarHBondContact O-N 2.97Å; S183-T187 PolarHBondContact O-OG1 3.19Å; T184-T187 PolarHBondContact O-N 3.37Å; T187-I190 PolarHBondContact O-N 3.25Å; T187-T191 WeakPolarHBondContact O-CB 3.36Å; T187-T191 PolarHBondContact O-N 2.81Å; T187-T191 PolarHBondContact O-OG1 3.02Å |
| 188 | G | 91.9 | Very high | 92 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63 | -47.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T184 C186 I190 T191 K192 | T184-G188 WeakPolarHBondContact O-CA 3.48Å; T184-G188 PolarHBondContact O-N 3.47Å; C186-G188 VanDerWaalsContact C-N 3.35Å; C186-G188 PolarHBondContact O-N 2.88Å; G188-I190 PolarHBondContact O-N 3.23Å; G188-T191 PolarHBondContact O-N 3.42Å; G188-K192 WeakPolarHBondContact O-CB 3.14Å; G188-K192 PolarHBondContact O-N 3.43Å |
| 189 | T | 91.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 177.8 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | Y148 Y185 C186 T191 K192 V193 F216 L220 | Y148-T189 PolarHBondContact OH-OG1 2.7Å; Y185-T189 VanDerWaalsContact O-CB 3.25Å; Y185-T189 WeakPolarHBondContact O-CB 3.37Å; Y185-T189 PolarHBondContact O-N 3.01Å; Y185-T189 PolarHBondContact O-OG1 2.64Å; C186-T189 PolarHBondContact O-N 3.11Å; T189-T191 VanDerWaalsContact C-N 3.33Å; T189-T191 PolarHBondContact O-N 3.08Å; T189-K192 PolarHBondContact O-N 3.35Å; T189-V193 HydrophobicContact CG2-CG2 4.31Å; T189-V193 WeakPolarHBondContact O-CB 3.48Å; T189-V193 VanDerWaalsContact O-CG2 3.23Å; T189-V193 WeakPolarHBondContact O-CG2 3.49Å; T189-V193 PolarHBondContact O-N 2.91Å; T189-F216 HydrophobicContact CG2-CB 3.95Å; T189-L220 HydrophobicContact CG2-CD2 3.56Å; T189-L220 HydrophobicContact CG2-CG 4.31Å |
| 190 | I | 90.8 | Very high | 92.8 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.5 | -46.2 | 175.4 | -69.8 | 167.3 | 0 | 0 | 0 | 110.7 | C186 T187 G188 V193 N194 | C186-I190 VanDerWaalsContact O-CG1 3.3Å; C186-I190 WeakPolarHBondContact O-CG1 3.07Å; C186-I190 PolarHBondContact O-N 2.69Å; C186-I190 VanDerWaalsContact O-N 3.08Å; T187-I190 PolarHBondContact O-N 3.25Å; G188-I190 PolarHBondContact O-N 3.23Å; I190-V193 PolarHBondContact O-N 2.85Å; I190-N194 WeakPolarHBondContact O-CB 3.39Å; I190-N194 VanDerWaalsContact O-CG 3.3Å; I190-N194 PolarHBondContact O-N 3.18Å; I190-N194 PolarHBondContact O-ND2 2.88Å |
| 191 | T | 92.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 49% | 0.485 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 179.1 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | T187 G188 T189 V193 N194 C195 | T187-T191 WeakPolarHBondContact O-CB 3.36Å; T187-T191 PolarHBondContact O-N 2.81Å; T187-T191 PolarHBondContact O-OG1 3.02Å; G188-T191 PolarHBondContact O-N 3.42Å; T189-T191 VanDerWaalsContact C-N 3.33Å; T189-T191 PolarHBondContact O-N 3.08Å; T191-V193 PolarHBondContact O-N 2.87Å; T191-N194 PolarHBondContact O-N 3.14Å; T191-C195 WeakPolarHBondContact O-CB 3.34Å; T191-C195 PolarHBondContact O-N 3.42Å |
| 192 | K | 93 | Very high | 93.3 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57 | -48.9 | 174.8 | 177.6 | 174.3 | 171 | 170.4 | 0 | 111.3 | F54 C144 S145 Y148 G188 T189 N194 C195 I196 F216 | F54-K192 WeakPolarHBondContact O-CE 3.27Å; F54-K192 PolarHBondContact O-NZ 3.24Å; C144-K192 HydrophobicContact CB-CG 4.35Å; S145-K192 VanDerWaalsContact OG-CE 3.31Å; S145-K192 WeakPolarHBondContact OG-CE 3.42Å; S145-K192 PolarHBondContact OG-NZ 3.42Å; Y148-K192 HydrophobicContact CD1-CD 4.08Å; Y148-K192 HydrophobicContact CG-CB 4.45Å; Y148-K192 HydrophobicContact CG-CD 4.12Å; G188-K192 WeakPolarHBondContact O-CB 3.14Å; G188-K192 PolarHBondContact O-N 3.43Å; T189-K192 PolarHBondContact O-N 3.35Å; K192-N194 VanDerWaalsContact C-N 3.34Å; K192-N194 PolarHBondContact O-N 3.37Å; K192-C195 WeakPolarHBondContact O-CB 3.14Å; K192-C195 PolarHBondContact O-N 2.91Å; K192-I196 HydrophobicContact CG-CD1 3.94Å; K192-I196 WeakPolarHBondContact O-CG1 3.46Å; K192-I196 PolarHBondContact O-N 3.1Å; K192-F216 HydrophobicContact CD-CE1 4.48Å |
| 193 | V | 93.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | -179.8 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | T189 I190 T191 I196 K197 Q213 F216 | T189-V193 HydrophobicContact CG2-CG2 4.31Å; T189-V193 WeakPolarHBondContact O-CB 3.48Å; T189-V193 VanDerWaalsContact O-CG2 3.23Å; T189-V193 WeakPolarHBondContact O-CG2 3.49Å; T189-V193 PolarHBondContact O-N 2.91Å; I190-V193 PolarHBondContact O-N 2.85Å; T191-V193 PolarHBondContact O-N 2.87Å; V193-I196 PolarHBondContact O-N 3.18Å; V193-K197 WeakPolarHBondContact O-CB 3.38Å; V193-K197 PolarHBondContact O-N 3.4Å; V193-Q213 HydrophobicContact CG1-CB 4.15Å; V193-Q213 HydrophobicContact CG1-CG 3.6Å; V193-F216 HydrophobicContact CG2-CB 3.35Å; V193-F216 HydrophobicContact CG2-CD2 3.76Å; V193-F216 HydrophobicContact CG2-CG 3.77Å |
| 194 | N | 95.1 | Very high | 93.7 | Very high | 78 Ų | 78 | 50.4 Ų | 50.4 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.5 | -38.2 | 176.3 | -72.5 | -23 | 0 | 0 | 0 | 112.1 | I190 T191 K192 K197 K198 | I190-N194 WeakPolarHBondContact O-CB 3.39Å; I190-N194 VanDerWaalsContact O-CG 3.3Å; I190-N194 PolarHBondContact O-N 3.18Å; I190-N194 PolarHBondContact O-ND2 2.88Å; T191-N194 PolarHBondContact O-N 3.14Å; K192-N194 VanDerWaalsContact C-N 3.34Å; K192-N194 PolarHBondContact O-N 3.37Å; N194-K197 PolarHBondContact O-N 3.4Å; N194-K198 WeakPolarHBondContact O-CG 3.47Å; N194-K198 PolarHBondContact O-N 3.16Å; N194-K198 VanDerWaalsContact O-N 3.16Å |
| 195 | C | 96.3 | Very high | 94 | Very high | 33 Ų | 33 | 52 Ų | 52 | 22% | 0.223 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 172.9 | 179.6 | 0 | 0 | 0 | 0 | 111 | C144 T191 K192 K197 K198 I199 | C144-C195 HydrophobicContact CB-CB 3.7Å; C144-C195 WeakPolarHBondContact CB-SG 3.45Å; C144-C195 VanDerWaalsContact SG-C 3.51Å; C144-C195 WeakPolarHBondContact SG-CB 3.42Å; C144-C195 CovalentContact SG-SG 2.04Å; C144-C195 PolarHBondContact SG-SG 3.34Å; T191-C195 WeakPolarHBondContact O-CB 3.34Å; T191-C195 PolarHBondContact O-N 3.42Å; K192-C195 WeakPolarHBondContact O-CB 3.14Å; K192-C195 PolarHBondContact O-N 2.91Å; C195-K197 PolarHBondContact O-N 3.46Å; C195-K198 PolarHBondContact O-N 3Å; C195-I199 WeakPolarHBondContact O-CG1 3.38Å; C195-I199 PolarHBondContact O-N 3.26Å |
| 196 | I | 95.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 177.5 | -66.7 | 170.7 | 0 | 0 | 0 | 111.3 | F54 V141 C144 K192 V193 K198 I199 L200 I212 F216 | F54-I196 HydrophobicContact CD1-CD1 4.5Å; F54-I196 HydrophobicContact CD1-CG2 4.37Å; F54-I196 HydrophobicContact CE1-CG2 3.98Å; V141-I196 HydrophobicContact CG1-CD1 4.09Å; V141-I196 HydrophobicContact CG1-CG1 3.81Å; V141-I196 HydrophobicContact CG2-CG1 4.45Å; V141-I196 HydrophobicContact CG2-CG2 4.35Å; C144-I196 HydrophobicContact CB-CG1 4.08Å; K192-I196 HydrophobicContact CG-CD1 3.94Å; K192-I196 WeakPolarHBondContact O-CG1 3.46Å; K192-I196 PolarHBondContact O-N 3.1Å; V193-I196 PolarHBondContact O-N 3.18Å; I196-K198 VanDerWaalsContact C-N 3.33Å; I196-K198 PolarHBondContact O-N 2.57Å; I196-I199 PolarHBondContact O-N 3.5Å; I196-I199 VanDerWaalsContact O-N 3.15Å; I196-L200 HydrophobicContact CG2-CD1 3.84Å; I196-L200 HydrophobicContact CG2-CG 4.26Å; I196-L200 WeakPolarHBondContact O-CG 3.35Å; I196-L200 PolarHBondContact O-N 3.36Å; I196-L200 VanDerWaalsContact O-N 3.08Å; I196-I212 HydrophobicContact CG2-CG2 4.18Å; I196-F216 HydrophobicContact CD1-CD2 4.41Å; I196-F216 HydrophobicContact CD1-CE2 3.66Å; I196-F216 HydrophobicContact CD1-CZ 4.18Å |
| 197 | K | 96.2 | Very high | 94.5 | Very high | 84 Ų | 84 | 57 Ų | 57 | 37% | 0.365 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.4 | -47.9 | 179.3 | 176.4 | 179.1 | 173.3 | -175.9 | 0 | 111.6 | V193 N194 C195 I199 L200 E201 I209 | V193-K197 WeakPolarHBondContact O-CB 3.38Å; V193-K197 PolarHBondContact O-N 3.4Å; N194-K197 PolarHBondContact O-N 3.4Å; C195-K197 PolarHBondContact O-N 3.46Å; K197-I199 PolarHBondContact O-N 2.82Å; K197-L200 PolarHBondContact O-N 2.92Å; K197-L200 VanDerWaalsContact O-N 3.15Å; K197-E201 WeakPolarHBondContact O-CB 3.44Å; K197-E201 PolarHBondContact O-N 3.42Å; K197-I209 HydrophobicContact CB-CG2 4.43Å; K197-I209 HydrophobicContact CG-CG2 4.05Å |
| 198 | K | 96.8 | Very high | 94.7 | Very high | 147 Ų | 147 | 53.2 Ų | 53.2 | 64% | 0.639 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.6 | -34.8 | -179.9 | -74.7 | 179.5 | 178.2 | -174.7 | 0 | 113 | N194 C195 I196 | N194-K198 WeakPolarHBondContact O-CG 3.47Å; N194-K198 PolarHBondContact O-N 3.16Å; N194-K198 VanDerWaalsContact O-N 3.16Å; C195-K198 PolarHBondContact O-N 3Å; I196-K198 VanDerWaalsContact C-N 3.33Å; I196-K198 PolarHBondContact O-N 2.57Å |
| 199 | I | 96 | Very high | 94.9 | Very high | 34 Ų | 34 | 53.9 Ų | 53.9 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.7 | -39.8 | 177.9 | -63.9 | 168.7 | 0 | 0 | 0 | 110.6 | Y137 Q140 V141 C144 C195 I196 K197 | Y137-I199 HydrophobicContact CD1-CG2 4.02Å; Y137-I199 HydrophobicContact CG-CG2 4.28Å; Q140-I199 HydrophobicContact CB-CD1 4.29Å; Q140-I199 HydrophobicContact CB-CG2 4.08Å; V141-I199 HydrophobicContact CG2-CB 4.41Å; V141-I199 HydrophobicContact CG2-CD1 4.08Å; V141-I199 HydrophobicContact CG2-CG2 4.13Å; C144-I199 VanDerWaalsContact SG-CD1 3.56Å; C195-I199 WeakPolarHBondContact O-CG1 3.38Å; C195-I199 PolarHBondContact O-N 3.26Å; I196-I199 PolarHBondContact O-N 3.5Å; I196-I199 VanDerWaalsContact O-N 3.15Å; K197-I199 PolarHBondContact O-N 2.82Å |
| 200 | L | 96.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -90.3 | -21 | -171.5 | -61.8 | -172.2 | 0 | 0 | 0 | 114.7 | F54 L134 Y137 V141 I196 K197 Y202 H203 C204 I209 I212 | F54-L200 HydrophobicContact CE1-CD1 3.95Å; F54-L200 HydrophobicContact CZ-CD1 4.24Å; F54-L200 HydrophobicContact CZ-CD2 4.46Å; L134-L200 HydrophobicContact CD2-CD1 3.92Å; Y137-L200 HydrophobicContact CD2-CD2 4.24Å; Y137-L200 HydrophobicContact CG-CD2 4.16Å; V141-L200 HydrophobicContact CG2-CD2 4.47Å; I196-L200 HydrophobicContact CG2-CD1 3.84Å; I196-L200 HydrophobicContact CG2-CG 4.26Å; I196-L200 WeakPolarHBondContact O-CG 3.35Å; I196-L200 PolarHBondContact O-N 3.36Å; I196-L200 VanDerWaalsContact O-N 3.08Å; K197-L200 PolarHBondContact O-N 2.92Å; K197-L200 VanDerWaalsContact O-N 3.15Å; L200-Y202 PolarHBondContact O-N 3.32Å; L200-Y202 VanDerWaalsContact O-N 3.1Å; L200-H203 PolarHBondContact O-N 3.03Å; L200-C204 HydrophobicContact CB-CB 4.12Å; L200-C204 PolarHBondContact O-N 3.46Å; L200-I209 HydrophobicContact CB-CD1 4.21Å; L200-I209 HydrophobicContact CB-CG1 4.06Å; L200-I212 HydrophobicContact CD1-CD1 3.96Å |
| 201 | E | 95.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 55 Ų | 55 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.3 | -167.6 | 68.2 | -172.1 | 172.9 | 0 | 0 | 115.3 | K197 I209 | K197-E201 WeakPolarHBondContact O-CB 3.44Å; K197-E201 PolarHBondContact O-N 3.42Å; E201-I209 HydrophobicContact CB-CD1 4.4Å |
| 202 | Y | 93.6 | Very high | 95.5 | Very high | 177 Ų | 177 | 51.5 Ų | 51.5 | 69% | 0.694 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -12.6 | 178.1 | -62.4 | -75.1 | 0 | 0 | 0 | 113.9 | L200 | L200-Y202 PolarHBondContact O-N 3.32Å; L200-Y202 VanDerWaalsContact O-N 3.1Å |
| 203 | H | 93.9 | Very high | 95.6 | Very high | 103 Ų | 103 | 53 Ų | 53 | 48% | 0.477 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -21 | -165.4 | -56.6 | -58.2 | 0 | 0 | 0 | 114.3 | Y137 L200 | Y137-H203 HydrophobicContact CD2-CB 4.23Å; Y137-H203 AromaticContact CE1-CD2 3.51Å; Y137-H203 HydrophobicContact CE2-CB 3.39Å; Y137-H203 AromaticContact CE2-CD2 3.93Å; Y137-H203 AromaticContact CE2-CG 3.73Å; Y137-H203 AromaticContact CZ-CD2 3.25Å; Y137-H203 AromaticContact CZ-CG 3.36Å; Y137-H203 AromaticContact CZ-NE2 3.88Å; Y137-H203 PolarHBondContact OH-CD2 3.01Å; Y137-H203 PolarHBondContact OH-CE1 3.24Å; Y137-H203 PolarHBondContact OH-ND1 2.89Å; Y137-H203 PolarHBondContact OH-NE2 2.89Å; L200-H203 PolarHBondContact O-N 3.03Å |
| 204 | C | 96.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 9% | 0.088 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -114.7 | 153.6 | 174.7 | -69.1 | 0 | 0 | 0 | 0 | 110 | C133 L200 I208 I209 | C133-C204 HydrophobicContact CB-CB 4.13Å; C133-C204 WeakPolarHBondContact CB-SG 3.36Å; C133-C204 WeakPolarHBondContact SG-CB 3.46Å; C133-C204 CovalentContact SG-SG 2.05Å; C133-C204 PolarHBondContact SG-SG 2.81Å; L200-C204 HydrophobicContact CB-CB 4.12Å; L200-C204 PolarHBondContact O-N 3.46Å; C204-I208 HydrophobicContact CB-CG2 3.65Å; C204-I209 HydrophobicContact CB-CD1 4.45Å; C204-I209 HydrophobicContact CB-CG1 4.32Å |
| 205 | S | 95.9 | Very high | 95.7 | Very high | 51 Ų | 51 | 50 Ų | 50 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | trans | -75.4 | 162.3 | 173.6 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | H129 D207 I208 I209 | H129-S205 PolarHBondContact CE1-OG 3.21Å; H129-S205 PolarHBondContact NE2-OG 2.92Å; S205-D207 VanDerWaalsContact C-N 3.28Å; S205-D207 VanDerWaalsContact CB-OD1 3.23Å; S205-D207 WeakPolarHBondContact CB-OD1 3.5Å; S205-D207 PolarHBondContact O-N 2.89Å; S205-D207 PolarHBondContact OG-OD1 3.37Å; S205-I208 WeakPolarHBondContact O-CG2 3.26Å; S205-I208 PolarHBondContact O-N 3.28Å; S205-I209 WeakPolarHBondContact O-CG1 3.4Å; S205-I209 PolarHBondContact O-N 3.48Å | ||
| 206 | S | 95.2 | Very high | 95.6 | Very high | 95 Ų | 95 | 49 Ų | 49 | 66% | 0.664 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.1 | -31.2 | -174.6 | 59.2 | 0 | 0 | 0 | 0 | 114 | I209 E210 | S206-I209 PolarHBondContact O-N 3.03Å; S206-E210 VanDerWaalsContact O-CB 3.31Å; S206-E210 WeakPolarHBondContact O-CB 3.33Å; S206-E210 PolarHBondContact O-N 3.49Å |
| 207 | D | 96.1 | Very high | 95.4 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | -179.1 | 62.2 | -30 | 0 | 0 | 0 | 112.6 | I125 H129 S205 L211 | I125-D207 HydrophobicContact CG2-CB 4.46Å; H129-D207 IonicContact CD2-OD2 2.74Å; H129-D207 IonicContact CE1-OD1 3.8Å; H129-D207 IonicContact NE2-OD1 3.14Å; H129-D207 PolarHBondContact NE2-OD1 3Å; H129-D207 VanDerWaalsContact NE2-OD1 3.13Å; H129-D207 IonicContact NE2-OD2 2.67Å; H129-D207 PolarHBondContact NE2-OD2 3.38Å; S205-D207 VanDerWaalsContact C-N 3.28Å; S205-D207 VanDerWaalsContact CB-OD1 3.23Å; S205-D207 WeakPolarHBondContact CB-OD1 3.5Å; S205-D207 PolarHBondContact O-N 2.89Å; S205-D207 PolarHBondContact OG-OD1 3.37Å; D207-L211 WeakPolarHBondContact O-CB 3.34Å; D207-L211 PolarHBondContact O-N 2.83Å |
| 208 | I | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.2 | -35.7 | 177.1 | -172.6 | 59.2 | 0 | 0 | 0 | 112 | I125 F126 H129 L134 C204 S205 E210 L211 I212 | I125-I208 HydrophobicContact CG2-CB 4.49Å; I125-I208 HydrophobicContact CG2-CD1 4.31Å; F126-I208 HydrophobicContact CD2-CD1 4.28Å; H129-I208 HydrophobicContact CB-CB 3.95Å; H129-I208 HydrophobicContact CB-CD1 4.15Å; H129-I208 HydrophobicContact CB-CG1 3.73Å; H129-I208 HydrophobicContact CB-CG2 4.13Å; H129-I208 VanDerWaalsContact CD2-CB 3.46Å; H129-I208 WeakPolarHBondContact CD2-CB 3.41Å; L134-I208 HydrophobicContact CD1-CD1 4Å; L134-I208 HydrophobicContact CD1-CG1 3.94Å; L134-I208 HydrophobicContact CD2-CG1 3.9Å; L134-I208 HydrophobicContact CG-CG1 4.19Å; C204-I208 HydrophobicContact CB-CG2 3.65Å; S205-I208 WeakPolarHBondContact O-CG2 3.26Å; S205-I208 PolarHBondContact O-N 3.28Å; I208-E210 VanDerWaalsContact C-N 3.34Å; I208-L211 HydrophobicContact CD1-CB 4.3Å; I208-L211 HydrophobicContact CD1-CD2 3.71Å; I208-L211 PolarHBondContact O-N 2.96Å; I208-I212 HydrophobicContact CD1-CD1 4.38Å; I208-I212 HydrophobicContact CD1-CG1 4.34Å; I208-I212 HydrophobicContact CG1-CD1 4.06Å; I208-I212 HydrophobicContact CG1-CG1 4.44Å; I208-I212 VanDerWaalsContact O-CG1 3.25Å; I208-I212 WeakPolarHBondContact O-CG1 3.37Å; I208-I212 PolarHBondContact O-N 3.1Å |
| 209 | I | 96.1 | Very high | 94.9 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.082 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 174.6 | -64.6 | 170.6 | 0 | 0 | 0 | 109.1 | K197 L200 E201 C204 S205 S206 L211 I212 Q213 | K197-I209 HydrophobicContact CB-CG2 4.43Å; K197-I209 HydrophobicContact CG-CG2 4.05Å; L200-I209 HydrophobicContact CB-CD1 4.21Å; L200-I209 HydrophobicContact CB-CG1 4.06Å; E201-I209 HydrophobicContact CB-CD1 4.4Å; C204-I209 HydrophobicContact CB-CD1 4.45Å; C204-I209 HydrophobicContact CB-CG1 4.32Å; S205-I209 WeakPolarHBondContact O-CG1 3.4Å; S205-I209 PolarHBondContact O-N 3.48Å; S206-I209 PolarHBondContact O-N 3.03Å; I209-L211 PolarHBondContact O-N 2.86Å; I209-I212 PolarHBondContact O-N 3.19Å; I209-Q213 HydrophobicContact CG2-CG 4.41Å; I209-Q213 VanDerWaalsContact O-CG 3.24Å; I209-Q213 WeakPolarHBondContact O-CG 3.02Å; I209-Q213 PolarHBondContact O-N 3.12Å |
| 210 | E | 96.2 | Very high | 94.6 | Very high | 73 Ų | 73 | 46.1 Ų | 46.1 | 34% | 0.341 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | 177 | -176.3 | 176 | -178.7 | 0 | 0 | 112 | S206 I208 I212 Q213 N214 | S206-E210 VanDerWaalsContact O-CB 3.31Å; S206-E210 WeakPolarHBondContact O-CB 3.33Å; S206-E210 PolarHBondContact O-N 3.49Å; I208-E210 VanDerWaalsContact C-N 3.34Å; E210-I212 VanDerWaalsContact C-N 3.33Å; E210-I212 PolarHBondContact O-N 3.22Å; E210-Q213 PolarHBondContact O-N 3.33Å; E210-N214 WeakPolarHBondContact O-CB 3.24Å; E210-N214 VanDerWaalsContact O-CG 3.3Å; E210-N214 PolarHBondContact O-N 3.45Å; E210-N214 PolarHBondContact O-ND2 3.34Å |
| 211 | L | 96.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.1 | -46.3 | 175.2 | -179.2 | 70.4 | 0 | 0 | 0 | 111.5 | Y116 L117 N122 I125 F126 D207 I208 I209 N214 Y215 | Y116-L211 HydrophobicContact CE1-CD1 3.56Å; Y116-L211 HydrophobicContact CE1-CG 4.45Å; Y116-L211 WeakPolarHBondContact CE1-O 3.01Å; L117-L211 HydrophobicContact CD1-CD1 4.45Å; L117-L211 HydrophobicContact CD1-CD2 3.92Å; L117-L211 HydrophobicContact CD1-CG 4.22Å; N122-L211 HydrophobicContact CB-CD1 3.55Å; N122-L211 WeakPolarHBondContact O-CD2 3.44Å; I125-L211 HydrophobicContact CB-CD2 4.24Å; I125-L211 HydrophobicContact CG2-CD2 4.12Å; F126-L211 HydrophobicContact CB-CD2 4Å; D207-L211 WeakPolarHBondContact O-CB 3.34Å; D207-L211 PolarHBondContact O-N 2.83Å; I208-L211 HydrophobicContact CD1-CB 4.3Å; I208-L211 HydrophobicContact CD1-CD2 3.71Å; I208-L211 PolarHBondContact O-N 2.96Å; I209-L211 PolarHBondContact O-N 2.86Å; L211-N214 PolarHBondContact O-N 2.92Å; L211-Y215 PolarHBondContact O-N 3.46Å |
| 212 | I | 95.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 179.5 | -67.6 | 173.8 | 0 | 0 | 0 | 110.9 | F54 F56 L134 I196 L200 I208 I209 E210 N214 Y215 F216 | F54-I212 HydrophobicContact CD1-CD1 4.23Å; F54-I212 HydrophobicContact CE1-CD1 3.85Å; F56-I212 HydrophobicContact CE1-CG1 4.45Å; F56-I212 HydrophobicContact CE1-CG2 4.5Å; F56-I212 HydrophobicContact CZ-CD1 4.2Å; F56-I212 HydrophobicContact CZ-CG1 3.93Å; F56-I212 HydrophobicContact CZ-CG2 4.35Å; L134-I212 HydrophobicContact CD2-CD1 3.71Å; I196-I212 HydrophobicContact CG2-CG2 4.18Å; L200-I212 HydrophobicContact CD1-CD1 3.96Å; I208-I212 HydrophobicContact CD1-CD1 4.38Å; I208-I212 HydrophobicContact CD1-CG1 4.34Å; I208-I212 HydrophobicContact CG1-CD1 4.06Å; I208-I212 HydrophobicContact CG1-CG1 4.44Å; I208-I212 VanDerWaalsContact O-CG1 3.25Å; I208-I212 WeakPolarHBondContact O-CG1 3.37Å; I208-I212 PolarHBondContact O-N 3.1Å; I209-I212 PolarHBondContact O-N 3.19Å; E210-I212 VanDerWaalsContact C-N 3.33Å; E210-I212 PolarHBondContact O-N 3.22Å; I212-N214 VanDerWaalsContact C-N 3.31Å; I212-N214 PolarHBondContact O-N 3.27Å; I212-Y215 PolarHBondContact O-N 3.39Å; I212-F216 HydrophobicContact CG2-CD2 3.76Å; I212-F216 HydrophobicContact CG2-CE2 3.57Å; I212-F216 VanDerWaalsContact O-CD2 3.23Å; I212-F216 WeakPolarHBondContact O-CD2 3.2Å; I212-F216 PolarHBondContact O-N 3.17Å; I212-F216 VanDerWaalsContact O-N 3.09Å |
| 213 | Q | 94.7 | Very high | 91.9 | Very high | 45 Ų | 45 | 48 Ų | 48 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 176.2 | -71.1 | -175.5 | -50.2 | 0 | 0 | 111.7 | V193 I209 E210 F216 R217 | V193-Q213 HydrophobicContact CG1-CB 4.15Å; V193-Q213 HydrophobicContact CG1-CG 3.6Å; I209-Q213 HydrophobicContact CG2-CG 4.41Å; I209-Q213 VanDerWaalsContact O-CG 3.24Å; I209-Q213 WeakPolarHBondContact O-CG 3.02Å; I209-Q213 PolarHBondContact O-N 3.12Å; E210-Q213 PolarHBondContact O-N 3.33Å; Q213-F216 PolarHBondContact O-N 3.01Å; Q213-R217 WeakPolarHBondContact O-CB 3.49Å; Q213-R217 PolarHBondContact O-N 3.43Å |
| 214 | N | 94.9 | Very high | 91.2 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.3 | -41.4 | 178.7 | -72.5 | -30.6 | 0 | 0 | 0 | 111.4 | Y116 E210 L211 I212 F216 R217 E218 | Y116-N214 HydrophobicContact CD1-CB 4.45Å; Y116-N214 HydrophobicContact CE1-CB 3.55Å; Y116-N214 HydrophobicContact CE2-CB 4.16Å; Y116-N214 WeakPolarHBondContact OH-CB 3.33Å; Y116-N214 PolarHBondContact OH-ND2 3.24Å; Y116-N214 VanDerWaalsContact OH-ND2 3.17Å; E210-N214 WeakPolarHBondContact O-CB 3.24Å; E210-N214 VanDerWaalsContact O-CG 3.3Å; E210-N214 PolarHBondContact O-N 3.45Å; E210-N214 PolarHBondContact O-ND2 3.34Å; L211-N214 PolarHBondContact O-N 2.92Å; I212-N214 VanDerWaalsContact C-N 3.31Å; I212-N214 PolarHBondContact O-N 3.27Å; N214-F216 VanDerWaalsContact C-N 3.34Å; N214-F216 PolarHBondContact O-N 3.49Å; N214-R217 WeakPolarHBondContact O-CB 3.28Å; N214-R217 PolarHBondContact O-N 2.84Å; N214-R217 VanDerWaalsContact O-N 3.09Å; N214-R217 VanDerWaalsContact OD1-CZ 3.22Å; N214-R217 PolarHBondContact OD1-NH1 2.99Å; N214-R217 PolarHBondContact OD1-NH2 3.43Å; N214-E218 WeakPolarHBondContact O-CG 3.23Å; N214-E218 PolarHBondContact O-N 3.29Å |
| 215 | Y | 95.7 | Very high | 89.5 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.6 | -51.1 | 173 | 170.3 | -95.1 | 0 | 0 | 0 | 111.8 | F56 G57 A113 L117 L211 I212 R217 E218 T219 | F56-Y215 AromaticContact CD1-CD1 3.65Å; F56-Y215 HydrophobicContact CD1-CD1 3.65Å; F56-Y215 AromaticContact CD1-CE1 3.47Å; F56-Y215 HydrophobicContact CD1-CE1 3.47Å; F56-Y215 VanDerWaalsContact CD1-CE1 3.47Å; F56-Y215 HydrophobicContact CD1-CE2 4.39Å; F56-Y215 HydrophobicContact CD1-CG 4.2Å; F56-Y215 AromaticContact CD1-CZ 3.87Å; F56-Y215 AromaticContact CE1-CD1 3.72Å; F56-Y215 HydrophobicContact CE1-CD1 3.72Å; F56-Y215 HydrophobicContact CE1-CE1 4.03Å; F56-Y215 HydrophobicContact CE1-CG 4.21Å; G57-Y215 PolarHBondContact N-OH 3.38Å; A113-Y215 HydrophobicContact CB-CD2 3.75Å; A113-Y215 HydrophobicContact CB-CE2 3.53Å; A113-Y215 HydrophobicContact CB-CG 4.44Å; A113-Y215 WeakPolarHBondContact CB-O 3.49Å; A113-Y215 VanDerWaalsContact O-CD2 3.27Å; A113-Y215 WeakPolarHBondContact O-CD2 3.39Å; A113-Y215 WeakPolarHBondContact O-CE2 3.44Å; L117-Y215 HydrophobicContact CB-CD2 3.69Å; L117-Y215 HydrophobicContact CB-CE2 4.21Å; L117-Y215 HydrophobicContact CD2-CD2 3.89Å; L117-Y215 HydrophobicContact CD2-CE2 4.01Å; L117-Y215 HydrophobicContact CD2-CG 4.49Å; L117-Y215 HydrophobicContact CG-CD2 4.4Å; L211-Y215 PolarHBondContact O-N 3.46Å; I212-Y215 PolarHBondContact O-N 3.39Å; Y215-R217 VanDerWaalsContact C-N 3.32Å; Y215-R217 PolarHBondContact O-N 3.19Å; Y215-E218 WeakPolarHBondContact O-CB 3.24Å; Y215-E218 PolarHBondContact O-N 3.17Å; Y215-T219 HydrophobicContact CE1-CG2 4.36Å; Y215-T219 PolarHBondContact O-N 3.17Å |
| 216 | F | 93.5 | Very high | 87.4 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 4% | 0.044 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.8 | -29.3 | 178.8 | -74.3 | -62 | 0 | 0 | 0 | 112.9 | F54 F56 T189 K192 V193 I196 I212 Q213 N214 E218 T219 | F54-F216 WeakPolarHBondContact O-CZ 2.98Å; F56-F216 HydrophobicContact CE1-CE2 4.31Å; F56-F216 HydrophobicContact CE1-CZ 4.31Å; T189-F216 HydrophobicContact CG2-CB 3.95Å; K192-F216 HydrophobicContact CD-CE1 4.48Å; V193-F216 HydrophobicContact CG2-CB 3.35Å; V193-F216 HydrophobicContact CG2-CD2 3.76Å; V193-F216 HydrophobicContact CG2-CG 3.77Å; I196-F216 HydrophobicContact CD1-CD2 4.41Å; I196-F216 HydrophobicContact CD1-CE2 3.66Å; I196-F216 HydrophobicContact CD1-CZ 4.18Å; I212-F216 HydrophobicContact CG2-CD2 3.76Å; I212-F216 HydrophobicContact CG2-CE2 3.57Å; I212-F216 VanDerWaalsContact O-CD2 3.23Å; I212-F216 WeakPolarHBondContact O-CD2 3.2Å; I212-F216 PolarHBondContact O-N 3.17Å; I212-F216 VanDerWaalsContact O-N 3.09Å; Q213-F216 PolarHBondContact O-N 3.01Å; N214-F216 VanDerWaalsContact C-N 3.34Å; N214-F216 PolarHBondContact O-N 3.49Å; F216-E218 VanDerWaalsContact C-N 3.29Å; F216-E218 PolarHBondContact O-N 2.86Å; F216-T219 PolarHBondContact O-N 3.29Å; F216-T219 VanDerWaalsContact O-N 3.12Å; F216-T219 PolarHBondContact O-OG1 3.05Å |
| 217 | R | 90.6 | Very high | 84.6 | Confident | 105 Ų | 105 | 56.8 Ų | 56.8 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 171.6 | -171.4 | -176.1 | 66.7 | -150.9 | -6.1 | 111.4 | Q213 N214 Y215 T219 L220 | Q213-R217 WeakPolarHBondContact O-CB 3.49Å; Q213-R217 PolarHBondContact O-N 3.43Å; N214-R217 WeakPolarHBondContact O-CB 3.28Å; N214-R217 PolarHBondContact O-N 2.84Å; N214-R217 VanDerWaalsContact O-N 3.09Å; N214-R217 VanDerWaalsContact OD1-CZ 3.22Å; N214-R217 PolarHBondContact OD1-NH1 2.99Å; N214-R217 PolarHBondContact OD1-NH2 3.43Å; Y215-R217 VanDerWaalsContact C-N 3.32Å; Y215-R217 PolarHBondContact O-N 3.19Å; R217-T219 PolarHBondContact O-N 3.39Å; R217-L220 HydrophobicContact CG-CD1 4.13Å; R217-L220 VanDerWaalsContact O-CB 3.29Å; R217-L220 WeakPolarHBondContact O-CB 3.33Å; R217-L220 WeakPolarHBondContact O-CG 3.45Å; R217-L220 PolarHBondContact O-N 3.26Å; R217-L220 VanDerWaalsContact O-N 3.1Å |
| 218 | E | 92.8 | Very high | 81.7 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.5 | -20 | 176.5 | -61.2 | -49.4 | 134.1 | 0 | 0 | 113.1 | K112 A113 Y116 N214 Y215 F216 L220 | K112-E218 HydrophobicContact CB-CB 4.28Å; A113-E218 HydrophobicContact CB-CB 3.85Å; Y116-E218 HydrophobicContact CG-CG 4.19Å; N214-E218 WeakPolarHBondContact O-CG 3.23Å; N214-E218 PolarHBondContact O-N 3.29Å; Y215-E218 WeakPolarHBondContact O-CB 3.24Å; Y215-E218 PolarHBondContact O-N 3.17Å; F216-E218 VanDerWaalsContact C-N 3.29Å; F216-E218 PolarHBondContact O-N 2.86Å; E218-L220 VanDerWaalsContact C-N 3.29Å |
| 219 | T | 91 | Very high | 78.7 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.3 | 173.5 | 69.9 | 0 | 0 | 0 | 0 | 113.9 | P109 A113 Y215 F216 R217 | P109-T219 WeakPolarHBondContact CB-O 3.48Å; A113-T219 HydrophobicContact CB-CG2 3.39Å; Y215-T219 HydrophobicContact CE1-CG2 4.36Å; Y215-T219 PolarHBondContact O-N 3.17Å; F216-T219 PolarHBondContact O-N 3.29Å; F216-T219 VanDerWaalsContact O-N 3.12Å; F216-T219 PolarHBondContact O-OG1 3.05Å; R217-T219 PolarHBondContact O-N 3.39Å |
| 220 | L | 88.8 | Confident | 75.8 | Confident | 26 Ų | 26 | 71.4 Ų | 71.4 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -71.9 | 142.1 | -178.6 | -65.3 | 175.2 | 0 | 0 | 0 | 111.3 | T189 R217 E218 C224 | T189-L220 HydrophobicContact CG2-CD2 3.56Å; T189-L220 HydrophobicContact CG2-CG 4.31Å; R217-L220 HydrophobicContact CG-CD1 4.13Å; R217-L220 VanDerWaalsContact O-CB 3.29Å; R217-L220 WeakPolarHBondContact O-CB 3.33Å; R217-L220 WeakPolarHBondContact O-CG 3.45Å; R217-L220 PolarHBondContact O-N 3.26Å; R217-L220 VanDerWaalsContact O-N 3.1Å; E218-L220 VanDerWaalsContact C-N 3.29Å; L220-C224 HydrophobicContact CB-CB 3.93Å; L220-C224 HydrophobicContact CD1-CB 4.44Å |
| 221 | P | 81.6 | Confident | 73.3 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 159 | 172.5 | 27.4 | -33.2 | 0 | 0 | 0 | 111.1 | R182 C224 | R182-P221 HydrophobicContact CB-CG 4.39Å; R182-P221 HydrophobicContact CG-CB 4.25Å; R182-P221 HydrophobicContact CG-CG 4.41Å; P221-C224 HydrophobicContact CG-CB 4.38Å; P221-C224 WeakPolarHBondContact O-CB 3.45Å; P221-C224 PolarHBondContact O-N 3.45Å |
| 222 | Y | 75.8 | Confident | 70.7 | Confident | 218 Ų | 218 | 75 Ų | 75 | 86% | 0.855 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 143.4 | 174.5 | -171.4 | -93.3 | 0 | 0 | 0 | 111.6 | C224 | Y222-C224 VanDerWaalsContact C-N 3.27Š|
| 223 | G | 72.5 | Confident | 68.3 | Low | 58 Ų | 58 | 83 Ų | 83 | 60% | 0.598 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 4.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E225 | G223-E225 PolarHBondContact O-N 3.03Š|
| 224 | C | 78.5 | Confident | 65.8 | Low | 24 Ų | 24 | 84.6 Ų | 84.6 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | trans | -79 | 61.3 | 172.4 | -153.6 | 0 | 0 | 0 | 0 | 110.5 | C186 L220 P221 Y222 | C186-C224 WeakPolarHBondContact CA-SG 2.88Å; C186-C224 HydrophobicContact CB-CB 4.38Å; C186-C224 WeakPolarHBondContact CB-SG 3.31Å; C186-C224 WeakPolarHBondContact SG-CB 3.39Å; C186-C224 CovalentContact SG-SG 2Å; C186-C224 PolarHBondContact SG-SG 3.42Å; L220-C224 HydrophobicContact CB-CB 3.93Å; L220-C224 HydrophobicContact CD1-CB 4.44Å; P221-C224 HydrophobicContact CG-CB 4.38Å; P221-C224 WeakPolarHBondContact O-CB 3.45Å; P221-C224 PolarHBondContact O-N 3.45Å; Y222-C224 VanDerWaalsContact C-N 3.27Å | ||
| 225 | E | 60.6 | Low | 63.2 | Low | 172 Ų | 172 | 88.4 Ų | 88.4 | 80% | 0.804 | 44% | 0.44 | S | S | * | . | trans | -78.8 | 123.7 | 179.4 | -67.6 | -173 | 179.1 | 0 | 0 | 109.6 | G223 T227 | G223-E225 PolarHBondContact O-N 3.03Å; E225-T227 PolarHBondContact O-N 2.89Å | ||
| 226 | R | 52.5 | Low | 60.9 | Low | 105 Ų | 105 | 90.6 Ų | 90.6 | 40% | 0.396 | 46% | 0.455 | S | S | . | . | trans | -62 | 118 | 174.5 | -78.2 | -177.3 | 176.4 | 178.9 | 0.3 | 108.5 | N228 | R226-N228 HydrophobicContact CB-CB 4.4Å; R226-N228 PolarHBondContact O-N 3.37Å | ||
| 227 | T | 36.7 | Very low | 58.4 | Low | 145 Ų | 145 | 96 Ų | 96 | 89% | 0.89 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -67.7 | -0 | 154.7 | 36.2 | 0 | 0 | 0 | 0 | 112.8 | E225 H229 | E225-T227 PolarHBondContact O-N 2.89Å; T227-H229 PolarHBondContact O-N 3.38Å |
| 228 | N | 34.3 | Very low | 56.1 | Low | 94 Ų | 94 | 95.2 Ų | 95.2 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -92 | 102.1 | 174.1 | -74 | -24.3 | 0 | 0 | 0 | 110.9 | R226 I230 | R226-N228 HydrophobicContact CB-CB 4.4Å; R226-N228 PolarHBondContact O-N 3.37Å; N228-I230 HydrophobicContact CB-CD1 4.41Å; N228-I230 HydrophobicContact CB-CG1 4.36Å; N228-I230 PolarHBondContact O-N 2.93Å |
| 229 | H | 34.1 | Very low | 53.9 | Low | 177 Ų | 177 | 96.3 Ų | 96.3 | 82% | 0.819 | 49% | 0.488 | S | S | * | . | trans | -54.6 | 43.2 | 171.9 | -139.5 | -71.2 | 0 | 0 | 0 | 114.5 | T227 S231 | T227-H229 PolarHBondContact O-N 3.38Å; H229-S231 PolarHBondContact O-N 3.4Å | ||
| 230 | I | 34.6 | Very low | 52 | Low | 113 Ų | 113 | 100.3 Ų | 100.3 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | trans | -85.5 | 88.3 | 178.4 | -59.3 | 178.2 | 0 | 0 | 0 | 107.9 | N228 | N228-I230 HydrophobicContact CB-CD1 4.41Å; N228-I230 HydrophobicContact CB-CG1 4.36Å; N228-I230 PolarHBondContact O-N 2.93Å | ||
| 231 | S | 43.2 | Very low | 50.1 | Low | 34 Ų | 34 | 106 Ų | 106 | 24% | 0.238 | 53% | 0.533 | C | S | . | . | trans | 81 | 63.3 | 140.6 | 74.7 | 0 | 0 | 0 | 0 | 118.8 | H229 Y233 L234 L235 | H229-S231 PolarHBondContact O-N 3.4Å; S231-Y233 PolarHBondContact O-N 3.35Å; S231-L234 PolarHBondContact O-N 3.29Å; S231-L234 WeakPolarHBondContact OG-CB 3.39Å; S231-L234 WeakPolarHBondContact OG-CD1 3.48Å; S231-L235 PolarHBondContact O-N 2.04Å | ||
| 232 | D | 43.9 | Very low | 48.6 | Very low | 117 Ų | 117 | 107.1 Ų | 107.1 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -48 | -25.6 | 144.6 | -69.6 | -32.8 | 0 | 0 | 0 | 111.4 | S236 | D232-S236 WeakPolarHBondContact O-CB 3.36Å; D232-S236 PolarHBondContact O-N 3.02Å; D232-S236 PolarHBondContact O-OG 2.88Å; D232-S236 VanDerWaalsContact O-OG 3.07Å |
| 233 | Y | 44.9 | Very low | 47.3 | Very low | 173 Ų | 173 | 100.6 Ų | 100.6 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.6 | -36.5 | 169 | -172.6 | -98.3 | 0 | 0 | 0 | 115.1 | S231 S236 K237 | S231-Y233 PolarHBondContact O-N 3.35Å; Y233-S236 PolarHBondContact O-OG 3.19Å; Y233-K237 WeakPolarHBondContact O-CB 2.95Å; Y233-K237 PolarHBondContact O-N 2.98Å |
| 234 | L | 41.6 | Very low | 46.1 | Very low | 80 Ų | 80 | 103.7 Ų | 103.7 | 42% | 0.419 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -81.6 | -36.9 | 173.7 | -76.5 | 170.4 | 0 | 0 | 0 | 110.6 | S231 S236 K237 I238 | S231-L234 PolarHBondContact O-N 3.29Å; S231-L234 WeakPolarHBondContact OG-CB 3.39Å; S231-L234 WeakPolarHBondContact OG-CD1 3.48Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 3.21Å; L234-K237 CarbonylContact O-C 3.59Å; L234-K237 PolarHBondContact O-N 2.8Å; L234-K237 VanDerWaalsContact O-N 3.14Å; L234-I238 VanDerWaalsContact O-CG1 3.32Å; L234-I238 WeakPolarHBondContact O-CG1 3.29Å; L234-I238 PolarHBondContact O-N 3.23Å |
| 235 | L | 39.7 | Very low | 44.5 | Very low | 102 Ų | 102 | 105.9 Ų | 105.9 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.3 | -147.1 | 76.7 | 0 | 0 | 0 | 110.3 | S231 K237 I238 I239 | S231-L235 PolarHBondContact O-N 2.04Å; L235-K237 VanDerWaalsContact C-N 3.33Å; L235-K237 PolarHBondContact O-N 2.72Å; L235-I238 PolarHBondContact O-N 3.16Å; L235-I239 HydrophobicContact CD2-CD1 4.49Å; L235-I239 HydrophobicContact CG-CD1 4.23Å; L235-I239 WeakPolarHBondContact O-CB 3.04Å; L235-I239 WeakPolarHBondContact O-CD1 3.44Å; L235-I239 WeakPolarHBondContact O-CG1 3.03Å; L235-I239 PolarHBondContact O-N 3.34Å |
| 236 | S | 47 | Very low | 43.8 | Very low | 48 Ų | 48 | 102 Ų | 102 | 34% | 0.336 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 174.1 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | D232 Y233 L234 N240 | D232-S236 WeakPolarHBondContact O-CB 3.36Å; D232-S236 PolarHBondContact O-N 3.02Å; D232-S236 PolarHBondContact O-OG 2.88Å; D232-S236 VanDerWaalsContact O-OG 3.07Å; Y233-S236 PolarHBondContact O-OG 3.19Å; L234-S236 VanDerWaalsContact C-N 3.31Å; L234-S236 PolarHBondContact O-N 3.21Å; S236-N240 WeakPolarHBondContact O-CB 3.08Å; S236-N240 PolarHBondContact O-N 3.3Å; S236-N240 PolarHBondContact O-ND2 3.02Å |
| 237 | K | 42.3 | Very low | 43.1 | Very low | 125 Ų | 125 | 102.8 Ų | 102.8 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.7 | -38.1 | 175.1 | -160.3 | 174.4 | -173.7 | 175.7 | 0 | 112.3 | Y233 L234 L235 K241 | Y233-K237 WeakPolarHBondContact O-CB 2.95Å; Y233-K237 PolarHBondContact O-N 2.98Å; L234-K237 CarbonylContact O-C 3.59Å; L234-K237 PolarHBondContact O-N 2.8Å; L234-K237 VanDerWaalsContact O-N 3.14Å; L235-K237 VanDerWaalsContact C-N 3.33Å; L235-K237 PolarHBondContact O-N 2.72Å; K237-K241 VanDerWaalsContact O-CB 3.24Å; K237-K241 WeakPolarHBondContact O-CB 3.31Å; K237-K241 PolarHBondContact O-N 2.92Å |
| 238 | I | 42.2 | Very low | 43.3 | Very low | 87 Ų | 87 | 100.9 Ų | 100.9 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69 | -44.5 | 174.8 | -68.2 | 168.1 | 0 | 0 | 0 | 110.1 | L234 L235 K241 S242 | L234-I238 VanDerWaalsContact O-CG1 3.32Å; L234-I238 WeakPolarHBondContact O-CG1 3.29Å; L234-I238 PolarHBondContact O-N 3.23Å; L235-I238 PolarHBondContact O-N 3.16Å; I238-K241 CarbonylContact O-C 3.55Å; I238-K241 PolarHBondContact O-N 3.5Å; I238-S242 WeakPolarHBondContact O-CB 3.48Å; I238-S242 PolarHBondContact O-N 3.43Å; I238-S242 PolarHBondContact O-OG 3.27Å |
| 239 | I | 45.4 | Very low | 43.2 | Very low | 80 Ų | 80 | 102 Ų | 102 | 41% | 0.41 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.7 | -68.8 | 163.9 | 0 | 0 | 0 | 110.5 | L235 K241 S242 N243 | L235-I239 HydrophobicContact CD2-CD1 4.49Å; L235-I239 HydrophobicContact CG-CD1 4.23Å; L235-I239 WeakPolarHBondContact O-CB 3.04Å; L235-I239 WeakPolarHBondContact O-CD1 3.44Å; L235-I239 WeakPolarHBondContact O-CG1 3.03Å; L235-I239 PolarHBondContact O-N 3.34Å; I239-K241 VanDerWaalsContact C-N 3.3Å; I239-K241 PolarHBondContact O-N 2.89Å; I239-S242 WeakPolarHBondContact CA-OG 3.34Å; I239-S242 PolarHBondContact O-N 3.33Å; I239-S242 PolarHBondContact O-OG 3.42Å; I239-N243 VanDerWaalsContact O-CB 3.3Å; I239-N243 WeakPolarHBondContact O-CB 3.48Å; I239-N243 PolarHBondContact O-N 3.27Å; I239-N243 PolarHBondContact O-ND2 3.33Å; I239-N243 PolarHBondContact O-OD1 2.61Å |
| 240 | N | 50.9 | Low | 43.5 | Very low | 106 Ų | 106 | 97.9 Ų | 97.9 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -36.7 | 175.7 | -75.7 | -18.2 | 0 | 0 | 0 | 111.8 | S236 Q244 | S236-N240 WeakPolarHBondContact O-CB 3.08Å; S236-N240 PolarHBondContact O-N 3.3Å; S236-N240 PolarHBondContact O-ND2 3.02Å; N240-Q244 WeakPolarHBondContact O-CB 3.29Å; N240-Q244 PolarHBondContact O-N 3.48Å |
| 241 | K | 49.2 | Very low | 43.6 | Very low | 145 Ų | 145 | 97.7 Ų | 97.7 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75.7 | -34.2 | 178 | -152.2 | 174.6 | -172.3 | -175.9 | 0 | 112.3 | K237 I238 I239 Q244 T245 | K237-K241 VanDerWaalsContact O-CB 3.24Å; K237-K241 WeakPolarHBondContact O-CB 3.31Å; K237-K241 PolarHBondContact O-N 2.92Å; I238-K241 CarbonylContact O-C 3.55Å; I238-K241 PolarHBondContact O-N 3.5Å; I239-K241 VanDerWaalsContact C-N 3.3Å; I239-K241 PolarHBondContact O-N 2.89Å; K241-Q244 PolarHBondContact O-N 3.11Å; K241-T245 PolarHBondContact O-N 3.03Å; K241-T245 PolarHBondContact O-OG1 3.14Å |
| 242 | S | 50.5 | Low | 43 | Very low | 46 Ų | 46 | 103 Ų | 103 | 32% | 0.322 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.2 | -43.9 | 172.5 | 70.2 | 0 | 0 | 0 | 0 | 110.5 | I238 I239 Q244 T245 D246 | I238-S242 WeakPolarHBondContact O-CB 3.48Å; I238-S242 PolarHBondContact O-N 3.43Å; I238-S242 PolarHBondContact O-OG 3.27Å; I239-S242 WeakPolarHBondContact CA-OG 3.34Å; I239-S242 PolarHBondContact O-N 3.33Å; I239-S242 PolarHBondContact O-OG 3.42Å; S242-Q244 PolarHBondContact O-N 2.78Å; S242-T245 CarbonylContact O-C 3.48Å; S242-T245 WeakPolarHBondContact O-CA 3.19Å; S242-T245 WeakPolarHBondContact O-CB 3.15Å; S242-T245 PolarHBondContact O-N 3.43Å; S242-D246 PolarHBondContact O-N 3.45Å |
| 243 | N | 49.4 | Very low | 42.5 | Very low | 81 Ų | 81 | 105.7 Ų | 105.7 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -37.1 | 174.3 | -68.9 | -13.6 | 0 | 0 | 0 | 111.6 | I239 L247 | I239-N243 VanDerWaalsContact O-CB 3.3Å; I239-N243 WeakPolarHBondContact O-CB 3.48Å; I239-N243 PolarHBondContact O-N 3.27Å; I239-N243 PolarHBondContact O-ND2 3.33Å; I239-N243 PolarHBondContact O-OD1 2.61Å; N243-L247 WeakPolarHBondContact O-CG 3.18Å; N243-L247 PolarHBondContact O-N 3.36Å; N243-L247 VanDerWaalsContact O-N 3.07Å |
| 244 | Q | 47.5 | Very low | 42.2 | Very low | 124 Ų | 124 | 102.2 Ų | 102.2 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.6 | -34.6 | 173.6 | -152.9 | 172.8 | 20.8 | 0 | 0 | 112.1 | N240 K241 S242 I248 | N240-Q244 WeakPolarHBondContact O-CB 3.29Å; N240-Q244 PolarHBondContact O-N 3.48Å; K241-Q244 PolarHBondContact O-N 3.11Å; S242-Q244 PolarHBondContact O-N 2.78Å; Q244-I248 WeakPolarHBondContact O-CD1 3.38Å; Q244-I248 VanDerWaalsContact O-CG1 3.26Å; Q244-I248 WeakPolarHBondContact O-CG1 3.29Å; Q244-I248 PolarHBondContact O-N 3.08Å; Q244-I248 VanDerWaalsContact O-N 3.08Å |
| 245 | T | 44.8 | Very low | 41.9 | Very low | 70 Ų | 70 | 103.3 Ų | 103.3 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72 | -36.5 | 175.7 | -47.7 | 0 | 0 | 0 | 0 | 111.4 | K241 S242 L247 I248 M249 | K241-T245 PolarHBondContact O-N 3.03Å; K241-T245 PolarHBondContact O-OG1 3.14Å; S242-T245 CarbonylContact O-C 3.48Å; S242-T245 WeakPolarHBondContact O-CA 3.19Å; S242-T245 WeakPolarHBondContact O-CB 3.15Å; S242-T245 PolarHBondContact O-N 3.43Å; T245-L247 VanDerWaalsContact C-N 3.34Å; T245-I248 CarbonylContact O-C 3.6Å; T245-I248 PolarHBondContact O-N 3.04Å; T245-M249 HydrophobicContact CG2-CG 4.29Å; T245-M249 WeakPolarHBondContact O-CB 3.38Å; T245-M249 WeakPolarHBondContact O-CG 3.31Å; T245-M249 PolarHBondContact O-N 3.08Å |
| 246 | D | 44 | Very low | 41.6 | Very low | 91 Ų | 91 | 102.8 Ų | 102.8 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.8 | -33.9 | 176 | -69.9 | -30.3 | 0 | 0 | 0 | 111.6 | S242 M249 N250 | S242-D246 PolarHBondContact O-N 3.45Å; D246-M249 PolarHBondContact O-N 2.8Å; D246-N250 WeakPolarHBondContact O-CB 3.23Å; D246-N250 PolarHBondContact O-N 2.71Å |
| 247 | L | 39.3 | Very low | 41.3 | Very low | 120 Ų | 120 | 106 Ų | 106 | 63% | 0.628 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -45.5 | 169.1 | -76.6 | 164.3 | 0 | 0 | 0 | 111.5 | N243 T245 M249 N250 D251 | N243-L247 WeakPolarHBondContact O-CG 3.18Å; N243-L247 PolarHBondContact O-N 3.36Å; N243-L247 VanDerWaalsContact O-N 3.07Å; T245-L247 VanDerWaalsContact C-N 3.34Å; L247-M249 VanDerWaalsContact C-N 3.35Å; L247-M249 PolarHBondContact O-N 3.11Å; L247-N250 PolarHBondContact O-N 3.21Å; L247-D251 PolarHBondContact O-N 2.98Å |
| 248 | I | 39.3 | Very low | 41.3 | Very low | 105 Ų | 105 | 103.7 Ų | 103.7 | 54% | 0.538 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.5 | -67 | 164.5 | 0 | 0 | 0 | 111.1 | Q244 T245 D251 Y252 | Q244-I248 WeakPolarHBondContact O-CD1 3.38Å; Q244-I248 VanDerWaalsContact O-CG1 3.26Å; Q244-I248 WeakPolarHBondContact O-CG1 3.29Å; Q244-I248 PolarHBondContact O-N 3.08Å; Q244-I248 VanDerWaalsContact O-N 3.08Å; T245-I248 CarbonylContact O-C 3.6Å; T245-I248 PolarHBondContact O-N 3.04Å; I248-D251 PolarHBondContact O-N 2.03Å; I248-Y252 WeakPolarHBondContact O-CB 3.21Å; I248-Y252 PolarHBondContact O-N 3.31Å |
| 249 | M | 33.6 | Very low | 41.2 | Very low | 117 Ų | 117 | 102.4 Ų | 102.4 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71 | -33.1 | 179.2 | -72.9 | -67.3 | -74.8 | 0 | 0 | 111.8 | T245 D246 L247 Y252 R253 | T245-M249 HydrophobicContact CG2-CG 4.29Å; T245-M249 WeakPolarHBondContact O-CB 3.38Å; T245-M249 WeakPolarHBondContact O-CG 3.31Å; T245-M249 PolarHBondContact O-N 3.08Å; D246-M249 PolarHBondContact O-N 2.8Å; L247-M249 VanDerWaalsContact C-N 3.35Å; L247-M249 PolarHBondContact O-N 3.11Å; M249-Y252 PolarHBondContact O-N 2.78Å; M249-R253 VanDerWaalsContact O-CB 3.24Å; M249-R253 WeakPolarHBondContact O-CB 3.31Å; M249-R253 PolarHBondContact O-N 3.48Å |
| 250 | N | 40.7 | Very low | 40.7 | Very low | 91 Ų | 91 | 101.8 Ų | 101.8 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 171.9 | -83.7 | -23.6 | 0 | 0 | 0 | 112 | D246 L247 Y252 R253 N254 | D246-N250 WeakPolarHBondContact O-CB 3.23Å; D246-N250 PolarHBondContact O-N 2.71Å; L247-N250 PolarHBondContact O-N 3.21Å; N250-Y252 VanDerWaalsContact C-N 3.33Å; N250-Y252 PolarHBondContact O-N 3.34Å; N250-R253 PolarHBondContact O-N 3.02Å; N250-N254 WeakPolarHBondContact O-CB 3.12Å; N250-N254 VanDerWaalsContact O-CG 3.23Å; N250-N254 PolarHBondContact O-N 2.85Å; N250-N254 PolarHBondContact O-ND2 2.89Å |
| 251 | D | 36.5 | Very low | 40.1 | Very low | 109 Ų | 109 | 101.5 Ų | 101.5 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -42.8 | 171.9 | -94.4 | -0.7 | 0 | 0 | 0 | 111.4 | L247 I248 R253 N254 I255 | L247-D251 PolarHBondContact O-N 2.98Å; I248-D251 PolarHBondContact O-N 2.03Å; D251-R253 VanDerWaalsContact C-N 3.34Å; D251-R253 PolarHBondContact O-N 3.08Å; D251-N254 PolarHBondContact O-N 3.49Å; D251-I255 VanDerWaalsContact O-CG1 3.29Å; D251-I255 WeakPolarHBondContact O-CG1 3.42Å; D251-I255 PolarHBondContact O-N 2.61Å |
| 252 | Y | 29.4 | Very low | 39.7 | Very low | 146 Ų | 146 | 98.8 Ų | 98.8 | 57% | 0.573 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | 176.7 | -147 | -92.6 | 0 | 0 | 0 | 112 | I248 M249 N250 N254 I255 H256 | I248-Y252 WeakPolarHBondContact O-CB 3.21Å; I248-Y252 PolarHBondContact O-N 3.31Å; M249-Y252 PolarHBondContact O-N 2.78Å; N250-Y252 VanDerWaalsContact C-N 3.33Å; N250-Y252 PolarHBondContact O-N 3.34Å; Y252-N254 VanDerWaalsContact C-N 3.35Å; Y252-I255 PolarHBondContact O-N 3.16Å; Y252-H256 AromaticContact CE1-CD2 3.84Å; Y252-H256 WeakPolarHBondContact O-CB 3.24Å; Y252-H256 PolarHBondContact O-N 2.88Å |
| 253 | R | 34.7 | Very low | 38.9 | Very low | 173 Ų | 173 | 101.8 Ų | 101.8 | 65% | 0.653 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.4 | -36.1 | 176.9 | -160.4 | 174.1 | -171 | 176.3 | 1.5 | 111.5 | M249 N250 D251 H256 L257 | M249-R253 VanDerWaalsContact O-CB 3.24Å; M249-R253 WeakPolarHBondContact O-CB 3.31Å; M249-R253 PolarHBondContact O-N 3.48Å; N250-R253 PolarHBondContact O-N 3.02Å; D251-R253 VanDerWaalsContact C-N 3.34Å; D251-R253 PolarHBondContact O-N 3.08Å; R253-H256 PolarHBondContact O-N 3.23Å; R253-L257 HydrophobicContact CG-CD1 4.36Å; R253-L257 WeakPolarHBondContact O-CB 3.23Å; R253-L257 WeakPolarHBondContact O-CD1 3.47Å; R253-L257 VanDerWaalsContact O-CG 3.27Å; R253-L257 WeakPolarHBondContact O-CG 3.35Å; R253-L257 PolarHBondContact O-N 3.44Å |
| 254 | N | 38.7 | Very low | 38.3 | Very low | 100 Ų | 100 | 104.2 Ų | 104.2 | 54% | 0.535 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 174.2 | -69.8 | -26.1 | 0 | 0 | 0 | 111.9 | N250 D251 Y252 A258 | N250-N254 WeakPolarHBondContact O-CB 3.12Å; N250-N254 VanDerWaalsContact O-CG 3.23Å; N250-N254 PolarHBondContact O-N 2.85Å; N250-N254 PolarHBondContact O-ND2 2.89Å; D251-N254 PolarHBondContact O-N 3.49Å; Y252-N254 VanDerWaalsContact C-N 3.35Å; N254-A258 PolarHBondContact O-N 2.87Å |
| 255 | I | 35.1 | Very low | 37.8 | Very low | 104 Ų | 104 | 108 Ų | 108 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -41.1 | 174 | -66.3 | 165.4 | 0 | 0 | 0 | 111 | D251 Y252 A258 T259 | D251-I255 VanDerWaalsContact O-CG1 3.29Å; D251-I255 WeakPolarHBondContact O-CG1 3.42Å; D251-I255 PolarHBondContact O-N 2.61Å; Y252-I255 PolarHBondContact O-N 3.16Å; I255-A258 PolarHBondContact O-N 3.13Å; I255-T259 PolarHBondContact O-N 3.18Å; I255-T259 VanDerWaalsContact O-N 3.11Å; I255-T259 PolarHBondContact O-OG1 3.07Å |
| 256 | H | 33.1 | Very low | 37.4 | Very low | 90 Ų | 90 | 110.9 Ų | 110.9 | 42% | 0.417 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.7 | -29.5 | -178.7 | -130.1 | -61.7 | 0 | 0 | 0 | 113.7 | Y252 R253 T259 N260 | Y252-H256 AromaticContact CE1-CD2 3.84Å; Y252-H256 WeakPolarHBondContact O-CB 3.24Å; Y252-H256 PolarHBondContact O-N 2.88Å; R253-H256 PolarHBondContact O-N 3.23Å; H256-T259 PolarHBondContact O-N 3.13Å; H256-N260 PolarHBondContact ND1-OD1 3.19Å; H256-N260 WeakPolarHBondContact O-CB 3.04Å; H256-N260 VanDerWaalsContact O-CG 3.24Å; H256-N260 PolarHBondContact O-N 3.34Å |
| 257 | L | 40.3 | Very low | 37 | Very low | 115 Ų | 115 | 111.4 Ų | 111.4 | 60% | 0.602 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.5 | -37.2 | 172.9 | -76.2 | 164.9 | 0 | 0 | 0 | 111.5 | R253 T259 | R253-L257 HydrophobicContact CG-CD1 4.36Å; R253-L257 WeakPolarHBondContact O-CB 3.23Å; R253-L257 WeakPolarHBondContact O-CD1 3.47Å; R253-L257 VanDerWaalsContact O-CG 3.27Å; R253-L257 WeakPolarHBondContact O-CG 3.35Å; R253-L257 PolarHBondContact O-N 3.44Å; L257-T259 VanDerWaalsContact C-N 3.31Å; L257-T259 PolarHBondContact O-N 2.88Å |
| 258 | A | 42.1 | Very low | 37 | Very low | 77 Ų | 77 | 114.4 Ų | 114.4 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.4 | -37.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | N254 I255 | N254-A258 PolarHBondContact O-N 2.87Å; I255-A258 PolarHBondContact O-N 3.13Å |
| 259 | T | 40.3 | Very low | 36.8 | Very low | 61 Ų | 61 | 115 Ų | 115 | 37% | 0.374 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -77.1 | -35.7 | -177.5 | -42 | 0 | 0 | 0 | 0 | 112.4 | I255 H256 L257 S261 S262 | I255-T259 PolarHBondContact O-N 3.18Å; I255-T259 VanDerWaalsContact O-N 3.11Å; I255-T259 PolarHBondContact O-OG1 3.07Å; H256-T259 PolarHBondContact O-N 3.13Å; L257-T259 VanDerWaalsContact C-N 3.31Å; L257-T259 PolarHBondContact O-N 2.88Å; T259-S261 VanDerWaalsContact C-N 3.29Å; T259-S261 PolarHBondContact O-N 2.68Å; T259-S262 PolarHBondContact O-N 3.38Å; T259-S262 PolarHBondContact O-OG 2.79Å |
| 260 | N | 35 | Very low | 36.9 | Very low | 66 Ų | 66 | 114.3 Ų | 114.3 | 35% | 0.353 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70 | -21.2 | -177.8 | -76.5 | -6.8 | 0 | 0 | 0 | 113.8 | H256 S262 Q263 I264 | H256-N260 PolarHBondContact ND1-OD1 3.19Å; H256-N260 WeakPolarHBondContact O-CB 3.04Å; H256-N260 VanDerWaalsContact O-CG 3.24Å; H256-N260 PolarHBondContact O-N 3.34Å; N260-S262 PolarHBondContact O-N 3.45Å; N260-Q263 PolarHBondContact O-N 3.36Å; N260-I264 WeakPolarHBondContact O-CG1 3.26Å; N260-I264 PolarHBondContact O-N 3.25Å |
| 261 | S | 39.1 | Very low | 36.8 | Very low | 100 Ų | 100 | 118.3 Ų | 118.3 | 70% | 0.699 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.5 | -31.7 | 170.7 | -166.4 | 0 | 0 | 0 | 0 | 111.8 | T259 | T259-S261 VanDerWaalsContact C-N 3.29Å; T259-S261 PolarHBondContact O-N 2.68Å |
| 262 | S | 40.3 | Very low | 36.8 | Very low | 88 Ų | 88 | 124.3 Ų | 124.3 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -82.5 | -18.5 | 177.2 | 67.3 | 0 | 0 | 0 | 0 | 114.8 | T259 N260 | T259-S262 PolarHBondContact O-N 3.38Å; T259-S262 PolarHBondContact O-OG 2.79Å; N260-S262 PolarHBondContact O-N 3.45Å |
| 263 | Q | 33.7 | Very low | 37 | Very low | 109 Ų | 109 | 120.8 Ų | 120.8 | 51% | 0.509 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -95.3 | -12.7 | -178.6 | -73.5 | -168.7 | -11.8 | 0 | 0 | 115 | N260 K265 L266 | N260-Q263 PolarHBondContact O-N 3.36Å; Q263-K265 PolarHBondContact O-N 2.84Å; Q263-K265 VanDerWaalsContact O-N 3.11Å; Q263-L266 PolarHBondContact O-N 2.76Å; Q263-L266 VanDerWaalsContact O-N 3.07Å |
| 264 | I | 36.6 | Very low | 37.2 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 68% | 0.682 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -20.5 | 177.7 | -71.4 | 166.8 | 0 | 0 | 0 | 112.1 | N260 L266 | N260-I264 WeakPolarHBondContact O-CG1 3.26Å; N260-I264 PolarHBondContact O-N 3.25Å; I264-L266 PolarHBondContact O-N 2.79Å |
| 265 | K | 37.9 | Very low | 37.2 | Very low | 203 Ų | 203 | 122.5 Ų | 122.5 | 88% | 0.883 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -6.5 | 174.6 | -81.2 | -173.1 | 176.7 | -178.9 | 0 | 116.1 | Q263 | Q263-K265 PolarHBondContact O-N 2.84Å; Q263-K265 VanDerWaalsContact O-N 3.11Å |
| 266 | L | 35.7 | Very low | 37.4 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 69% | 0.686 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -13.2 | -177 | -147.8 | 76.3 | 0 | 0 | 0 | 114.8 | Q263 I264 | Q263-L266 PolarHBondContact O-N 2.76Å; Q263-L266 VanDerWaalsContact O-N 3.07Å; I264-L266 PolarHBondContact O-N 2.79Å |
| 267 | N | 35.1 | Very low | 37.5 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.8 | 0.6 | -168.4 | -83.8 | -18.3 | 0 | 0 | 0 | 116.4 | T269 | N267-T269 VanDerWaalsContact C-N 3.27Å; N267-T269 PolarHBondContact O-N 3.37Å |
| 268 | E | 39.1 | Very low | 37.4 | Very low | 183 Ų | 183 | 125 Ų | 125 | 86% | 0.855 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -21.5 | 170.7 | -77 | -172.3 | 152.1 | 0 | 0 | 112.9 | ||
| 269 | T | 36.3 | Very low | 37.2 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 72% | 0.718 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -81.9 | -21.1 | -177 | -29.1 | 0 | 0 | 0 | 0 | 113.8 | N267 | N267-T269 VanDerWaalsContact C-N 3.27Å; N267-T269 PolarHBondContact O-N 3.37Å |
| 270 | N | 34.8 | Very low | 36.9 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | G | 310 helix | trans | -91.6 | -7.9 | -173.2 | -77.5 | -28.5 | 0 | 0 | 0 | 115.6 | R272 S273 | N270-R272 PolarHBondContact O-N 2.78Å; N270-S273 PolarHBondContact O-N 3.41Å |
| 271 | K | 38 | Very low | 36.7 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -68.8 | -14.9 | -178.9 | -93.9 | -177.4 | 177 | 176.7 | 0 | 114.7 | S273 | K271-S273 VanDerWaalsContact C-N 3.33Å; K271-S273 PolarHBondContact O-N 2.77Å |
| 272 | R | 38 | Very low | 36.7 | Very low | 234 Ų | 234 | 136.6 Ų | 136.6 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -75.9 | -16.8 | 177.4 | -107.4 | -179.3 | -178 | -177.5 | 1.3 | 114.3 | N270 | N270-R272 PolarHBondContact O-N 2.78Š|
| 273 | S | 34.1 | Very low | 36.4 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 50% | 0.503 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -96.4 | -13.2 | -169.3 | -40.2 | 0 | 0 | 0 | 0 | 114.6 | N270 K271 | N270-S273 PolarHBondContact O-N 3.41Å; K271-S273 VanDerWaalsContact C-N 3.33Å; K271-S273 PolarHBondContact O-N 2.77Å |
| 274 | Q | 37.6 | Very low | 36 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 67% | 0.673 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -87.8 | -22.4 | -175.9 | -90.7 | 176.6 | -28.1 | 0 | 0 | 114.5 | Q276 N277 | Q274-Q276 PolarHBondContact O-N 3.46Å; Q274-Q276 VanDerWaalsContact O-N 3.14Å; Q274-N277 PolarHBondContact O-N 3.34Å |
| 275 | Q | 39.7 | Very low | 35.9 | Very low | 165 Ų | 165 | 145.3 Ų | 145.3 | 77% | 0.771 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -14.9 | 178.1 | -122.9 | 173.2 | -2.7 | 0 | 0 | 113.5 | ||
| 276 | Q | 38 | Very low | 35.5 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -15.7 | 175.9 | -86.7 | 177.7 | -17.2 | 0 | 0 | 114.5 | Q274 | Q274-Q276 PolarHBondContact O-N 3.46Å; Q274-Q276 VanDerWaalsContact O-N 3.14Å |
| 277 | N | 35.4 | Very low | 35.1 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 50% | 0.497 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | -17.6 | -177.9 | -77.8 | -30.8 | 0 | 0 | 0 | 113.9 | Q274 I279 K280 | Q274-N277 PolarHBondContact O-N 3.34Å; N277-I279 PolarHBondContact O-N 2.81Å; N277-K280 PolarHBondContact O-N 2.71Å; N277-K280 VanDerWaalsContact O-N 3.07Å |
| 278 | D | 39.5 | Very low | 34.5 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 65% | 0.647 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -66.1 | -20.1 | 175.6 | -68.6 | -28.1 | 0 | 0 | 0 | 112.4 | K280 | D278-K280 VanDerWaalsContact C-N 3.28Å; D278-K280 PolarHBondContact O-N 3.47Å |
| 279 | I | 36.2 | Very low | 33.9 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 65% | 0.651 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -70.9 | -19.3 | 174.7 | -63.5 | 174.2 | 0 | 0 | 0 | 112.3 | N277 | N277-I279 PolarHBondContact O-N 2.81Å |
| 280 | K | 34.3 | Very low | 33.4 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -87.2 | -23.7 | -175.9 | -84.8 | -179.1 | 176.9 | 174.2 | 0 | 115.4 | N277 D278 | N277-K280 PolarHBondContact O-N 2.71Å; N277-K280 VanDerWaalsContact O-N 3.07Å; D278-K280 VanDerWaalsContact C-N 3.28Å; D278-K280 PolarHBondContact O-N 3.47Å |
| 281 | N | 32.2 | Very low | 32.9 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 68% | 0.684 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -102.5 | -12.1 | -169.5 | -77.5 | -27 | 0 | 0 | 0 | 116.3 | K283 R284 | N281-K283 PolarHBondContact O-N 2.8Å; N281-R284 PolarHBondContact O-N 3.32Å |
| 282 | I | 38.8 | Very low | 32.1 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -63.5 | -19.8 | 169 | -64.1 | 174.2 | 0 | 0 | 0 | 111.4 | R284 | I282-R284 PolarHBondContact O-N 3.37Š|
| 283 | K | 33 | Very low | 31.5 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -68.5 | -7.2 | 176.5 | -76.6 | -173.4 | 176.6 | -178.4 | 0 | 115.5 | N281 N285 | N281-K283 PolarHBondContact O-N 2.8Å; K283-N285 VanDerWaalsContact C-N 3.26Å; K283-N285 PolarHBondContact O-N 3.44Å |
| 284 | R | 26.5 | Very low | 31.1 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -74.9 | -13.2 | 177.5 | -128.5 | 179 | -156.5 | 169.2 | 7.5 | 114.1 | N281 I282 K286 | N281-R284 PolarHBondContact O-N 3.32Å; I282-R284 PolarHBondContact O-N 3.37Å; R284-K286 PolarHBondContact O-N 3.48Å |
| 285 | N | 33.1 | Very low | 30.4 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -77.8 | 13.2 | 174.9 | -76.3 | -5 | 0 | 0 | 0 | 114.2 | K283 | K283-N285 VanDerWaalsContact C-N 3.26Å; K283-N285 PolarHBondContact O-N 3.44Å |
| 286 | K | 31.3 | Very low | 29.7 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -122.5 | 36.3 | -177.7 | -137.2 | -179.8 | -172.7 | -177.9 | 0 | 114.2 | R284 T288 | R284-K286 PolarHBondContact O-N 3.48Å; K286-T288 VanDerWaalsContact C-N 3.29Å |
| 287 | Y | 25.8 | Very low | 29.2 | Very low | 211 Ų | 211 | 144.9 Ų | 144.9 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | -97.8 | 61.4 | 157 | -71.9 | -80.3 | 0 | 0 | 0 | 109.7 | ||||
| 288 | T | 23 | Very low | 28.8 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 61% | 0.607 | 75% | 0.747 | S | S | * | * | trans | -76.2 | 144.1 | 155.3 | 39.4 | 0 | 0 | 0 | 0 | 109.6 | K286 | K286-T288 VanDerWaalsContact C-N 3.29Š| ||
| 289 | N | 25.9 | Very low | 28.1 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | 65.2 | 94.4 | 156.3 | -81.2 | -21.1 | 0 | 0 | 0 | 118.6 | ||||
| 290 | I | 25.8 | Very low | 27.7 | Very low | 154 Ų | 154 | 153.4 Ų | 153.4 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -135.9 | 96.7 | 149.7 | -61.4 | -179 | 0 | 0 | 0 | 104.4 | ||||
| 291 | N | 24.4 | Very low | 27.5 | Very low | 148 Ų | 148 | 155.3 Ų | 155.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 65.3 | 136.7 | 106.9 | -76.7 | -9 | 0 | 0 | 0 | 113.2 | |||||
| 292 | S | 22.6 | Very low | 27.5 | Very low | 99 Ų | 99 | 155.8 Ų | 155.8 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | cis | -168.4 | 151.1 | 13.4 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 293 | N | 25 | Very low | 27.1 | Very low | 143 Ų | 143 | 158.1 Ų | 158.1 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | -11.9 | 122.7 | 157.9 | -62 | -30.6 | 0 | 0 | 0 | 116.1 | ||||
| 294 | N | 25.3 | Very low | 26.9 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -123 | 110.8 | 148.7 | -134.6 | -2.4 | 0 | 0 | 0 | 109.1 | ||||
| 295 | T | 23.5 | Very low | 27.2 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | trans | -69.2 | 140.2 | -175.1 | 38 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 296 | N | 25.1 | Very low | 27 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 38.4 | 101.6 | 141.3 | -61.8 | -20.3 | 0 | 0 | 0 | 118 | ||||
| 297 | N | 25.9 | Very low | 27 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | trans | -129.4 | 85 | 144.6 | -95.7 | -24.4 | 0 | 0 | 0 | 109.4 | ||||
| 298 | H | 27.8 | Very low | 27.2 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | trans | -90.4 | 81.4 | 166.7 | -175.5 | -62.8 | 0 | 0 | 0 | 107.9 | ||||
| 299 | Y | 25.4 | Very low | 27.4 | Very low | 211 Ų | 211 | 143.6 Ų | 143.6 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -148.7 | 128.2 | 161.3 | -98.4 | -79.4 | 0 | 0 | 0 | 112.2 | ||||
| 300 | N | 26.7 | Very low | 27.5 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 80.2 | 72.6 | 159.9 | -60.4 | -17.7 | 0 | 0 | 0 | 119.2 | ||||
| 301 | K | 29.5 | Very low | 27.7 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -33.1 | 133.5 | 137.2 | -79.6 | 171.1 | 170.2 | 170.8 | 0 | 112.9 | ||||
| 302 | L | 33.5 | Very low | 28.1 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 97.5 | 8.5 | 141.2 | -114.9 | 99.7 | 0 | 0 | 0 | 123 | ||
| 303 | F | 29.9 | Very low | 28.9 | Very low | 187 Ų | 187 | 138 Ų | 138 | 82% | 0.82 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -119.1 | -5.2 | 177.1 | -111.2 | -87.5 | 0 | 0 | 0 | 121 | ||
| 304 | P | 29.6 | Very low | 29.7 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 59% | 0.591 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -99.2 | 3.1 | 176 | 35 | -29.8 | 0 | 0 | 0 | 115.8 | I306 I307 S308 | P304-I306 PolarHBondContact O-N 2.79Å; P304-I306 VanDerWaalsContact O-N 3.13Å; P304-I307 PolarHBondContact O-N 2.87Å; P304-S308 PolarHBondContact O-N 3.34Å |
| 305 | I | 32.4 | Very low | 30.5 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 68% | 0.677 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -20.5 | -178.9 | -59.7 | 177.1 | 0 | 0 | 0 | 112.3 | ||
| 306 | I | 29.6 | Very low | 31.2 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 76% | 0.759 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -19.1 | 179.5 | -60.7 | 177 | 0 | 0 | 0 | 112.6 | P304 | P304-I306 PolarHBondContact O-N 2.79Å; P304-I306 VanDerWaalsContact O-N 3.13Å |
| 307 | I | 29.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -19 | -174.3 | -60.1 | 178 | 0 | 0 | 0 | 112.4 | P304 C309 L310 | P304-I307 PolarHBondContact O-N 2.87Å; I307-C309 PolarHBondContact O-N 3.47Å; I307-C309 VanDerWaalsContact O-N 3.13Å; I307-L310 PolarHBondContact O-N 3.24Å; I307-L310 VanDerWaalsContact O-N 3.14Å |
| 308 | S | 29.6 | Very low | 33 | Very low | 82 Ų | 82 | 112.6 Ų | 112.6 | 57% | 0.573 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -14.6 | -179 | 69.2 | 0 | 0 | 0 | 0 | 114.5 | P304 | P304-S308 PolarHBondContact O-N 3.34Š|
| 309 | C | 27.9 | Very low | 33.2 | Very low | 117 Ų | 117 | 109.8 Ų | 109.8 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -6 | 175.2 | -67.4 | 0 | 0 | 0 | 0 | 114.4 | I307 | I307-C309 PolarHBondContact O-N 3.47Å; I307-C309 VanDerWaalsContact O-N 3.13Å |
| 310 | L | 28.5 | Very low | 33.6 | Very low | 159 Ų | 159 | 105.9 Ų | 105.9 | 83% | 0.832 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -112 | 11.5 | -173 | -80 | 170 | 0 | 0 | 0 | 115.4 | I307 | I307-L310 PolarHBondContact O-N 3.24Å; I307-L310 VanDerWaalsContact O-N 3.14Å |
| 311 | S | 29.9 | Very low | 34 | Very low | 83 Ų | 83 | 101 Ų | 101 | 58% | 0.58 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -120.7 | 117.4 | -180 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 312 | I | 33.2 | Very low | 34.2 | Very low | 144 Ų | 144 | 96.1 Ų | 96.1 | 74% | 0.738 | 52% | 0.521 | S | S | * | . | trans | 93.9 | 77.1 | 156.2 | -47.5 | 170.2 | 0 | 0 | 0 | 116 | L314 | I312-L314 VanDerWaalsContact C-N 3.25Å; I312-L314 PolarHBondContact O-N 3.49Å | ||
| 313 | S | 38.8 | Very low | 34.5 | Very low | 53 Ų | 53 | 95 Ų | 95 | 37% | 0.371 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -23.7 | 10.4 | 163 | 59.1 | 0 | 0 | 0 | 0 | 123.3 | L157 L315 | L157-S313 WeakPolarHBondContact CD2-O 3.21Å; L157-S313 WeakPolarHBondContact CD2-OG 3.5Å; S313-L315 VanDerWaalsContact C-N 3.28Å |
| 314 | L | 42.3 | Very low | 34.7 | Very low | 67 Ų | 67 | 92 Ų | 92 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -15.7 | 169.7 | -130 | 99.2 | 0 | 0 | 0 | 113.3 | Y156 L157 I312 | Y156-L314 HydrophobicContact CD1-CD2 4.29Å; Y156-L314 HydrophobicContact CD2-CD1 4.46Å; Y156-L314 HydrophobicContact CD2-CD2 3.94Å; Y156-L314 HydrophobicContact CG-CD1 4.41Å; Y156-L314 HydrophobicContact CG-CD2 3.75Å; Y156-L314 HydrophobicContact CG-CG 4.21Å; L157-L314 HydrophobicContact CD2-CD1 4.08Å; L157-L314 HydrophobicContact CG-CD1 4.41Å; I312-L314 VanDerWaalsContact C-N 3.25Å; I312-L314 PolarHBondContact O-N 3.49Å |
| 315 | L | 41 | Very low | 34.9 | Very low | 33 Ų | 33 | 94.4 Ų | 94.4 | 17% | 0.173 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -124 | -7.6 | -164.9 | -81.1 | 131.1 | 0 | 0 | 0 | 115.3 | V29 W101 S313 T317 V318 | V29-L315 HydrophobicContact CB-CD1 3.93Å; V29-L315 HydrophobicContact CB-CD2 4.06Å; V29-L315 HydrophobicContact CB-CG 4.38Å; V29-L315 HydrophobicContact CG1-CD1 3.49Å; V29-L315 VanDerWaalsContact CG1-CD1 3.49Å; V29-L315 HydrophobicContact CG1-CG 4.43Å; V29-L315 HydrophobicContact CG2-CB 3.63Å; V29-L315 HydrophobicContact CG2-CD1 3.72Å; V29-L315 HydrophobicContact CG2-CD2 3.52Å; V29-L315 HydrophobicContact CG2-CG 3.75Å; W101-L315 HydrophobicContact CH2-CD2 3.84Å; W101-L315 HydrophobicContact CZ2-CD2 3.65Å; S313-L315 VanDerWaalsContact C-N 3.28Å; L315-T317 PolarHBondContact O-N 2.88Å; L315-V318 PolarHBondContact O-N 3.02Å; L315-V318 VanDerWaalsContact O-N 3.17Å |
| 316 | S | 39.7 | Very low | 35 | Very low | 65 Ų | 65 | 92.5 Ų | 92.5 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.8 | 174.2 | -51.3 | 0 | 0 | 0 | 0 | 112.8 | V318 L319 K320 | S316-V318 PolarHBondContact O-N 3.26Å; S316-L319 PolarHBondContact O-N 3.37Å; S316-K320 PolarHBondContact O-N 3.03Å |
| 317 | T | 44.2 | Very low | 35.3 | Very low | 13 Ų | 13 | 89.6 Ų | 89.6 | 8% | 0.08 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -47.7 | -43.5 | 171 | -23.1 | 0 | 0 | 0 | 0 | 112.3 | L159 A160 L315 L319 K320 Y321 | L159-T317 WeakPolarHBondContact O-CG2 3.44Å; A160-T317 WeakPolarHBondContact CA-OG1 3.35Å; A160-T317 HydrophobicContact CB-CG2 4.29Å; A160-T317 WeakPolarHBondContact CB-OG1 3.13Å; A160-T317 VanDerWaalsContact O-CA 3.26Å; A160-T317 WeakPolarHBondContact O-CA 3.24Å; A160-T317 WeakPolarHBondContact O-CG2 3.22Å; L315-T317 PolarHBondContact O-N 2.88Å; T317-L319 PolarHBondContact O-N 2.89Å; T317-K320 PolarHBondContact O-N 3.34Å; T317-Y321 PolarHBondContact O-N 3.11Å |
| 318 | V | 44.6 | Very low | 35.6 | Very low | 19 Ų | 19 | 87.9 Ų | 87.9 | 12% | 0.115 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -82.4 | -17.8 | -161.7 | -147.7 | 0 | 0 | 0 | 0 | 110.8 | F96 R97 L315 S316 | F96-V318 HydrophobicContact CD1-CG1 4.3Å; F96-V318 HydrophobicContact CE1-CG1 4.3Å; R97-V318 VanDerWaalsContact CD-CG1 3.42Å; R97-V318 HydrophobicContact CG-CG1 3.44Å; R97-V318 VanDerWaalsContact CG-CG1 3.44Å; R97-V318 VanDerWaalsContact CZ-CB 3.47Å; R97-V318 PolarHBondContact NH2-O 3.39Å; L315-V318 PolarHBondContact O-N 3.02Å; L315-V318 VanDerWaalsContact O-N 3.17Å; S316-V318 PolarHBondContact O-N 3.26Å |
| 319 | L | 31.6 | Very low | 36 | Very low | 108 Ų | 108 | 88.2 Ų | 88.2 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -81.2 | -34.9 | 169.5 | -83.2 | 155 | 0 | 0 | 0 | 112.3 | S316 T317 V323 | S316-L319 PolarHBondContact O-N 3.37Å; T317-L319 PolarHBondContact O-N 2.89Å; L319-V323 WeakPolarHBondContact O-CG2 3.34Å |
| 320 | K | 33.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 86.4 Ų | 86.4 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.9 | -35.9 | -173.1 | -155.4 | 171.2 | -176.7 | -179 | 0 | 112.9 | S316 T317 E322 V323 D324 | S316-K320 PolarHBondContact O-N 3.03Å; T317-K320 PolarHBondContact O-N 3.34Å; K320-E322 PolarHBondContact O-N 3.41Å; K320-V323 PolarHBondContact O-N 3.16Å; K320-D324 PolarHBondContact O-N 3.41Å |
| 321 | Y | 35.3 | Very low | 37 | Very low | 38 Ų | 38 | 81.6 Ų | 81.6 | 15% | 0.149 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.7 | -33.6 | -178.7 | -164.9 | -88.6 | 0 | 0 | 0 | 113.5 | S167 R168 N169 A170 Y173 T317 V325 | S167-Y321 PolarHBondContact O-OH 3.3Å; R168-Y321 WeakPolarHBondContact CA-OH 3.42Å; R168-Y321 PolarHBondContact O-OH 3.18Å; N169-Y321 PolarHBondContact N-OH 3.24Å; A170-Y321 HydrophobicContact CB-CE1 3.89Å; A170-Y321 PolarHBondContact N-OH 3.37Å; A170-Y321 VanDerWaalsContact N-OH 3.16Å; Y173-Y321 HydrophobicContact CD1-CD2 4.26Å; Y173-Y321 HydrophobicContact CD1-CE2 4.3Å; T317-Y321 PolarHBondContact O-N 3.11Å; Y321-V325 HydrophobicContact CD1-CG2 4.19Å; Y321-V325 HydrophobicContact CE1-CG2 3.8Å; Y321-V325 WeakPolarHBondContact O-CG2 3.42Å |
| 322 | E | 33.6 | Very low | 37.5 | Very low | 91 Ų | 91 | 81.5 Ų | 81.5 | 43% | 0.425 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -82.5 | -14.2 | 178.8 | -79.3 | 173 | -168 | 0 | 0 | 113.5 | S94 K320 | S94-E322 VanDerWaalsContact CB-OE1 3.31Å; S94-E322 WeakPolarHBondContact CB-OE1 3.44Å; S94-E322 PolarHBondContact OG-OE1 3.44Å; K320-E322 PolarHBondContact O-N 3.41Å |
| 323 | V | 38.8 | Very low | 37.9 | Very low | 116 Ų | 116 | 76.7 Ų | 76.7 | 70% | 0.703 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -81.9 | -24 | 172.2 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | L319 K320 | L319-V323 WeakPolarHBondContact O-CG2 3.34Å; K320-V323 PolarHBondContact O-N 3.16Å |
| 324 | D | 34.8 | Very low | 37.8 | Very low | 124 Ų | 124 | 78.7 Ų | 78.7 | 66% | 0.663 | 42% | 0.424 | S | S | * | . | trans | -100.4 | 1.3 | -175.7 | -68.4 | -29.4 | 0 | 0 | 0 | 114.4 | K320 | K320-D324 PolarHBondContact O-N 3.41Š| ||
| 325 | V | 34.1 | Very low | 37.4 | Very low | 140 Ų | 140 | 79.7 Ų | 79.7 | 85% | 0.848 | 43% | 0.431 | S | S | * | . | trans | -108.6 | 0 | 173.2 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | Y321 | Y321-V325 HydrophobicContact CD1-CG2 4.19Å; Y321-V325 HydrophobicContact CE1-CG2 3.8Å; Y321-V325 WeakPolarHBondContact O-CG2 3.42Å |
Retrieved 325 of 325 residues in 314.2 ms
(Link to these results)