| 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 | 63.9 | Low | 76.5 | Confident | 201 Ų | 201 | 124.5 Ų | 124.5 | 99% | 0.99 | 62% | 0.623 | S | S | * | * | 0 | -15.7 | 0 | -76.1 | -172.1 | 171.9 | 0 | 0 | 112.2 | M4 S5 | M1-M4 PolarHBondContact O-N 3.33Å; M1-S5 PolarHBondContact O-N 2.93Å | |||
| 2 | D | 73.6 | Confident | 76.9 | Confident | 132 Ų | 132 | 117.9 Ų | 117.9 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.8 | -32.6 | -172.9 | -51.5 | -62.3 | 0 | 0 | 0 | 114.7 | M4 S5 L6 | D2-M4 VanDerWaalsContact C-N 3.27Å; D2-M4 PolarHBondContact O-N 3.05Å; D2-S5 PolarHBondContact O-N 3.18Å; D2-L6 WeakPolarHBondContact O-CB 3.44Å; D2-L6 PolarHBondContact O-N 3.03Å |
| 3 | V | 75.6 | Confident | 77.3 | Confident | 128 Ų | 128 | 117.3 Ų | 117.3 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.4 | -37.9 | 177.3 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | S7 | V3-S7 WeakPolarHBondContact O-CB 3.47Å; V3-S7 PolarHBondContact O-N 3.42Å |
| 4 | M | 74.7 | Confident | 77.7 | Confident | 126 Ų | 126 | 121.7 Ų | 121.7 | 62% | 0.621 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.4 | -43.2 | 177.7 | -138.2 | 177.9 | -178.3 | 0 | 0 | 110.9 | M1 D2 L6 S7 Y8 | M1-M4 PolarHBondContact O-N 3.33Å; D2-M4 VanDerWaalsContact C-N 3.27Å; D2-M4 PolarHBondContact O-N 3.05Å; M4-L6 VanDerWaalsContact C-N 3.34Å; M4-L6 PolarHBondContact O-N 3.21Å; M4-S7 PolarHBondContact O-N 3.19Å; M4-Y8 HydrophobicContact CE-CE2 4.39Å; M4-Y8 HydrophobicContact CG-CD2 4.39Å; M4-Y8 HydrophobicContact CG-CE2 3.84Å; M4-Y8 WeakPolarHBondContact O-CD2 3.48Å; M4-Y8 PolarHBondContact O-N 3.42Å; M4-Y8 HydrophobicContact SD-CE2 4.44Å |
| 5 | S | 73.9 | Confident | 78.1 | Confident | 55 Ų | 55 | 118.1 Ų | 118.1 | 39% | 0.385 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60 | -42.1 | 175.5 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | M1 D2 Y8 R9 | M1-S5 PolarHBondContact O-N 2.93Å; D2-S5 PolarHBondContact O-N 3.18Å; S5-Y8 PolarHBondContact O-N 3.25Å; S5-R9 WeakPolarHBondContact O-CG 3.3Å; S5-R9 PolarHBondContact O-N 2.78Å |
| 6 | L | 74.9 | Confident | 78.4 | Confident | 105 Ų | 105 | 120.4 Ų | 120.4 | 55% | 0.55 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67 | -40 | 177.9 | -165.1 | 69.5 | 0 | 0 | 0 | 111.7 | D2 M4 R9 N10 | D2-L6 WeakPolarHBondContact O-CB 3.44Å; D2-L6 PolarHBondContact O-N 3.03Å; M4-L6 VanDerWaalsContact C-N 3.34Å; M4-L6 PolarHBondContact O-N 3.21Å; L6-R9 PolarHBondContact O-N 3.3Å; L6-N10 WeakPolarHBondContact O-CB 3.45Å; L6-N10 VanDerWaalsContact O-CG 3.28Å; L6-N10 PolarHBondContact O-N 3.04Å; L6-N10 PolarHBondContact O-ND2 3.48Å |
| 7 | S | 80.9 | Confident | 78.8 | Confident | 75 Ų | 75 | 120.1 Ų | 120.1 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.3 | -45.9 | 175 | -174.8 | 0 | 0 | 0 | 0 | 112 | V3 M4 N10 F11 | V3-S7 WeakPolarHBondContact O-CB 3.47Å; V3-S7 PolarHBondContact O-N 3.42Å; M4-S7 PolarHBondContact O-N 3.19Å; S7-N10 PolarHBondContact O-N 2.76Å; S7-F11 WeakPolarHBondContact O-CB 3.32Å; S7-F11 PolarHBondContact O-N 2.82Å |
| 8 | Y | 79 | Confident | 79.1 | Confident | 151 Ų | 151 | 120.1 Ų | 120.1 | 59% | 0.592 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.2 | -40.8 | 176 | -75.4 | -66.7 | 0 | 0 | 0 | 112.8 | M4 S5 F11 A12 | M4-Y8 HydrophobicContact CE-CE2 4.39Å; M4-Y8 HydrophobicContact CG-CD2 4.39Å; M4-Y8 HydrophobicContact CG-CE2 3.84Å; M4-Y8 WeakPolarHBondContact O-CD2 3.48Å; M4-Y8 PolarHBondContact O-N 3.42Å; M4-Y8 HydrophobicContact SD-CE2 4.44Å; S5-Y8 PolarHBondContact O-N 3.25Å; Y8-F11 PolarHBondContact O-N 2.84Å; Y8-A12 WeakPolarHBondContact O-CB 3.47Å; Y8-A12 PolarHBondContact O-N 3.19Å |
| 9 | R | 81.7 | Confident | 79.3 | Confident | 173 Ų | 173 | 116.7 Ų | 116.7 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.6 | -45 | 176 | -75.3 | 177 | 177.8 | -143.1 | -0.8 | 111.6 | S5 L6 A12 L13 | S5-R9 WeakPolarHBondContact O-CG 3.3Å; S5-R9 PolarHBondContact O-N 2.78Å; L6-R9 PolarHBondContact O-N 3.3Å; R9-A12 PolarHBondContact O-N 2.9Å; R9-L13 WeakPolarHBondContact O-CG 3.28Å; R9-L13 PolarHBondContact O-N 3.44Å |
| 10 | N | 82.7 | Confident | 79.5 | Confident | 76 Ų | 76 | 113.1 Ų | 113.1 | 41% | 0.406 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.6 | -46.9 | 176.2 | -73 | -24.3 | 0 | 0 | 0 | 110.9 | L6 S7 A12 L13 Y14 | L6-N10 WeakPolarHBondContact O-CB 3.45Å; L6-N10 VanDerWaalsContact O-CG 3.28Å; L6-N10 PolarHBondContact O-N 3.04Å; L6-N10 PolarHBondContact O-ND2 3.48Å; S7-N10 PolarHBondContact O-N 2.76Å; N10-A12 VanDerWaalsContact C-N 3.33Å; N10-A12 PolarHBondContact O-N 2.74Å; N10-L13 PolarHBondContact O-N 2.82Å; N10-Y14 VanDerWaalsContact O-CD2 3.26Å; N10-Y14 WeakPolarHBondContact O-CD2 3.44Å; N10-Y14 PolarHBondContact O-N 3.2Å |
| 11 | F | 80.2 | Confident | 80 | Confident | 148 Ų | 148 | 111.6 Ų | 111.6 | 65% | 0.649 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59 | -43.4 | 176.9 | -177 | -98.2 | 0 | 0 | 0 | 112.4 | S7 Y8 Y14 S15 | S7-F11 WeakPolarHBondContact O-CB 3.32Å; S7-F11 PolarHBondContact O-N 2.82Å; Y8-F11 PolarHBondContact O-N 2.84Å; F11-Y14 PolarHBondContact O-N 2.89Å; F11-S15 WeakPolarHBondContact O-CB 3.36Å; F11-S15 PolarHBondContact O-N 3.41Å |
| 12 | A | 81.9 | Confident | 81.2 | Confident | 45 Ų | 45 | 107.6 Ų | 107.6 | 37% | 0.372 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y8 R9 N10 S15 K16 | Y8-A12 WeakPolarHBondContact O-CB 3.47Å; Y8-A12 PolarHBondContact O-N 3.19Å; R9-A12 PolarHBondContact O-N 2.9Å; N10-A12 VanDerWaalsContact C-N 3.33Å; N10-A12 PolarHBondContact O-N 2.74Å; A12-S15 PolarHBondContact O-N 2.84Å; A12-K16 WeakPolarHBondContact O-CG 3.38Å; A12-K16 PolarHBondContact O-N 3.17Å |
| 13 | L | 82.3 | Confident | 81.9 | Confident | 110 Ų | 110 | 104.2 Ų | 104.2 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 175.2 | -74.3 | 174.7 | 0 | 0 | 0 | 111.8 | R9 N10 S15 K16 H17 | R9-L13 WeakPolarHBondContact O-CG 3.28Å; R9-L13 PolarHBondContact O-N 3.44Å; N10-L13 PolarHBondContact O-N 2.82Å; L13-S15 VanDerWaalsContact C-N 3.34Å; L13-S15 PolarHBondContact O-N 2.89Å; L13-K16 PolarHBondContact O-N 2.82Å; L13-H17 WeakPolarHBondContact O-CB 3.4Å; L13-H17 PolarHBondContact O-N 3.41Å |
| 14 | Y | 82.3 | Confident | 82.6 | Confident | 179 Ų | 179 | 104 Ų | 104 | 70% | 0.702 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 175 | -91 | -77.2 | 0 | 0 | 0 | 111.8 | N10 F11 H17 F18 | N10-Y14 VanDerWaalsContact O-CD2 3.26Å; N10-Y14 WeakPolarHBondContact O-CD2 3.44Å; N10-Y14 PolarHBondContact O-N 3.2Å; F11-Y14 PolarHBondContact O-N 2.89Å; Y14-H17 PolarHBondContact O-N 3.48Å; Y14-F18 VanDerWaalsContact O-CB 3.28Å; Y14-F18 WeakPolarHBondContact O-CB 3.49Å; Y14-F18 PolarHBondContact O-N 3.49Å |
| 15 | S | 83.3 | Confident | 83.5 | Confident | 67 Ų | 67 | 102.3 Ų | 102.3 | 47% | 0.469 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 177.6 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | F11 A12 L13 F18 A19 | F11-S15 WeakPolarHBondContact O-CB 3.36Å; F11-S15 PolarHBondContact O-N 3.41Å; A12-S15 PolarHBondContact O-N 2.84Å; L13-S15 VanDerWaalsContact C-N 3.34Å; L13-S15 PolarHBondContact O-N 2.89Å; S15-F18 PolarHBondContact O-N 3.22Å; S15-A19 WeakPolarHBondContact O-CB 3.14Å; S15-A19 PolarHBondContact O-N 3.38Å |
| 16 | K | 84 | Confident | 84.3 | Confident | 156 Ų | 156 | 103.7 Ų | 103.7 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 176.1 | -74.4 | -179.1 | 178.7 | -172.6 | 0 | 111.6 | A12 L13 A19 S20 | A12-K16 WeakPolarHBondContact O-CG 3.38Å; A12-K16 PolarHBondContact O-N 3.17Å; L13-K16 PolarHBondContact O-N 2.82Å; K16-A19 PolarHBondContact O-N 2.86Å; K16-S20 PolarHBondContact O-N 3.26Å |
| 17 | H | 85.4 | Confident | 85 | Confident | 114 Ų | 114 | 99.8 Ų | 99.8 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 178.2 | -169.9 | -95.4 | 0 | 0 | 0 | 111.6 | L13 Y14 S20 L21 | L13-H17 WeakPolarHBondContact O-CB 3.4Å; L13-H17 PolarHBondContact O-N 3.41Å; Y14-H17 PolarHBondContact O-N 3.48Å; H17-S20 PolarHBondContact O-N 3.3Å; H17-L21 PolarHBondContact O-N 3.39Å |
| 18 | F | 82.6 | Confident | 85.5 | Confident | 120 Ų | 120 | 101.2 Ų | 101.2 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.2 | -177.2 | -121.8 | 0 | 0 | 0 | 112.5 | Y14 S15 L21 K22 | Y14-F18 VanDerWaalsContact O-CB 3.28Å; Y14-F18 WeakPolarHBondContact O-CB 3.49Å; Y14-F18 PolarHBondContact O-N 3.49Å; S15-F18 PolarHBondContact O-N 3.22Å; F18-L21 PolarHBondContact O-N 3.31Å; F18-K22 HydrophobicContact CD1-CD 4.41Å; F18-K22 HydrophobicContact CE1-CD 4.22Å; F18-K22 HydrophobicContact CZ-CD 4.46Å; F18-K22 WeakPolarHBondContact O-CG 3.48Å; F18-K22 PolarHBondContact O-N 3.43Å |
| 19 | A | 82.9 | Confident | 86.1 | Confident | 56 Ų | 56 | 96.7 Ų | 96.7 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S15 K16 L21 K22 S23 | S15-A19 WeakPolarHBondContact O-CB 3.14Å; S15-A19 PolarHBondContact O-N 3.38Å; K16-A19 PolarHBondContact O-N 2.86Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-L21 PolarHBondContact O-N 3.31Å; A19-K22 PolarHBondContact O-N 3.01Å; A19-S23 PolarHBondContact O-N 2.99Å |
| 20 | S | 85.1 | Confident | 86.5 | Confident | 44 Ų | 44 | 89.6 Ų | 89.6 | 31% | 0.308 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | K16 H17 K22 S23 K24 | K16-S20 PolarHBondContact O-N 3.26Å; H17-S20 PolarHBondContact O-N 3.3Å; S20-K22 VanDerWaalsContact C-N 3.34Å; S20-S23 PolarHBondContact O-OG 2.83Å; S20-K24 WeakPolarHBondContact O-CB 3.16Å; S20-K24 WeakPolarHBondContact O-CD 3.37Å; S20-K24 VanDerWaalsContact O-CG 3.23Å; S20-K24 WeakPolarHBondContact O-CG 3.37Å; S20-K24 PolarHBondContact O-N 3.37Å; S20-K24 VanDerWaalsContact O-N 3.13Å; S20-K24 WeakPolarHBondContact OG-CE 3.22Å; S20-K24 PolarHBondContact OG-NZ 2.94Å |
| 21 | L | 89.6 | Confident | 86.9 | Confident | 83 Ų | 83 | 92.7 Ų | 92.7 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 178.1 | -135.5 | 76.5 | 0 | 0 | 0 | 111.3 | H17 F18 A19 K24 V25 | H17-L21 PolarHBondContact O-N 3.39Å; F18-L21 PolarHBondContact O-N 3.31Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-L21 PolarHBondContact O-N 3.31Å; L21-K24 PolarHBondContact O-N 2.95Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.2Å; L21-V25 PolarHBondContact O-N 3.28Å |
| 22 | K | 89.2 | Confident | 87.5 | Confident | 116 Ų | 116 | 90.2 Ų | 90.2 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -49 | 176.8 | -75.1 | 174.8 | 173.4 | 174.1 | 0 | 112.2 | F18 A19 S20 K24 V25 V26 | F18-K22 HydrophobicContact CD1-CD 4.41Å; F18-K22 HydrophobicContact CE1-CD 4.22Å; F18-K22 HydrophobicContact CZ-CD 4.46Å; F18-K22 WeakPolarHBondContact O-CG 3.48Å; F18-K22 PolarHBondContact O-N 3.43Å; A19-K22 PolarHBondContact O-N 3.01Å; S20-K22 VanDerWaalsContact C-N 3.34Å; K22-K24 VanDerWaalsContact C-N 3.3Å; K22-K24 PolarHBondContact O-N 3.08Å; K22-V25 PolarHBondContact O-N 3.37Å; K22-V26 WeakPolarHBondContact O-CG2 3.18Å; K22-V26 PolarHBondContact O-N 2.93Å; K22-V26 VanDerWaalsContact O-N 3.07Å |
| 23 | S | 87.6 | Confident | 87.8 | Confident | 62 Ų | 62 | 92.5 Ų | 92.5 | 43% | 0.434 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 179.4 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | A19 S20 V26 A27 | A19-S23 PolarHBondContact O-N 2.99Å; S20-S23 PolarHBondContact O-OG 2.83Å; S23-V26 PolarHBondContact O-N 3.44Å; S23-A27 WeakPolarHBondContact O-CB 3.27Å; S23-A27 PolarHBondContact O-N 3.49Å |
| 24 | K | 91.3 | Very high | 88 | Confident | 122 Ų | 122 | 87.9 Ų | 87.9 | 53% | 0.53 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 175 | -72.2 | 170.1 | 180 | 171.3 | 0 | 113.2 | S20 L21 K22 A27 L28 | S20-K24 WeakPolarHBondContact O-CB 3.16Å; S20-K24 WeakPolarHBondContact O-CD 3.37Å; S20-K24 VanDerWaalsContact O-CG 3.23Å; S20-K24 WeakPolarHBondContact O-CG 3.37Å; S20-K24 PolarHBondContact O-N 3.37Å; S20-K24 VanDerWaalsContact O-N 3.13Å; S20-K24 WeakPolarHBondContact OG-CE 3.22Å; S20-K24 PolarHBondContact OG-NZ 2.94Å; L21-K24 PolarHBondContact O-N 2.95Å; K22-K24 VanDerWaalsContact C-N 3.3Å; K22-K24 PolarHBondContact O-N 3.08Å; K24-A27 PolarHBondContact O-N 3Å; K24-L28 VanDerWaalsContact O-CB 3.28Å; K24-L28 WeakPolarHBondContact O-CB 2.96Å; K24-L28 PolarHBondContact O-N 3.17Å |
| 25 | V | 92.7 | Very high | 88.2 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | 178.1 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | L21 K22 L28 A29 | L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.2Å; L21-V25 PolarHBondContact O-N 3.28Å; K22-V25 PolarHBondContact O-N 3.37Å; V25-L28 PolarHBondContact O-N 2.88Å; V25-A29 PolarHBondContact O-N 3.11Å |
| 26 | V | 91.1 | Very high | 88.5 | Confident | 83 Ų | 83 | 82.9 Ų | 82.9 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 177.5 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | K22 S23 L28 A29 V30 L113 | K22-V26 WeakPolarHBondContact O-CG2 3.18Å; K22-V26 PolarHBondContact O-N 2.93Å; K22-V26 VanDerWaalsContact O-N 3.07Å; S23-V26 PolarHBondContact O-N 3.44Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.06Å; V26-A29 PolarHBondContact O-N 2.78Å; V26-V30 WeakPolarHBondContact O-CG2 3.13Å; V26-V30 PolarHBondContact O-N 3.3Å; V26-V30 VanDerWaalsContact O-N 3.13Å; V26-L113 HydrophobicContact CG1-CD1 4.34Å |
| 27 | A | 89.7 | Confident | 88.5 | Confident | 24 Ų | 24 | 77 Ų | 77 | 20% | 0.198 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S23 K24 A29 V30 Y31 | S23-A27 WeakPolarHBondContact O-CB 3.27Å; S23-A27 PolarHBondContact O-N 3.49Å; K24-A27 PolarHBondContact O-N 3Å; A27-A29 PolarHBondContact O-N 2.99Å; A27-V30 PolarHBondContact O-N 3.35Å; A27-Y31 HydrophobicContact CB-CE2 4.3Å; A27-Y31 VanDerWaalsContact O-CD2 3.26Å; A27-Y31 WeakPolarHBondContact O-CD2 3.44Å; A27-Y31 VanDerWaalsContact O-CG 3.3Å; A27-Y31 PolarHBondContact O-N 3.13Å |
| 28 | L | 91.6 | Very high | 88.3 | Confident | 105 Ų | 105 | 76.6 Ų | 76.6 | 55% | 0.55 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -42 | 177.7 | -178.9 | 148 | 0 | 0 | 0 | 112 | K24 V25 V26 V30 Y31 I32 | K24-L28 VanDerWaalsContact O-CB 3.28Å; K24-L28 WeakPolarHBondContact O-CB 2.96Å; K24-L28 PolarHBondContact O-N 3.17Å; V25-L28 PolarHBondContact O-N 2.88Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.06Å; L28-V30 PolarHBondContact O-N 3.37Å; L28-Y31 PolarHBondContact O-N 3.5Å; L28-I32 HydrophobicContact CD2-CD1 3.41Å; L28-I32 VanDerWaalsContact CD2-CD1 3.41Å; L28-I32 HydrophobicContact CD2-CG1 4.31Å; L28-I32 HydrophobicContact CG-CD1 4.13Å; L28-I32 WeakPolarHBondContact O-CG1 2.99Å; L28-I32 PolarHBondContact O-N 3.34Å |
| 29 | A | 92 | Very high | 88.2 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V25 V26 A27 I32 Y33 | V25-A29 PolarHBondContact O-N 3.11Å; V26-A29 PolarHBondContact O-N 2.78Å; A27-A29 PolarHBondContact O-N 2.99Å; A29-I32 PolarHBondContact O-N 3.25Å; A29-Y33 PolarHBondContact O-N 3.46Å |
| 30 | V | 90 | Very high | 88 | Confident | 25 Ų | 25 | 78.6 Ų | 78.6 | 15% | 0.152 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | V26 A27 L28 Y33 F34 L113 | V26-V30 WeakPolarHBondContact O-CG2 3.13Å; V26-V30 PolarHBondContact O-N 3.3Å; V26-V30 VanDerWaalsContact O-N 3.13Å; A27-V30 PolarHBondContact O-N 3.35Å; L28-V30 PolarHBondContact O-N 3.37Å; V30-Y33 WeakPolarHBondContact O-CB 3.28Å; V30-Y33 PolarHBondContact O-N 3.41Å; V30-F34 HydrophobicContact CG1-CD2 3.68Å; V30-F34 HydrophobicContact CG1-CE2 3.41Å; V30-F34 VanDerWaalsContact CG1-CE2 3.41Å; V30-F34 WeakPolarHBondContact O-CD2 3.26Å; V30-F34 PolarHBondContact O-N 2.95Å; V30-L113 HydrophobicContact CB-CD2 4.38Å; V30-L113 HydrophobicContact CG1-CD2 4.11Å |
| 31 | Y | 90.9 | Very high | 87.3 | Confident | 140 Ų | 140 | 81 Ų | 81 | 55% | 0.549 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | 177.6 | -65.5 | -31.6 | 0 | 0 | 0 | 113.5 | A27 L28 F34 A35 L113 | A27-Y31 HydrophobicContact CB-CE2 4.3Å; A27-Y31 VanDerWaalsContact O-CD2 3.26Å; A27-Y31 WeakPolarHBondContact O-CD2 3.44Å; A27-Y31 VanDerWaalsContact O-CG 3.3Å; A27-Y31 PolarHBondContact O-N 3.13Å; L28-Y31 PolarHBondContact O-N 3.5Å; Y31-F34 PolarHBondContact O-N 3.38Å; Y31-A35 WeakPolarHBondContact O-CB 3.38Å; Y31-A35 PolarHBondContact O-N 3.07Å; Y31-L113 HydrophobicContact CE1-CD2 4.39Å |
| 32 | I | 91.5 | Very high | 86.7 | Confident | 97 Ų | 97 | 82.4 Ų | 82.4 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 173.3 | -70.3 | 174.6 | 0 | 0 | 0 | 110.5 | L28 A29 F34 A35 V36 | L28-I32 HydrophobicContact CD2-CD1 3.41Å; L28-I32 VanDerWaalsContact CD2-CD1 3.41Å; L28-I32 HydrophobicContact CD2-CG1 4.31Å; L28-I32 HydrophobicContact CG-CD1 4.13Å; L28-I32 WeakPolarHBondContact O-CG1 2.99Å; L28-I32 PolarHBondContact O-N 3.34Å; A29-I32 PolarHBondContact O-N 3.25Å; I32-F34 VanDerWaalsContact C-N 3.26Å; I32-F34 PolarHBondContact O-N 2.98Å; I32-A35 PolarHBondContact O-N 3Å; I32-V36 WeakPolarHBondContact O-CG2 3.35Å; I32-V36 PolarHBondContact O-N 3.42Å |
| 33 | Y | 89.2 | Confident | 85.5 | Confident | 92 Ų | 92 | 82.7 Ų | 82.7 | 36% | 0.361 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -54.8 | -46.5 | 174.4 | 174 | -97 | 0 | 0 | 0 | 110.6 | A29 V30 V36 T37 Y109 | A29-Y33 PolarHBondContact O-N 3.46Å; V30-Y33 WeakPolarHBondContact O-CB 3.28Å; V30-Y33 PolarHBondContact O-N 3.41Å; Y33-V36 PolarHBondContact O-N 3.44Å; Y33-T37 HydrophobicContact CD1-CG2 4.14Å; Y33-T37 HydrophobicContact CD2-CG2 4.43Å; Y33-T37 HydrophobicContact CE1-CG2 3.7Å; Y33-T37 HydrophobicContact CE2-CG2 4.03Å; Y33-T37 HydrophobicContact CG-CG2 4.49Å; Y33-T37 WeakPolarHBondContact O-CG2 3.48Å; Y33-T37 PolarHBondContact O-N 2.93Å; Y33-T37 PolarHBondContact O-OG1 3.37Å; Y33-Y109 HydrophobicContact CD1-CD2 4.2Å; Y33-Y109 HydrophobicContact CD1-CE2 4.4Å; Y33-Y109 AromaticContact CE1-CD2 3.53Å; Y33-Y109 HydrophobicContact CE1-CD2 3.53Å; Y33-Y109 AromaticContact CE1-CE2 3.51Å; Y33-Y109 HydrophobicContact CE1-CE2 3.51Å; Y33-Y109 HydrophobicContact CE1-CG 4.37Å; Y33-Y109 AromaticContact CZ-CE2 3.62Å; Y33-Y109 WeakPolarHBondContact OH-CE2 3.35Å |
| 34 | F | 86.7 | Confident | 84.4 | Confident | 13 Ų | 13 | 86.1 Ų | 86.1 | 6% | 0.057 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.6 | -76.7 | -56.5 | 0 | 0 | 0 | 114.2 | V30 Y31 I32 V36 T37 I38 F106 Y109 N110 | V30-F34 HydrophobicContact CG1-CD2 3.68Å; V30-F34 HydrophobicContact CG1-CE2 3.41Å; V30-F34 VanDerWaalsContact CG1-CE2 3.41Å; V30-F34 WeakPolarHBondContact O-CD2 3.26Å; V30-F34 PolarHBondContact O-N 2.95Å; Y31-F34 PolarHBondContact O-N 3.38Å; I32-F34 VanDerWaalsContact C-N 3.26Å; I32-F34 PolarHBondContact O-N 2.98Å; F34-V36 VanDerWaalsContact C-N 3.28Å; F34-V36 PolarHBondContact O-N 2.88Å; F34-T37 VanDerWaalsContact CA-OG1 3.32Å; F34-T37 WeakPolarHBondContact CA-OG1 3.43Å; F34-T37 PolarHBondContact O-N 3.48Å; F34-T37 VanDerWaalsContact O-N 3.17Å; F34-T37 PolarHBondContact O-OG1 2.9Å; F34-I38 VanDerWaalsContact O-CG1 3.28Å; F34-I38 WeakPolarHBondContact O-CG1 3.32Å; F34-I38 PolarHBondContact O-N 3.13Å; F34-F106 AromaticContact CD1-CD2 3.75Å; F34-F106 HydrophobicContact CD1-CD2 3.75Å; F34-F106 HydrophobicContact CD1-CE2 4.49Å; F34-F106 VanDerWaalsContact CE1-CA 3.49Å; F34-F106 HydrophobicContact CE1-CB 3.82Å; F34-F106 AromaticContact CE1-CD2 3.51Å; F34-F106 HydrophobicContact CE1-CD2 3.51Å; F34-F106 HydrophobicContact CE1-CE2 4.47Å; F34-F106 HydrophobicContact CE1-CG 4.04Å; F34-F106 HydrophobicContact CE2-CD2 4.35Å; F34-F106 HydrophobicContact CG-CD2 4.29Å; F34-F106 HydrophobicContact CZ-CB 4.25Å; F34-F106 AromaticContact CZ-CD2 3.79Å; F34-F106 HydrophobicContact CZ-CD2 3.79Å; F34-F106 HydrophobicContact CZ-CG 4.24Å; F34-Y109 HydrophobicContact CZ-CD2 4.42Å; F34-Y109 HydrophobicContact CZ-CG 4.44Å; F34-N110 WeakPolarHBondContact CE2-ND2 3.28Å; F34-N110 WeakPolarHBondContact CZ-ND2 3.28Å |
| 35 | A | 86.7 | Confident | 82.9 | Confident | 46 Ų | 46 | 86.3 Ų | 86.3 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -55.5 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y31 I32 I38 F39 | Y31-A35 WeakPolarHBondContact O-CB 3.38Å; Y31-A35 PolarHBondContact O-N 3.07Å; I32-A35 PolarHBondContact O-N 3Å; A35-I38 PolarHBondContact O-N 3.03Å; A35-F39 WeakPolarHBondContact O-CD2 3.29Å; A35-F39 PolarHBondContact O-N 2.95Å |
| 36 | V | 88.2 | Confident | 81.4 | Confident | 96 Ų | 96 | 85.2 Ų | 85.2 | 58% | 0.582 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 177 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | I32 Y33 F34 I38 F39 G40 | I32-V36 WeakPolarHBondContact O-CG2 3.35Å; I32-V36 PolarHBondContact O-N 3.42Å; Y33-V36 PolarHBondContact O-N 3.44Å; F34-V36 VanDerWaalsContact C-N 3.28Å; F34-V36 PolarHBondContact O-N 2.88Å; V36-I38 PolarHBondContact O-N 3.41Å; V36-F39 PolarHBondContact O-N 2.92Å; V36-G40 PolarHBondContact O-N 3.3Å |
| 37 | T | 84.2 | Confident | 79.7 | Confident | 31 Ų | 31 | 86.3 Ų | 86.3 | 19% | 0.19 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66 | -36.6 | 178.3 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | Y33 F34 F39 G40 H41 | Y33-T37 HydrophobicContact CD1-CG2 4.14Å; Y33-T37 HydrophobicContact CD2-CG2 4.43Å; Y33-T37 HydrophobicContact CE1-CG2 3.7Å; Y33-T37 HydrophobicContact CE2-CG2 4.03Å; Y33-T37 HydrophobicContact CG-CG2 4.49Å; Y33-T37 WeakPolarHBondContact O-CG2 3.48Å; Y33-T37 PolarHBondContact O-N 2.93Å; Y33-T37 PolarHBondContact O-OG1 3.37Å; F34-T37 VanDerWaalsContact CA-OG1 3.32Å; F34-T37 WeakPolarHBondContact CA-OG1 3.43Å; F34-T37 PolarHBondContact O-N 3.48Å; F34-T37 VanDerWaalsContact O-N 3.17Å; F34-T37 PolarHBondContact O-OG1 2.9Å; T37-F39 PolarHBondContact O-N 2.86Å; T37-G40 PolarHBondContact O-N 3.06Å; T37-H41 VanDerWaalsContact O-CB 3.3Å; T37-H41 WeakPolarHBondContact O-CB 2.99Å; T37-H41 PolarHBondContact O-N 3.41Å |
| 38 | I | 81.6 | Confident | 78.2 | Confident | 106 Ų | 106 | 89.5 Ų | 89.5 | 54% | 0.544 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 178.5 | -70.4 | 164.8 | 0 | 0 | 0 | 110.6 | F34 A35 V36 Q42 | F34-I38 VanDerWaalsContact O-CG1 3.28Å; F34-I38 WeakPolarHBondContact O-CG1 3.32Å; F34-I38 PolarHBondContact O-N 3.13Å; A35-I38 PolarHBondContact O-N 3.03Å; V36-I38 PolarHBondContact O-N 3.41Å; I38-Q42 WeakPolarHBondContact O-CG 3.21Å; I38-Q42 PolarHBondContact O-NE2 2.77Å |
| 39 | F | 80.6 | Confident | 76.3 | Confident | 156 Ų | 156 | 89.6 Ų | 89.6 | 68% | 0.684 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -75.3 | -37.2 | 175.8 | -72.7 | -67.7 | 0 | 0 | 0 | 112.6 | A35 V36 T37 | A35-F39 WeakPolarHBondContact O-CD2 3.29Å; A35-F39 PolarHBondContact O-N 2.95Å; V36-F39 PolarHBondContact O-N 2.92Å; T37-F39 PolarHBondContact O-N 2.86Å |
| 40 | G | 79.6 | Confident | 74.5 | Confident | 63 Ų | 63 | 93 Ų | 93 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75.8 | -26.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V36 T37 | V36-G40 PolarHBondContact O-N 3.3Å; T37-G40 PolarHBondContact O-N 3.06Å |
| 41 | H | 70.5 | Confident | 72.8 | Confident | 95 Ų | 95 | 95.9 Ų | 95.9 | 44% | 0.44 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 10.4 | 179.8 | -98.7 | -86.7 | 0 | 0 | 0 | 114.4 | T37 F43 T102 | T37-H41 VanDerWaalsContact O-CB 3.3Å; T37-H41 WeakPolarHBondContact O-CB 2.99Å; T37-H41 PolarHBondContact O-N 3.41Å; H41-F43 PolarHBondContact O-N 3.43Å; H41-T102 HydrophobicContact CB-CG2 3.62Å; H41-T102 VanDerWaalsContact CD2-CG2 3.48Å; H41-T102 WeakPolarHBondContact CD2-CG2 3.47Å; H41-T102 VanDerWaalsContact ND1-CG2 3.28Å; H41-T102 WeakPolarHBondContact ND1-CG2 3.23Å |
| 42 | Q | 76.7 | Confident | 70.9 | Confident | 112 Ų | 112 | 97 Ų | 97 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -60.4 | 123.4 | 163.4 | -80.2 | 168.6 | 37.1 | 0 | 0 | 108 | I38 I44 | I38-Q42 WeakPolarHBondContact O-CG 3.21Å; I38-Q42 PolarHBondContact O-NE2 2.77Å; Q42-I44 VanDerWaalsContact C-N 3.32Å; Q42-I44 PolarHBondContact O-N 3.29Å |
| 43 | F | 63.4 | Low | 69 | Low | 121 Ų | 121 | 99.9 Ų | 99.9 | 53% | 0.531 | 55% | 0.547 | S | S | . | . | trans | -61.8 | 99 | 172.8 | -68.2 | -79.1 | 0 | 0 | 0 | 107.3 | H41 D45 P96 P99 | H41-F43 PolarHBondContact O-N 3.43Å; F43-D45 PolarHBondContact O-N 3.1Å; F43-P96 WeakPolarHBondContact CE2-O 3.42Å; F43-P96 WeakPolarHBondContact CZ-O 3.43Å; F43-P99 HydrophobicContact CE2-CB 4.11Å; F43-P99 HydrophobicContact CZ-CB 4.27Å | ||
| 44 | I | 64.7 | Low | 67.1 | Low | 135 Ų | 135 | 99.5 Ų | 99.5 | 69% | 0.692 | 56% | 0.558 | S | S | * | * | trans | -63.3 | 120.6 | 169.8 | -62 | 168.5 | 0 | 0 | 0 | 105.3 | Q42 A46 I49 | Q42-I44 VanDerWaalsContact C-N 3.32Å; Q42-I44 PolarHBondContact O-N 3.29Å; I44-A46 PolarHBondContact O-N 2.82Å; I44-I49 HydrophobicContact CG2-CD1 3.87Å | ||
| 45 | D | 59.8 | Low | 65.3 | Low | 126 Ų | 126 | 103.8 Ų | 103.8 | 67% | 0.674 | 59% | 0.586 | S | S | * | * | trans | -51.6 | 102.7 | 175.5 | -80.7 | -30.4 | 0 | 0 | 0 | 109.5 | F43 P47 | F43-D45 PolarHBondContact O-N 3.1Å; D45-P47 VanDerWaalsContact C-N 3.3Å; D45-P47 HydrophobicContact CB-CG 4.5Å | ||
| 46 | A | 60.3 | Low | 63.3 | Low | 68 Ų | 68 | 112.1 Ų | 112.1 | 56% | 0.562 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -59.6 | -23.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | I44 S48 | I44-A46 PolarHBondContact O-N 2.82Å; A46-S48 VanDerWaalsContact C-N 3.31Å; A46-S48 PolarHBondContact O-N 3.44Å |
| 47 | P | 56.9 | Low | 61.4 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 70% | 0.695 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -74.9 | -8.3 | -172.9 | 26.8 | -34.3 | 0 | 0 | 0 | 115.9 | D45 | D45-P47 VanDerWaalsContact C-N 3.3Å; D45-P47 HydrophobicContact CB-CG 4.5Å |
| 48 | S | 56.4 | Low | 59.5 | Low | 91 Ų | 91 | 118.8 Ų | 118.8 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -94.1 | -16.5 | 179 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | A46 | A46-S48 VanDerWaalsContact C-N 3.31Å; A46-S48 PolarHBondContact O-N 3.44Å |
| 49 | I | 52.9 | Low | 57.7 | Low | 107 Ų | 107 | 118.5 Ų | 118.5 | 55% | 0.549 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.2 | -20.4 | -170.9 | -35.5 | 177.7 | 0 | 0 | 0 | 112.1 | I44 | I44-I49 HydrophobicContact CG2-CD1 3.87Š|
| 50 | L | 54.1 | Low | 56 | Low | 127 Ų | 127 | 115.3 Ų | 115.3 | 67% | 0.665 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -72.1 | -30 | 179.3 | -129.4 | 87.1 | 0 | 0 | 0 | 116.6 | H52 | L50-H52 VanDerWaalsContact C-N 3.31Å; L50-H52 PolarHBondContact O-N 2.97Å |
| 51 | P | 54.1 | Low | 54 | Low | 85 Ų | 85 | 120.6 Ų | 120.6 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -76.9 | -14.8 | -178.4 | 26.7 | -29.7 | 0 | 0 | 0 | 114 | T55 | P51-T55 PolarHBondContact O-OG1 3.23Š|
| 52 | H | 51.5 | Low | 52.6 | Low | 163 Ų | 163 | 122.8 Ų | 122.8 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -93.3 | -7.1 | -177.7 | -139.9 | -74.4 | 0 | 0 | 0 | 114.5 | L50 | L50-H52 VanDerWaalsContact C-N 3.31Å; L50-H52 PolarHBondContact O-N 2.97Å |
| 53 | M | 50.2 | Low | 50.9 | Low | 157 Ų | 157 | 123.7 Ų | 123.7 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -26.1 | 175.4 | -157.4 | 159.4 | -158.9 | 0 | 0 | 113.2 | T55 R56 | M53-T55 VanDerWaalsContact C-N 3.29Å; M53-T55 PolarHBondContact O-N 3.46Å; M53-R56 PolarHBondContact O-N 3.32Å |
| 54 | S | 49.8 | Very low | 49.8 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -73 | -16.3 | 174.7 | -80.8 | 0 | 0 | 0 | 0 | 114.3 | R56 | S54-R56 VanDerWaalsContact C-N 3.33Š|
| 55 | T | 48.7 | Very low | 48.8 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 63% | 0.632 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -83.1 | -4.6 | 177.2 | 23.6 | 0 | 0 | 0 | 0 | 114.1 | P51 M53 | P51-T55 PolarHBondContact O-OG1 3.23Å; M53-T55 VanDerWaalsContact C-N 3.29Å; M53-T55 PolarHBondContact O-N 3.46Å |
| 56 | R | 44.5 | Very low | 48 | Very low | 222 Ų | 222 | 122.6 Ų | 122.6 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -100.7 | 2.2 | 178.6 | -109.7 | -172.9 | -175.3 | -148.6 | 2.2 | 115.7 | M53 S54 | M53-R56 PolarHBondContact O-N 3.32Å; S54-R56 VanDerWaalsContact C-N 3.33Å |
| 57 | V | 49.4 | Very low | 47.3 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -105.8 | -4.9 | -179.2 | -169.7 | 0 | 0 | 0 | 0 | 113.1 | S59 | V57-S59 VanDerWaalsContact C-N 3.28Å; V57-S59 PolarHBondContact O-N 3.42Å |
| 58 | N | 43.7 | Very low | 46.7 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -87.4 | 19.7 | 176.8 | -74.8 | -8.7 | 0 | 0 | 0 | 114.6 | ||
| 59 | S | 43.6 | Very low | 46.3 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -145.3 | 59.9 | 179.6 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | V57 | V57-S59 VanDerWaalsContact C-N 3.28Å; V57-S59 PolarHBondContact O-N 3.42Å |
| 60 | S | 44.9 | Very low | 45.6 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | trans | -152.2 | 106.8 | 151.2 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | L62 | S60-L62 VanDerWaalsContact C-N 3.3Å; S60-L62 PolarHBondContact O-N 3.37Å | ||
| 61 | N | 37.3 | Very low | 44.9 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -53.8 | 92.1 | 158.5 | -77.9 | -45 | 0 | 0 | 0 | 109.2 | ||||
| 62 | L | 41.5 | Very low | 43.9 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -142.1 | 127 | 160.4 | -87.3 | 106.4 | 0 | 0 | 0 | 108 | S60 | S60-L62 VanDerWaalsContact C-N 3.3Å; S60-L62 PolarHBondContact O-N 3.37Å | ||
| 63 | T | 42.3 | Very low | 43.4 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 95.6 | 54.9 | -176.6 | 72.7 | 0 | 0 | 0 | 0 | 116.7 | V65 | T63-V65 PolarHBondContact O-N 3.13Š| ||
| 64 | S | 38.9 | Very low | 42.9 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -62.7 | 90.8 | 138.3 | 157.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 65 | V | 43.7 | Very low | 42.7 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | -121.5 | 89.8 | 160.8 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | T63 N67 | T63-V65 PolarHBondContact O-N 3.13Å; V65-N67 PolarHBondContact O-N 3.03Å | ||
| 66 | N | 43.3 | Very low | 42.4 | Very low | 120 Ų | 120 | 140 Ų | 140 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | trans | -47 | 118.7 | 147.9 | 175.2 | 17.8 | 0 | 0 | 0 | 108.2 | ||||
| 67 | N | 46.3 | Very low | 42.3 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -170.6 | 113.3 | 137.2 | -88.5 | -21.5 | 0 | 0 | 0 | 109.3 | V65 N69 | V65-N67 PolarHBondContact O-N 3.03Å; N67-N69 PolarHBondContact O-N 3Å | ||
| 68 | N | 43.3 | Very low | 42.1 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -44.9 | 119.1 | 158.9 | -50.9 | -33.5 | 0 | 0 | 0 | 108.5 | ||||
| 69 | N | 49 | Very low | 42 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | 179.6 | 124.1 | 140.8 | -82.4 | -22.1 | 0 | 0 | 0 | 108 | N67 F71 | N67-N69 PolarHBondContact O-N 3Å; N69-F71 PolarHBondContact O-N 3.36Å | ||
| 70 | N | 37 | Very low | 41.9 | Very low | 165 Ų | 165 | 136 Ų | 136 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -51.6 | 105.8 | 178.7 | -55.8 | -39.5 | 0 | 0 | 0 | 110.8 | ||||
| 71 | F | 39.1 | Very low | 41.7 | Very low | 200 Ų | 200 | 139.1 Ų | 139.1 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -149.9 | 120.8 | 153.1 | -132 | -91.7 | 0 | 0 | 0 | 109.4 | N69 S73 | N69-F71 PolarHBondContact O-N 3.36Å; F71-S73 PolarHBondContact O-N 2.99Å | ||
| 72 | S | 34 | Very low | 41.8 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -55 | 109.1 | -169.2 | -48.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 73 | S | 40.2 | Very low | 41.9 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -108.4 | 84.3 | 163.5 | 60 | 0 | 0 | 0 | 0 | 108.8 | F71 | F71-S73 PolarHBondContact O-N 2.99Š| ||
| 74 | S | 40.6 | Very low | 42 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -119.6 | 64.3 | 177.6 | 62.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 75 | I | 46.6 | Very low | 42.1 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -136.9 | 63.3 | 166.3 | -51.7 | -176.6 | 0 | 0 | 0 | 108.3 | ||
| 76 | L | 41.6 | Very low | 42 | Very low | 153 Ų | 153 | 140 Ų | 140 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 176.4 | 112.7 | 152.1 | -128.6 | 64.6 | 0 | 0 | 0 | 105.2 | ||
| 77 | N | 41.2 | Very low | 41.6 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | 149.3 | 125.9 | 145.6 | -70.9 | -21 | 0 | 0 | 0 | 110 | ||||
| 78 | N | 45.4 | Very low | 41.6 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 89.3 | 109.3 | 153.3 | -135 | 19.2 | 0 | 0 | 0 | 117.6 | ||||
| 79 | P | 42.2 | Very low | 41.6 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -91.3 | 102.3 | 167.5 | 33.9 | -23.3 | 0 | 0 | 0 | 108.8 | ||||
| 80 | A | 41.4 | Very low | 41.3 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 61% | 0.612 | 80% | 0.801 | S | S | * | * | trans | -163.3 | 116.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 81 | N | 41 | Very low | 41.9 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | 66.8 | 81.6 | 162.3 | -56.1 | -13.4 | 0 | 0 | 0 | 116.7 | ||||
| 82 | D | 40.4 | Very low | 42.6 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -134.9 | 98.3 | 145.6 | -88.4 | -31.4 | 0 | 0 | 0 | 108.8 | ||||
| 83 | T | 43.1 | Very low | 43.5 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -75.3 | 139.2 | 155.8 | 43.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 84 | N | 43.7 | Very low | 44.4 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 101.4 | 112.1 | 166.6 | -58.1 | -33 | 0 | 0 | 0 | 117.8 | ||
| 85 | V | 42.2 | Very low | 45.2 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 75.8 | 89.6 | 141.2 | -171.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 86 | T | 41.2 | Very low | 46 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | trans | -153.4 | 118.7 | 130.5 | -9 | 0 | 0 | 0 | 0 | 109.2 | G88 | T86-G88 PolarHBondContact O-N 3.27Š| ||
| 87 | N | 34.5 | Very low | 47.2 | Very low | 175 Ų | 175 | 136 Ų | 136 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | trans | -66.1 | 73 | 167 | -63.5 | -25.7 | 0 | 0 | 0 | 108.5 | ||||
| 88 | G | 46.1 | Very low | 48.7 | Very low | 54 Ų | 54 | 132.6 Ų | 132.6 | 56% | 0.557 | 75% | 0.745 | S | S | * | * | trans | -101.4 | 126.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | T86 S90 | T86-G88 PolarHBondContact O-N 3.27Å; G88-S90 VanDerWaalsContact C-N 3.32Å; G88-S90 PolarHBondContact O-N 3.45Å | ||
| 89 | I | 43.1 | Very low | 50.1 | Low | 169 Ų | 169 | 127.4 Ų | 127.4 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | trans | -55.3 | 98 | 179.2 | -48.2 | 165.2 | 0 | 0 | 0 | 107.2 | F91 | I89-F91 PolarHBondContact O-N 2.86Š| ||
| 90 | S | 43.4 | Very low | 51.9 | Low | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | trans | -68.8 | 106.6 | 178.8 | 53.5 | 0 | 0 | 0 | 0 | 106.7 | G88 | G88-S90 VanDerWaalsContact C-N 3.32Å; G88-S90 PolarHBondContact O-N 3.45Å | ||
| 91 | F | 49.6 | Very low | 53.7 | Low | 192 Ų | 192 | 129.3 Ų | 129.3 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | trans | -47.2 | 127.1 | 162.9 | -69.3 | -77 | 0 | 0 | 0 | 107.2 | I89 R93 | I89-F91 PolarHBondContact O-N 2.86Å; F91-R93 PolarHBondContact O-N 3.27Å | ||
| 92 | P | 53.5 | Low | 55.7 | Low | 107 Ų | 107 | 123.3 Ų | 123.3 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | trans | -57.9 | 115.2 | -177.5 | 22.8 | -31.4 | 0 | 0 | 0 | 106.9 | V94 | P92-V94 PolarHBondContact O-N 2.88Š| ||
| 93 | R | 51.9 | Low | 57.8 | Low | 242 Ų | 242 | 118.8 Ų | 118.8 | 91% | 0.913 | 65% | 0.653 | S | S | * | * | trans | -59.7 | 93.2 | 165.6 | 173.1 | 174.5 | -92.2 | -145 | -4.7 | 105.1 | F91 L95 | F91-R93 PolarHBondContact O-N 3.27Å; R93-L95 PolarHBondContact O-N 2.97Å | ||
| 94 | V | 61 | Low | 59.8 | Low | 108 Ų | 108 | 116.9 Ų | 116.9 | 66% | 0.655 | 64% | 0.638 | S | S | * | * | trans | -51.3 | 134.5 | -176.7 | -69.9 | 0 | 0 | 0 | 0 | 109 | P92 P96 | P92-V94 PolarHBondContact O-N 2.88Å; V94-P96 WeakPolarHBondContact O-CD 3.29Å; V94-P96 VanDerWaalsContact O-N 3.09Å | ||
| 95 | L | 57.1 | Low | 61.8 | Low | 115 Ų | 115 | 111 Ų | 111 | 60% | 0.602 | 61% | 0.608 | S | S | * | * | trans | -49.4 | 117.3 | -176.1 | -78.6 | 72.2 | 0 | 0 | 0 | 109.1 | R93 N97 I98 | R93-L95 PolarHBondContact O-N 2.97Å; L95-N97 PolarHBondContact O-N 3.46Å; L95-I98 HydrophobicContact CD2-CD1 4.45Å; L95-I98 PolarHBondContact O-N 3.21Å | ||
| 96 | P | 63.1 | Low | 64 | Low | 91 Ų | 91 | 109.9 Ų | 109.9 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -6.5 | -171.9 | 20.9 | -29 | 0 | 0 | 0 | 114.1 | F43 V94 | F43-P96 WeakPolarHBondContact CE2-O 3.42Å; F43-P96 WeakPolarHBondContact CZ-O 3.43Å; V94-P96 WeakPolarHBondContact O-CD 3.29Å; V94-P96 VanDerWaalsContact O-N 3.09Å |
| 97 | N | 65.6 | Low | 66.2 | Low | 136 Ų | 136 | 108 Ų | 108 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -13.5 | -169.2 | -60.2 | 23.8 | 0 | 0 | 0 | 112.9 | L95 | L95-N97 PolarHBondContact O-N 3.46Š|
| 98 | I | 72.4 | Confident | 68.8 | Low | 85 Ų | 85 | 106.2 Ų | 106.2 | 44% | 0.436 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -122.9 | 115.4 | -177.8 | -57.6 | 174.6 | 0 | 0 | 0 | 107.9 | L95 V100 I103 | L95-I98 HydrophobicContact CD2-CD1 4.45Å; L95-I98 PolarHBondContact O-N 3.21Å; I98-V100 HydrophobicContact CG2-CG2 4.17Å; I98-V100 PolarHBondContact O-N 3.48Å; I98-I103 HydrophobicContact CG2-CD1 3.61Å |
| 99 | P | 76.4 | Confident | 70.8 | Confident | 41 Ų | 41 | 108.9 Ų | 108.9 | 27% | 0.266 | 56% | 0.555 | S | S | . | * | trans | -77.8 | 75.6 | 178.9 | 34.9 | -36.6 | 0 | 0 | 0 | 109.8 | F43 F101 T102 I103 | F43-P99 HydrophobicContact CE2-CB 4.11Å; F43-P99 HydrophobicContact CZ-CB 4.27Å; P99-F101 PolarHBondContact O-N 2.96Å; P99-F101 VanDerWaalsContact O-N 3.17Å; P99-T102 HydrophobicContact CB-CG2 3.89Å; P99-T102 WeakPolarHBondContact CB-OG1 3.37Å; P99-T102 VanDerWaalsContact CG-OG1 3.22Å; P99-T102 WeakPolarHBondContact CG-OG1 2.95Å; P99-T102 PolarHBondContact O-N 3.41Å; P99-T102 PolarHBondContact O-OG1 3.15Å; P99-I103 WeakPolarHBondContact O-CG1 3.22Å; P99-I103 PolarHBondContact O-N 3.28Å | ||
| 100 | V | 79.5 | Confident | 72.9 | Confident | 91 Ų | 91 | 102.3 Ų | 102.3 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -53.7 | -40 | -176.3 | 177.4 | 0 | 0 | 0 | 0 | 111.8 | I98 T102 I103 L104 | I98-V100 HydrophobicContact CG2-CG2 4.17Å; I98-V100 PolarHBondContact O-N 3.48Å; V100-T102 PolarHBondContact O-N 3.45Å; V100-I103 PolarHBondContact O-N 3.27Å; V100-L104 WeakPolarHBondContact O-CB 3.4Å; V100-L104 PolarHBondContact O-N 2.99Å |
| 101 | F | 79.8 | Confident | 75.1 | Confident | 147 Ų | 147 | 98.9 Ų | 98.9 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.2 | -31.9 | 179.5 | -171.5 | -100.1 | 0 | 0 | 0 | 113.3 | P99 S105 | P99-F101 PolarHBondContact O-N 2.96Å; P99-F101 VanDerWaalsContact O-N 3.17Å; F101-S105 WeakPolarHBondContact O-CB 3.44Å; F101-S105 PolarHBondContact O-N 3.39Å; F101-S105 PolarHBondContact O-OG 2.89Å |
| 102 | T | 81.6 | Confident | 77.1 | Confident | 30 Ų | 30 | 99.5 Ų | 99.5 | 18% | 0.184 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -76 | -36.9 | 176.5 | 69 | 0 | 0 | 0 | 0 | 111.2 | H41 P99 V100 L104 S105 F106 | H41-T102 HydrophobicContact CB-CG2 3.62Å; H41-T102 VanDerWaalsContact CD2-CG2 3.48Å; H41-T102 WeakPolarHBondContact CD2-CG2 3.47Å; H41-T102 VanDerWaalsContact ND1-CG2 3.28Å; H41-T102 WeakPolarHBondContact ND1-CG2 3.23Å; P99-T102 HydrophobicContact CB-CG2 3.89Å; P99-T102 WeakPolarHBondContact CB-OG1 3.37Å; P99-T102 VanDerWaalsContact CG-OG1 3.22Å; P99-T102 WeakPolarHBondContact CG-OG1 2.95Å; P99-T102 PolarHBondContact O-N 3.41Å; P99-T102 PolarHBondContact O-OG1 3.15Å; V100-T102 PolarHBondContact O-N 3.45Å; T102-L104 VanDerWaalsContact C-N 3.35Å; T102-S105 PolarHBondContact O-N 3.38Å; T102-F106 VanDerWaalsContact O-CB 3.27Å; T102-F106 WeakPolarHBondContact O-CB 3.42Å; T102-F106 PolarHBondContact O-N 3.39Å |
| 103 | I | 84.6 | Confident | 78.8 | Confident | 78 Ų | 78 | 96 Ų | 96 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 173.4 | -63.3 | 167.7 | 0 | 0 | 0 | 109.7 | I98 P99 V100 F106 I107 | I98-I103 HydrophobicContact CG2-CD1 3.61Å; P99-I103 WeakPolarHBondContact O-CG1 3.22Å; P99-I103 PolarHBondContact O-N 3.28Å; V100-I103 PolarHBondContact O-N 3.27Å; I103-F106 WeakPolarHBondContact O-CA 3.49Å; I103-F106 WeakPolarHBondContact O-CB 3.28Å; I103-F106 PolarHBondContact O-N 3.08Å; I103-F106 VanDerWaalsContact O-N 3.13Å; I103-I107 HydrophobicContact CG2-CD1 4.12Å; I103-I107 WeakPolarHBondContact O-CG1 3.41Å; I103-I107 PolarHBondContact O-N 3.03Å |
| 104 | L | 86.4 | Confident | 80.4 | Confident | 81 Ų | 81 | 90.5 Ų | 90.5 | 42% | 0.424 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 176.2 | -176.2 | 63.4 | 0 | 0 | 0 | 111.6 | V100 T102 F106 I107 F108 | V100-L104 WeakPolarHBondContact O-CB 3.4Å; V100-L104 PolarHBondContact O-N 2.99Å; T102-L104 VanDerWaalsContact C-N 3.35Å; L104-F106 VanDerWaalsContact C-N 3.25Å; L104-F106 PolarHBondContact O-N 3.33Å; L104-I107 PolarHBondContact O-N 3.01Å; L104-F108 HydrophobicContact CD1-CD2 4.15Å; L104-F108 HydrophobicContact CD1-CE2 3.54Å; L104-F108 HydrophobicContact CD1-CZ 4.12Å; L104-F108 HydrophobicContact CD2-CE2 4.12Å; L104-F108 HydrophobicContact CG-CD2 3.98Å; L104-F108 HydrophobicContact CG-CE2 3.55Å; L104-F108 WeakPolarHBondContact O-CD2 3.42Å; L104-F108 PolarHBondContact O-N 2.9Å; L104-F108 VanDerWaalsContact O-N 3.08Å |
| 105 | S | 86.1 | Confident | 81.7 | Confident | 21 Ų | 21 | 89.3 Ų | 89.3 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.5 | -38.5 | 173.2 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | F101 T102 F108 Y109 | F101-S105 WeakPolarHBondContact O-CB 3.44Å; F101-S105 PolarHBondContact O-N 3.39Å; F101-S105 PolarHBondContact O-OG 2.89Å; T102-S105 PolarHBondContact O-N 3.38Å; S105-F108 PolarHBondContact O-N 3.4Å; S105-Y109 WeakPolarHBondContact O-CD2 3.36Å; S105-Y109 PolarHBondContact O-N 3.42Å; S105-Y109 VanDerWaalsContact O-N 3.11Å |
| 106 | F | 86.9 | Confident | 83.1 | Confident | 103 Ų | 103 | 86.2 Ų | 86.2 | 45% | 0.452 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 176.8 | 178.3 | -86.9 | 0 | 0 | 0 | 112.4 | F34 T102 I103 L104 F108 N110 | F34-F106 AromaticContact CD1-CD2 3.75Å; F34-F106 HydrophobicContact CD1-CD2 3.75Å; F34-F106 HydrophobicContact CD1-CE2 4.49Å; F34-F106 VanDerWaalsContact CE1-CA 3.49Å; F34-F106 HydrophobicContact CE1-CB 3.82Å; F34-F106 AromaticContact CE1-CD2 3.51Å; F34-F106 HydrophobicContact CE1-CD2 3.51Å; F34-F106 HydrophobicContact CE1-CE2 4.47Å; F34-F106 HydrophobicContact CE1-CG 4.04Å; F34-F106 HydrophobicContact CE2-CD2 4.35Å; F34-F106 HydrophobicContact CG-CD2 4.29Å; F34-F106 HydrophobicContact CZ-CB 4.25Å; F34-F106 AromaticContact CZ-CD2 3.79Å; F34-F106 HydrophobicContact CZ-CD2 3.79Å; F34-F106 HydrophobicContact CZ-CG 4.24Å; T102-F106 VanDerWaalsContact O-CB 3.27Å; T102-F106 WeakPolarHBondContact O-CB 3.42Å; T102-F106 PolarHBondContact O-N 3.39Å; I103-F106 WeakPolarHBondContact O-CA 3.49Å; I103-F106 WeakPolarHBondContact O-CB 3.28Å; I103-F106 PolarHBondContact O-N 3.08Å; I103-F106 VanDerWaalsContact O-N 3.13Å; L104-F106 VanDerWaalsContact C-N 3.25Å; L104-F106 PolarHBondContact O-N 3.33Å; F106-F108 VanDerWaalsContact C-N 3.34Å; F106-F108 PolarHBondContact O-N 2.89Å; F106-N110 WeakPolarHBondContact CD2-ND2 3.49Å; F106-N110 HydrophobicContact CE1-CB 4.44Å; F106-N110 WeakPolarHBondContact CE2-ND2 3.4Å; F106-N110 VanDerWaalsContact CG-ND2 3.29Å; F106-N110 WeakPolarHBondContact CG-ND2 3.21Å; F106-N110 WeakPolarHBondContact CZ-ND2 3.4Å; F106-N110 VanDerWaalsContact O-CB 3.29Å; F106-N110 WeakPolarHBondContact O-CB 3.27Å; F106-N110 PolarHBondContact O-N 2.9Å; F106-N110 PolarHBondContact O-ND2 3.38Å |
| 107 | I | 88.4 | Confident | 84.1 | Confident | 100 Ų | 100 | 87.1 Ų | 87.1 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.8 | -67.1 | 165.4 | 0 | 0 | 0 | 110.6 | I103 L104 G111 | I103-I107 HydrophobicContact CG2-CD1 4.12Å; I103-I107 WeakPolarHBondContact O-CG1 3.41Å; I103-I107 PolarHBondContact O-N 3.03Å; L104-I107 PolarHBondContact O-N 3.01Å; I107-G111 WeakPolarHBondContact O-CA 3.34Å; I107-G111 PolarHBondContact O-N 3.37Å |
| 108 | F | 88.2 | Confident | 84.9 | Confident | 137 Ų | 137 | 82.1 Ų | 82.1 | 60% | 0.601 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.1 | -50.7 | 179.8 | -76.4 | -58.3 | 0 | 0 | 0 | 113.2 | L104 S105 F106 W112 | L104-F108 HydrophobicContact CD1-CD2 4.15Å; L104-F108 HydrophobicContact CD1-CE2 3.54Å; L104-F108 HydrophobicContact CD1-CZ 4.12Å; L104-F108 HydrophobicContact CD2-CE2 4.12Å; L104-F108 HydrophobicContact CG-CD2 3.98Å; L104-F108 HydrophobicContact CG-CE2 3.55Å; L104-F108 WeakPolarHBondContact O-CD2 3.42Å; L104-F108 PolarHBondContact O-N 2.9Å; L104-F108 VanDerWaalsContact O-N 3.08Å; S105-F108 PolarHBondContact O-N 3.4Å; F106-F108 VanDerWaalsContact C-N 3.34Å; F106-F108 PolarHBondContact O-N 2.89Å; F108-W112 WeakPolarHBondContact O-CB 3.26Å; F108-W112 PolarHBondContact O-N 3.38Å |
| 109 | Y | 88.6 | Confident | 85.3 | Confident | 110 Ų | 110 | 84 Ų | 84 | 43% | 0.431 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -73.9 | -39 | -177.4 | -69.3 | -70.8 | 0 | 0 | 0 | 112.7 | Y33 F34 S105 L113 | Y33-Y109 HydrophobicContact CD1-CD2 4.2Å; Y33-Y109 HydrophobicContact CD1-CE2 4.4Å; Y33-Y109 AromaticContact CE1-CD2 3.53Å; Y33-Y109 HydrophobicContact CE1-CD2 3.53Å; Y33-Y109 AromaticContact CE1-CE2 3.51Å; Y33-Y109 HydrophobicContact CE1-CE2 3.51Å; Y33-Y109 HydrophobicContact CE1-CG 4.37Å; Y33-Y109 AromaticContact CZ-CE2 3.62Å; Y33-Y109 WeakPolarHBondContact OH-CE2 3.35Å; F34-Y109 HydrophobicContact CZ-CD2 4.42Å; F34-Y109 HydrophobicContact CZ-CG 4.44Å; S105-Y109 WeakPolarHBondContact O-CD2 3.36Å; S105-Y109 PolarHBondContact O-N 3.42Å; S105-Y109 VanDerWaalsContact O-N 3.11Å; Y109-L113 WeakPolarHBondContact O-CB 3.36Å; Y109-L113 PolarHBondContact O-N 3.28Å; Y109-L113 VanDerWaalsContact O-N 3.1Å |
| 110 | N | 87.4 | Confident | 85.5 | Confident | 30 Ų | 30 | 87.3 Ų | 87.3 | 16% | 0.16 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -73.3 | -34.9 | 174.4 | -70.6 | -77.1 | 0 | 0 | 0 | 112.3 | F34 F106 L113 K114 | F34-N110 WeakPolarHBondContact CE2-ND2 3.28Å; F34-N110 WeakPolarHBondContact CZ-ND2 3.28Å; F106-N110 WeakPolarHBondContact CD2-ND2 3.49Å; F106-N110 HydrophobicContact CE1-CB 4.44Å; F106-N110 WeakPolarHBondContact CE2-ND2 3.4Å; F106-N110 VanDerWaalsContact CG-ND2 3.29Å; F106-N110 WeakPolarHBondContact CG-ND2 3.21Å; F106-N110 WeakPolarHBondContact CZ-ND2 3.4Å; F106-N110 VanDerWaalsContact O-CB 3.29Å; F106-N110 WeakPolarHBondContact O-CB 3.27Å; F106-N110 PolarHBondContact O-N 2.9Å; F106-N110 PolarHBondContact O-ND2 3.38Å; N110-L113 PolarHBondContact O-N 3.07Å; N110-K114 WeakPolarHBondContact O-CB 3.48Å; N110-K114 WeakPolarHBondContact O-CG 3.43Å; N110-K114 PolarHBondContact O-N 3.46Å |
| 111 | G | 90 | Very high | 85.5 | Confident | 32 Ų | 32 | 86.3 Ų | 86.3 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I107 L113 K114 V115 | I107-G111 WeakPolarHBondContact O-CA 3.34Å; I107-G111 PolarHBondContact O-N 3.37Å; G111-L113 VanDerWaalsContact C-N 3.34Å; G111-L113 PolarHBondContact O-N 2.87Å; G111-K114 PolarHBondContact O-N 3.21Å; G111-V115 WeakPolarHBondContact O-CG2 3.41Å; G111-V115 PolarHBondContact O-N 2.95Å |
| 112 | W | 90.5 | Very high | 85.5 | Confident | 205 Ų | 205 | 81.2 Ų | 81.2 | 78% | 0.777 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 174.6 | -159.7 | -14.8 | 0 | 0 | 0 | 111.9 | F108 K114 V115 A116 | F108-W112 WeakPolarHBondContact O-CB 3.26Å; F108-W112 PolarHBondContact O-N 3.38Å; W112-K114 VanDerWaalsContact C-N 3.31Å; W112-K114 PolarHBondContact O-N 2.92Å; W112-V115 PolarHBondContact O-N 3.44Å; W112-A116 PolarHBondContact O-N 3.03Å |
| 113 | L | 88.9 | Confident | 85.6 | Confident | 32 Ų | 32 | 86.9 Ų | 86.9 | 17% | 0.168 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 174.1 | -174.7 | 65.5 | 0 | 0 | 0 | 111.9 | V26 V30 Y31 Y109 N110 G111 A116 E117 | V26-L113 HydrophobicContact CG1-CD1 4.34Å; V30-L113 HydrophobicContact CB-CD2 4.38Å; V30-L113 HydrophobicContact CG1-CD2 4.11Å; Y31-L113 HydrophobicContact CE1-CD2 4.39Å; Y109-L113 WeakPolarHBondContact O-CB 3.36Å; Y109-L113 PolarHBondContact O-N 3.28Å; Y109-L113 VanDerWaalsContact O-N 3.1Å; N110-L113 PolarHBondContact O-N 3.07Å; G111-L113 VanDerWaalsContact C-N 3.34Å; G111-L113 PolarHBondContact O-N 2.87Å; L113-A116 WeakPolarHBondContact O-CB 3.49Å; L113-A116 PolarHBondContact O-N 3.4Å; L113-E117 PolarHBondContact O-N 3.49Å |
| 114 | K | 86.2 | Confident | 85.4 | Confident | 128 Ų | 128 | 84.6 Ų | 84.6 | 56% | 0.557 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.7 | -40.7 | 178.5 | -84.4 | -76.3 | 170.9 | -159.7 | 0 | 113.1 | N110 G111 W112 A116 E117 S118 | N110-K114 WeakPolarHBondContact O-CB 3.48Å; N110-K114 WeakPolarHBondContact O-CG 3.43Å; N110-K114 PolarHBondContact O-N 3.46Å; G111-K114 PolarHBondContact O-N 3.21Å; W112-K114 VanDerWaalsContact C-N 3.31Å; W112-K114 PolarHBondContact O-N 2.92Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-A116 PolarHBondContact O-N 3.27Å; K114-E117 WeakPolarHBondContact CD-OE2 3.38Å; K114-E117 WeakPolarHBondContact CE-OE2 3.46Å; K114-E117 IonicContact NZ-OE1 3.81Å; K114-E117 IonicContact NZ-OE2 2.73Å; K114-E117 PolarHBondContact NZ-OE2 3.3Å; K114-E117 WeakPolarHBondContact O-CB 3.03Å; K114-E117 PolarHBondContact O-N 3.19Å; K114-E117 VanDerWaalsContact O-N 3.15Å; K114-S118 PolarHBondContact O-N 3.37Å |
| 115 | V | 88 | Confident | 85.1 | Confident | 82 Ų | 82 | 89 Ų | 89 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 172.7 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | G111 W112 E117 S118 L119 | G111-V115 WeakPolarHBondContact O-CG2 3.41Å; G111-V115 PolarHBondContact O-N 2.95Å; W112-V115 PolarHBondContact O-N 3.44Å; V115-E117 VanDerWaalsContact C-N 3.3Å; V115-E117 PolarHBondContact O-N 3.23Å; V115-S118 PolarHBondContact O-OG 3.28Å; V115-S118 VanDerWaalsContact O-OG 3.08Å; V115-L119 HydrophobicContact CG1-CD1 4.05Å; V115-L119 VanDerWaalsContact O-CG 3.27Å; V115-L119 WeakPolarHBondContact O-CG 3.32Å; V115-L119 PolarHBondContact O-N 3.19Å |
| 116 | A | 86.6 | Confident | 85 | Confident | 50 Ų | 50 | 93.1 Ų | 93.1 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -35.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W112 L113 K114 V120 | W112-A116 PolarHBondContact O-N 3.03Å; L113-A116 WeakPolarHBondContact O-CB 3.49Å; L113-A116 PolarHBondContact O-N 3.4Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-A116 PolarHBondContact O-N 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.38Å; A116-V120 PolarHBondContact O-N 2.73Å |
| 117 | E | 84.4 | Confident | 84.9 | Confident | 111 Ų | 111 | 96.5 Ų | 96.5 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 178 | -169.6 | 178.9 | -172.1 | 0 | 0 | 112.2 | L113 K114 V115 L119 V120 | L113-E117 PolarHBondContact O-N 3.49Å; K114-E117 WeakPolarHBondContact CD-OE2 3.38Å; K114-E117 WeakPolarHBondContact CE-OE2 3.46Å; K114-E117 IonicContact NZ-OE1 3.81Å; K114-E117 IonicContact NZ-OE2 2.73Å; K114-E117 PolarHBondContact NZ-OE2 3.3Å; K114-E117 WeakPolarHBondContact O-CB 3.03Å; K114-E117 PolarHBondContact O-N 3.19Å; K114-E117 VanDerWaalsContact O-N 3.15Å; V115-E117 VanDerWaalsContact C-N 3.3Å; V115-E117 PolarHBondContact O-N 3.23Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 3.44Å; E117-V120 WeakPolarHBondContact O-CB 3.4Å; E117-V120 PolarHBondContact O-N 2.98Å |
| 118 | S | 82.6 | Confident | 84.7 | Confident | 31 Ų | 31 | 98.7 Ų | 98.7 | 22% | 0.217 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 177.6 | 60.3 | 0 | 0 | 0 | 0 | 112 | K114 V115 V120 | K114-S118 PolarHBondContact O-N 3.37Å; V115-S118 PolarHBondContact O-OG 3.28Å; V115-S118 VanDerWaalsContact O-OG 3.08Å; S118-V120 VanDerWaalsContact C-N 3.27Å; S118-V120 PolarHBondContact O-N 3.36Å |
| 119 | L | 79.4 | Confident | 84.7 | Confident | 123 Ų | 123 | 93 Ų | 93 | 64% | 0.644 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -10.5 | 178.7 | -66.8 | 174.2 | 0 | 0 | 0 | 114.6 | V115 E117 S121 | V115-L119 HydrophobicContact CG1-CD1 4.05Å; V115-L119 VanDerWaalsContact O-CG 3.27Å; V115-L119 WeakPolarHBondContact O-CG 3.32Å; V115-L119 PolarHBondContact O-N 3.19Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 3.44Å; L119-S121 VanDerWaalsContact C-N 3.29Å; L119-S121 PolarHBondContact O-N 2.87Å |
| 120 | V | 81.9 | Confident | 84.5 | Confident | 111 Ų | 111 | 94.2 Ų | 94.2 | 67% | 0.673 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -33.9 | 177.5 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | A116 E117 S118 | A116-V120 WeakPolarHBondContact O-CG2 3.38Å; A116-V120 PolarHBondContact O-N 2.73Å; E117-V120 WeakPolarHBondContact O-CB 3.4Å; E117-V120 PolarHBondContact O-N 2.98Å; S118-V120 VanDerWaalsContact C-N 3.27Å; S118-V120 PolarHBondContact O-N 3.36Å |
| 121 | S | 79.1 | Confident | 84.5 | Confident | 71 Ų | 71 | 99.9 Ų | 99.9 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | trans | -137.4 | 74.3 | -175.1 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | L119 F123 G124 | L119-S121 VanDerWaalsContact C-N 3.29Å; L119-S121 PolarHBondContact O-N 2.87Å; S121-F123 PolarHBondContact O-N 3.33Å; S121-G124 PolarHBondContact O-N 3.42Å; S121-G124 VanDerWaalsContact O-N 3.13Å | ||
| 122 | P | 80.7 | Confident | 84.5 | Confident | 40 Ų | 40 | 101.6 Ų | 101.6 | 26% | 0.26 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 6.2 | -174.5 | 33.2 | -39.7 | 0 | 0 | 0 | 114.4 | D129 F130 | P122-D129 WeakPolarHBondContact CA-OD1 3.36Å; P122-F130 HydrophobicContact CB-CD2 3.86Å; P122-F130 HydrophobicContact CB-CE2 3.88Å; P122-F130 WeakPolarHBondContact O-CB 3.25Å; P122-F130 VanDerWaalsContact O-CD2 3.25Å; P122-F130 WeakPolarHBondContact O-CD2 3.4Å; P122-F130 PolarHBondContact O-N 3.06Å |
| 123 | F | 81.9 | Confident | 84.5 | Confident | 148 Ų | 148 | 96.3 Ų | 96.3 | 65% | 0.649 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 22.1 | 179.3 | -56.8 | -61.7 | 0 | 0 | 0 | 111.4 | S121 F130 V132 | S121-F123 PolarHBondContact O-N 3.33Å; F123-F130 HydrophobicContact CD1-CB 4.27Å; F123-F130 HydrophobicContact CD1-CD2 4.27Å; F123-F130 HydrophobicContact CE1-CB 4.49Å; F123-F130 HydrophobicContact CE1-CD2 4.02Å; F123-V132 HydrophobicContact CD1-CG2 3.52Å; F123-V132 HydrophobicContact CE1-CG2 4.14Å; F123-V132 HydrophobicContact CG-CG2 4.44Å |
| 124 | G | 81.8 | Confident | 84.5 | Confident | 31 Ų | 31 | 97.7 Ų | 97.7 | 32% | 0.32 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -77.1 | -149.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S121 D129 | S121-G124 PolarHBondContact O-N 3.42Å; S121-G124 VanDerWaalsContact O-N 3.13Å; G124-D129 WeakPolarHBondContact CA-OD2 3.41Å; G124-D129 PolarHBondContact N-OD2 2.9Å |
| 125 | L | 80.5 | Confident | 84.8 | Confident | 173 Ų | 173 | 96.4 Ų | 96.4 | 91% | 0.906 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -119.8 | 12.2 | 178.1 | -64 | 174.6 | 0 | 0 | 0 | 111 | D129 | L125-D129 PolarHBondContact N-OD2 2.91Å; L125-D129 VanDerWaalsContact N-OD2 3.14Å |
| 126 | D | 83.6 | Confident | 85 | Confident | 108 Ų | 108 | 97.7 Ų | 97.7 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -74.2 | 151.6 | 177.2 | -65 | -20 | 0 | 0 | 0 | 109.1 | D128 D129 | D126-D128 PolarHBondContact O-N 3.27Å; D126-D128 VanDerWaalsContact O-N 3.08Å; D126-D129 WeakPolarHBondContact CB-OD2 2.93Å; D126-D129 PolarHBondContact N-OD2 3.14Å; D126-D129 VanDerWaalsContact O-CB 3.3Å; D126-D129 WeakPolarHBondContact O-CB 3.49Å; D126-D129 PolarHBondContact O-N 2.85Å |
| 127 | D | 84.1 | Confident | 85.4 | Confident | 173 Ų | 173 | 100.3 Ų | 100.3 | 93% | 0.925 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.3 | -174.2 | -65.2 | -31 | 0 | 0 | 0 | 113.3 | ||
| 128 | D | 84.9 | Confident | 85.8 | Confident | 147 Ų | 147 | 103.6 Ų | 103.6 | 79% | 0.786 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -2.3 | 178.4 | -66.2 | -42.4 | 0 | 0 | 0 | 113.4 | D126 | D126-D128 PolarHBondContact O-N 3.27Å; D126-D128 VanDerWaalsContact O-N 3.08Å |
| 129 | D | 88.5 | Confident | 86.4 | Confident | 18 Ų | 18 | 106.2 Ų | 106.2 | 10% | 0.096 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -77 | 160 | -179.3 | -73 | -33.7 | 0 | 0 | 0 | 112.4 | P122 G124 L125 D126 E131 | P122-D129 WeakPolarHBondContact CA-OD1 3.36Å; G124-D129 WeakPolarHBondContact CA-OD2 3.41Å; G124-D129 PolarHBondContact N-OD2 2.9Å; L125-D129 PolarHBondContact N-OD2 2.91Å; L125-D129 VanDerWaalsContact N-OD2 3.14Å; D126-D129 WeakPolarHBondContact CB-OD2 2.93Å; D126-D129 PolarHBondContact N-OD2 3.14Å; D126-D129 VanDerWaalsContact O-CB 3.3Å; D126-D129 WeakPolarHBondContact O-CB 3.49Å; D126-D129 PolarHBondContact O-N 2.85Å; D129-E131 PolarHBondContact O-N 3.08Å |
| 130 | F | 83.8 | Confident | 87.1 | Confident | 135 Ų | 135 | 105.3 Ų | 105.3 | 59% | 0.592 | 55% | 0.553 | S | S | * | * | trans | -66.4 | 124.1 | 173.9 | -67.1 | -62.1 | 0 | 0 | 0 | 110.9 | P122 F123 V132 | P122-F130 HydrophobicContact CB-CD2 3.86Å; P122-F130 HydrophobicContact CB-CE2 3.88Å; P122-F130 WeakPolarHBondContact O-CB 3.25Å; P122-F130 VanDerWaalsContact O-CD2 3.25Å; P122-F130 WeakPolarHBondContact O-CD2 3.4Å; P122-F130 PolarHBondContact O-N 3.06Å; F123-F130 HydrophobicContact CD1-CB 4.27Å; F123-F130 HydrophobicContact CD1-CD2 4.27Å; F123-F130 HydrophobicContact CE1-CB 4.49Å; F123-F130 HydrophobicContact CE1-CD2 4.02Å; F130-V132 HydrophobicContact CB-CG2 4.35Å; F130-V132 PolarHBondContact O-N 2.95Å | ||
| 131 | E | 87.6 | Confident | 87.6 | Confident | 149 Ų | 149 | 102.6 Ų | 102.6 | 70% | 0.696 | 54% | 0.535 | S | S | * | . | trans | -69.7 | 76.8 | 169.7 | -66.3 | -173 | -179.6 | 0 | 0 | 111.4 | D129 V133 P134 L135 | D129-E131 PolarHBondContact O-N 3.08Å; E131-V133 VanDerWaalsContact C-N 3.3Å; E131-V133 PolarHBondContact O-N 2.85Å; E131-P134 HydrophobicContact CB-CG 4Å; E131-P134 WeakPolarHBondContact O-CD 3.42Å; E131-L135 WeakPolarHBondContact O-CB 2.96Å; E131-L135 PolarHBondContact O-N 2.86Å | ||
| 132 | V | 89.8 | Confident | 88.2 | Confident | 67 Ų | 67 | 101 Ų | 101 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -34.5 | -177.2 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | F123 F130 L135 L136 | F123-V132 HydrophobicContact CD1-CG2 3.52Å; F123-V132 HydrophobicContact CE1-CG2 4.14Å; F123-V132 HydrophobicContact CG-CG2 4.44Å; F130-V132 HydrophobicContact CB-CG2 4.35Å; F130-V132 PolarHBondContact O-N 2.95Å; V132-L135 PolarHBondContact O-N 3.17Å; V132-L136 VanDerWaalsContact O-CB 3.24Å; V132-L136 WeakPolarHBondContact O-CB 3.3Å; V132-L136 PolarHBondContact O-N 3.4Å |
| 133 | V | 89.7 | Confident | 88.8 | Confident | 95 Ų | 95 | 101.9 Ų | 101.9 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66 | -54.4 | -177 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | E131 L135 L136 E137 | E131-V133 VanDerWaalsContact C-N 3.3Å; E131-V133 PolarHBondContact O-N 2.85Å; V133-L135 VanDerWaalsContact C-N 3.29Å; V133-L135 PolarHBondContact O-N 2.89Å; V133-L136 PolarHBondContact O-N 3.04Å; V133-E137 WeakPolarHBondContact O-CG 3.39Å; V133-E137 PolarHBondContact O-N 3.29Å |
| 134 | P | 89.5 | Confident | 89.2 | Confident | 61 Ų | 61 | 98.5 Ų | 98.5 | 40% | 0.396 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.8 | -38.7 | 172.5 | -27.6 | 36.1 | 0 | 0 | 0 | 113.7 | E131 E137 R138 | E131-P134 HydrophobicContact CB-CG 4Å; E131-P134 WeakPolarHBondContact O-CD 3.42Å; P134-E137 PolarHBondContact O-N 3.13Å; P134-R138 VanDerWaalsContact O-CB 3.32Å; P134-R138 WeakPolarHBondContact O-CB 3.41Å; P134-R138 PolarHBondContact O-N 3.4Å |
| 135 | L | 91.5 | Very high | 89.5 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 177.7 | -173.4 | 150.4 | 0 | 0 | 0 | 111.6 | E131 V132 V133 N139 | E131-L135 WeakPolarHBondContact O-CB 2.96Å; E131-L135 PolarHBondContact O-N 2.86Å; V132-L135 PolarHBondContact O-N 3.17Å; V133-L135 VanDerWaalsContact C-N 3.29Å; V133-L135 PolarHBondContact O-N 2.89Å; L135-N139 VanDerWaalsContact CD2-ND2 3.28Å; L135-N139 WeakPolarHBondContact CD2-ND2 3.24Å; L135-N139 WeakPolarHBondContact O-CB 3.28Å; L135-N139 VanDerWaalsContact O-CG 3.25Å; L135-N139 PolarHBondContact O-N 3.09Å; L135-N139 PolarHBondContact O-ND2 3.35Å |
| 136 | L | 92.9 | Very high | 89.8 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.7 | -46.5 | 175.6 | 178.4 | 63.9 | 0 | 0 | 0 | 111.3 | V132 V133 N139 L140 | V132-L136 VanDerWaalsContact O-CB 3.24Å; V132-L136 WeakPolarHBondContact O-CB 3.3Å; V132-L136 PolarHBondContact O-N 3.4Å; V133-L136 PolarHBondContact O-N 3.04Å; L136-N139 PolarHBondContact O-N 2.9Å; L136-L140 VanDerWaalsContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 PolarHBondContact O-N 3.3Å |
| 137 | E | 94.7 | Very high | 89.8 | Confident | 105 Ų | 105 | 95 Ų | 95 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 176.9 | -72.6 | -178.8 | -174.4 | 0 | 0 | 111.3 | V133 P134 N139 L140 N141 T248 | V133-E137 WeakPolarHBondContact O-CG 3.39Å; V133-E137 PolarHBondContact O-N 3.29Å; P134-E137 PolarHBondContact O-N 3.13Å; E137-N139 PolarHBondContact O-N 2.75Å; E137-L140 PolarHBondContact O-N 3.24Å; E137-N141 VanDerWaalsContact O-CB 3.22Å; E137-N141 WeakPolarHBondContact O-CB 3.16Å; E137-N141 PolarHBondContact O-N 3.26Å; E137-T248 WeakPolarHBondContact OE2-CG2 3.45Å |
| 138 | R | 94.2 | Very high | 89.8 | Confident | 181 Ų | 181 | 91.4 Ų | 91.4 | 68% | 0.683 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -57.7 | -50.1 | 175.1 | 178.3 | -177.1 | 175.5 | 175 | 0.7 | 111.3 | P134 T142 | P134-R138 VanDerWaalsContact O-CB 3.32Å; P134-R138 WeakPolarHBondContact O-CB 3.41Å; P134-R138 PolarHBondContact O-N 3.4Å; R138-T142 WeakPolarHBondContact O-CB 3.32Å; R138-T142 PolarHBondContact O-N 2.8Å; R138-T142 PolarHBondContact O-OG1 3.15Å |
| 139 | N | 94.2 | Very high | 89.4 | Confident | 86 Ų | 86 | 85.6 Ų | 85.6 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | -177.3 | -74.7 | -14.1 | 0 | 0 | 0 | 111.8 | L135 L136 E137 S143 | L135-N139 VanDerWaalsContact CD2-ND2 3.28Å; L135-N139 WeakPolarHBondContact CD2-ND2 3.24Å; L135-N139 WeakPolarHBondContact O-CB 3.28Å; L135-N139 VanDerWaalsContact O-CG 3.25Å; L135-N139 PolarHBondContact O-N 3.09Å; L135-N139 PolarHBondContact O-ND2 3.35Å; L136-N139 PolarHBondContact O-N 2.9Å; E137-N139 PolarHBondContact O-N 2.75Å; N139-S143 WeakPolarHBondContact O-CB 3.2Å; N139-S143 PolarHBondContact O-N 2.91Å; N139-S143 PolarHBondContact O-OG 2.82Å; N139-S143 VanDerWaalsContact O-OG 3.06Å |
| 140 | L | 93.9 | Very high | 88.4 | Confident | 103 Ų | 103 | 88 Ų | 88 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.9 | -48.8 | 178.3 | -171.7 | 138.7 | 0 | 0 | 0 | 110.8 | L136 E137 S143 L144 | L136-L140 VanDerWaalsContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 PolarHBondContact O-N 3.3Å; E137-L140 PolarHBondContact O-N 3.24Å; L140-S143 PolarHBondContact O-N 3.46Å; L140-S143 PolarHBondContact O-OG 3.2Å; L140-L144 HydrophobicContact CD2-CD1 4.42Å; L140-L144 HydrophobicContact CG-CD1 4.38Å; L140-L144 WeakPolarHBondContact O-CD1 3.18Å; L140-L144 PolarHBondContact O-N 2.97Å |
| 141 | N | 92.9 | Very high | 87.7 | Confident | 55 Ų | 55 | 87.7 Ų | 87.7 | 29% | 0.294 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 177.7 | -171.3 | 31.4 | 0 | 0 | 0 | 111.8 | E137 S143 L144 Y145 | E137-N141 VanDerWaalsContact O-CB 3.22Å; E137-N141 WeakPolarHBondContact O-CB 3.16Å; E137-N141 PolarHBondContact O-N 3.26Å; N141-S143 PolarHBondContact O-N 3.03Å; N141-L144 PolarHBondContact O-N 2.81Å; N141-Y145 WeakPolarHBondContact O-CB 3.32Å; N141-Y145 PolarHBondContact O-N 3.03Å |
| 142 | T | 91.5 | Very high | 86.8 | Confident | 37 Ų | 37 | 84.5 Ų | 84.5 | 23% | 0.227 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 178.9 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | R138 Y145 F146 | R138-T142 WeakPolarHBondContact O-CB 3.32Å; R138-T142 PolarHBondContact O-N 2.8Å; R138-T142 PolarHBondContact O-OG1 3.15Å; T142-Y145 PolarHBondContact O-N 2.74Å; T142-F146 HydrophobicContact CG2-CD2 3.53Å; T142-F146 HydrophobicContact CG2-CE2 3.35Å; T142-F146 WeakPolarHBondContact O-CD2 3.41Å; T142-F146 PolarHBondContact O-N 3.25Å |
| 143 | S | 92.9 | Very high | 85.6 | Confident | 59 Ų | 59 | 85.1 Ų | 85.1 | 41% | 0.413 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 179.2 | 70 | 0 | 0 | 0 | 0 | 112.7 | N139 L140 N141 V147 | N139-S143 WeakPolarHBondContact O-CB 3.2Å; N139-S143 PolarHBondContact O-N 2.91Å; N139-S143 PolarHBondContact O-OG 2.82Å; N139-S143 VanDerWaalsContact O-OG 3.06Å; L140-S143 PolarHBondContact O-N 3.46Å; L140-S143 PolarHBondContact O-OG 3.2Å; N141-S143 PolarHBondContact O-N 3.03Å; S143-V147 VanDerWaalsContact O-CG2 3.32Å; S143-V147 WeakPolarHBondContact O-CG2 3.44Å; S143-V147 PolarHBondContact O-N 3.33Å |
| 144 | L | 91.1 | Very high | 84.5 | Confident | 76 Ų | 76 | 84.9 Ų | 84.9 | 40% | 0.398 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 173.2 | -98.4 | 71.7 | 0 | 0 | 0 | 110.7 | L140 N141 F146 V147 D148 | L140-L144 HydrophobicContact CD2-CD1 4.42Å; L140-L144 HydrophobicContact CG-CD1 4.38Å; L140-L144 WeakPolarHBondContact O-CD1 3.18Å; L140-L144 PolarHBondContact O-N 2.97Å; N141-L144 PolarHBondContact O-N 2.81Å; L144-F146 PolarHBondContact O-N 3.39Å; L144-V147 PolarHBondContact O-N 2.94Å; L144-D148 WeakPolarHBondContact O-CB 3.49Å; L144-D148 PolarHBondContact O-N 2.73Å |
| 145 | Y | 88 | Confident | 83.3 | Confident | 55 Ų | 55 | 89.1 Ų | 89.1 | 22% | 0.216 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 178.4 | 179.1 | -95.1 | 0 | 0 | 0 | 111.8 | N141 T142 V147 D148 T149 P243 L245 | N141-Y145 WeakPolarHBondContact O-CB 3.32Å; N141-Y145 PolarHBondContact O-N 3.03Å; T142-Y145 PolarHBondContact O-N 2.74Å; Y145-V147 PolarHBondContact O-N 3.42Å; Y145-D148 PolarHBondContact O-N 3.35Å; Y145-T149 HydrophobicContact CD2-CG2 3.71Å; Y145-T149 HydrophobicContact CE1-CG2 4.32Å; Y145-T149 WeakPolarHBondContact CE1-OG1 3.48Å; Y145-T149 HydrophobicContact CE2-CG2 3.39Å; Y145-T149 HydrophobicContact CG-CG2 4.29Å; Y145-T149 VanDerWaalsContact O-CB 3.31Å; Y145-T149 WeakPolarHBondContact O-CB 3.15Å; Y145-T149 WeakPolarHBondContact O-CG2 3.22Å; Y145-T149 PolarHBondContact O-N 2.9Å; Y145-T149 PolarHBondContact O-OG1 3.4Å; Y145-P243 WeakPolarHBondContact OH-CB 3.28Å; Y145-P243 WeakPolarHBondContact OH-CG 3.34Å; Y145-L245 HydrophobicContact CD1-CD2 4.33Å; Y145-L245 HydrophobicContact CD2-CD2 3.58Å; Y145-L245 HydrophobicContact CE2-CD2 4.08Å; Y145-L245 HydrophobicContact CG-CD2 3.74Å |
| 146 | F | 85.5 | Confident | 81.9 | Confident | 100 Ų | 100 | 88.4 Ų | 88.4 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.5 | -85 | -67.7 | 0 | 0 | 0 | 112.3 | T142 L144 C150 | T142-F146 HydrophobicContact CG2-CD2 3.53Å; T142-F146 HydrophobicContact CG2-CE2 3.35Å; T142-F146 WeakPolarHBondContact O-CD2 3.41Å; T142-F146 PolarHBondContact O-N 3.25Å; L144-F146 PolarHBondContact O-N 3.39Å; F146-C150 VanDerWaalsContact CD1-SG 3.55Å; F146-C150 WeakPolarHBondContact O-CB 3.47Å; F146-C150 PolarHBondContact O-N 3.36Å |
| 147 | V | 85 | Confident | 80.8 | Confident | 84 Ų | 84 | 88.6 Ų | 88.6 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.5 | -40.9 | -179.3 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | S143 L144 Y145 I151 | S143-V147 VanDerWaalsContact O-CG2 3.32Å; S143-V147 WeakPolarHBondContact O-CG2 3.44Å; S143-V147 PolarHBondContact O-N 3.33Å; L144-V147 PolarHBondContact O-N 2.94Å; Y145-V147 PolarHBondContact O-N 3.42Å; V147-I151 HydrophobicContact CG1-CD1 4.04Å; V147-I151 VanDerWaalsContact O-CB 3.28Å; V147-I151 WeakPolarHBondContact O-CB 3.32Å; V147-I151 WeakPolarHBondContact O-CG1 3.49Å |
| 148 | D | 83.9 | Confident | 79.6 | Confident | 98 Ų | 98 | 88.2 Ų | 88.2 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.1 | -44.8 | -178.8 | -75.8 | -14.8 | 0 | 0 | 0 | 111.5 | L144 Y145 S152 | L144-D148 WeakPolarHBondContact O-CB 3.49Å; L144-D148 PolarHBondContact O-N 2.73Å; Y145-D148 PolarHBondContact O-N 3.35Å; D148-S152 WeakPolarHBondContact O-CB 3.1Å; D148-S152 PolarHBondContact O-N 2.87Å; D148-S152 PolarHBondContact O-OG 3.04Å |
| 149 | T | 75.3 | Confident | 78.4 | Confident | 24 Ų | 24 | 88 Ų | 88 | 15% | 0.147 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -84.6 | -43.9 | -174.9 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | Y145 I151 D153 | Y145-T149 HydrophobicContact CD2-CG2 3.71Å; Y145-T149 HydrophobicContact CE1-CG2 4.32Å; Y145-T149 WeakPolarHBondContact CE1-OG1 3.48Å; Y145-T149 HydrophobicContact CE2-CG2 3.39Å; Y145-T149 HydrophobicContact CG-CG2 4.29Å; Y145-T149 VanDerWaalsContact O-CB 3.31Å; Y145-T149 WeakPolarHBondContact O-CB 3.15Å; Y145-T149 WeakPolarHBondContact O-CG2 3.22Å; Y145-T149 PolarHBondContact O-N 2.9Å; Y145-T149 PolarHBondContact O-OG1 3.4Å; T149-I151 VanDerWaalsContact C-N 3.32Å; T149-I151 PolarHBondContact O-N 2.67Å; T149-D153 PolarHBondContact O-N 2.75Å |
| 150 | C | 68 | Low | 77.1 | Confident | 69 Ų | 69 | 91.8 Ų | 91.8 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -78.1 | -19.3 | -173.9 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | F146 | F146-C150 VanDerWaalsContact CD1-SG 3.55Å; F146-C150 WeakPolarHBondContact O-CB 3.47Å; F146-C150 PolarHBondContact O-N 3.36Å |
| 151 | I | 69.8 | Low | 76 | Confident | 129 Ų | 129 | 92.4 Ų | 92.4 | 66% | 0.662 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -94.1 | -37.1 | 175.1 | -54.8 | -179.8 | 0 | 0 | 0 | 111.2 | V147 T149 | V147-I151 HydrophobicContact CG1-CD1 4.04Å; V147-I151 VanDerWaalsContact O-CB 3.28Å; V147-I151 WeakPolarHBondContact O-CB 3.32Å; V147-I151 WeakPolarHBondContact O-CG1 3.49Å; T149-I151 VanDerWaalsContact C-N 3.32Å; T149-I151 PolarHBondContact O-N 2.67Å |
| 152 | S | 68.2 | Low | 74.9 | Confident | 81 Ų | 81 | 98.9 Ų | 98.9 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -80.5 | -35.2 | -176.4 | -50.1 | 0 | 0 | 0 | 0 | 112.9 | D148 P154 | D148-S152 WeakPolarHBondContact O-CB 3.1Å; D148-S152 PolarHBondContact O-N 2.87Å; D148-S152 PolarHBondContact O-OG 3.04Å; S152-P154 VanDerWaalsContact O-CD 3.3Å; S152-P154 WeakPolarHBondContact O-CD 3.13Å |
| 153 | D | 65.5 | Low | 73.4 | Confident | 80 Ų | 80 | 102 Ų | 102 | 43% | 0.428 | 56% | 0.56 | S | S | . | * | trans | -117.9 | 89.8 | -173.3 | -64.2 | -37.1 | 0 | 0 | 0 | 111 | T149 N155 L156 | T149-D153 PolarHBondContact O-N 2.75Å; D153-N155 PolarHBondContact O-N 2.89Å; D153-L156 HydrophobicContact CB-CD1 4.33Å; D153-L156 PolarHBondContact O-N 3.42Å; D153-L156 VanDerWaalsContact O-N 3.11Å | ||
| 154 | P | 65.9 | Low | 71.7 | Confident | 91 Ų | 91 | 103 Ų | 103 | 59% | 0.591 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -62.5 | -8.5 | 172.9 | 26.2 | -34.2 | 0 | 0 | 0 | 113.4 | S152 | S152-P154 VanDerWaalsContact O-CD 3.3Å; S152-P154 WeakPolarHBondContact O-CD 3.13Å |
| 155 | N | 63.9 | Low | 69.8 | Low | 150 Ų | 150 | 104.3 Ų | 104.3 | 80% | 0.802 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -86.1 | -7 | 177.4 | -58.3 | -32.3 | 0 | 0 | 0 | 113.6 | D153 | D153-N155 PolarHBondContact O-N 2.89Š|
| 156 | L | 63.6 | Low | 68.2 | Low | 85 Ų | 85 | 109.6 Ų | 109.6 | 45% | 0.445 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -85.5 | -10.5 | 174.7 | -120.7 | 85.3 | 0 | 0 | 0 | 113.1 | D153 P158 P243 | D153-L156 HydrophobicContact CB-CD1 4.33Å; D153-L156 PolarHBondContact O-N 3.42Å; D153-L156 VanDerWaalsContact O-N 3.11Å; L156-P158 WeakPolarHBondContact O-CD 3.14Å; L156-P243 HydrophobicContact CD2-CG 4.42Å |
| 157 | I | 68.2 | Low | 66.8 | Low | 112 Ų | 112 | 109.7 Ų | 109.7 | 57% | 0.574 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -71 | 119.3 | 170.5 | -56.6 | 171.6 | 0 | 0 | 0 | 105.7 | E159 | I157-E159 PolarHBondContact O-N 2.75Š|
| 158 | P | 70.5 | Confident | 65.5 | Low | 97 Ų | 97 | 111 Ų | 111 | 63% | 0.63 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 130 | 177.4 | 22.2 | -31.4 | 0 | 0 | 0 | 108.3 | L156 L160 | L156-P158 WeakPolarHBondContact O-CD 3.14Å; P158-L160 PolarHBondContact O-N 2.97Å |
| 159 | E | 68.2 | Low | 64.3 | Low | 176 Ų | 176 | 112.3 Ų | 112.3 | 82% | 0.822 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 135.6 | 175.1 | -175.2 | 177.1 | 172.8 | 0 | 0 | 108 | I157 V161 | I157-E159 PolarHBondContact O-N 2.75Å; E159-V161 PolarHBondContact O-N 2.87Å |
| 160 | L | 66.5 | Low | 63.5 | Low | 167 Ų | 167 | 119.3 Ų | 119.3 | 87% | 0.874 | 67% | 0.667 | S | S | * | * | trans | -65.1 | 81.8 | -179.9 | -67.1 | 172.8 | 0 | 0 | 0 | 109.1 | P158 K162 | P158-L160 PolarHBondContact O-N 2.97Å; L160-K162 PolarHBondContact O-N 3.06Å | ||
| 161 | V | 71.8 | Confident | 63 | Low | 115 Ų | 115 | 121.5 Ų | 121.5 | 70% | 0.697 | 68% | 0.678 | S | S | * | * | trans | -66.4 | 121.6 | 167.4 | 177.9 | 0 | 0 | 0 | 0 | 105.4 | E159 S163 | E159-V161 PolarHBondContact O-N 2.87Å; V161-S163 PolarHBondContact O-N 3.37Å | ||
| 162 | K | 69 | Low | 62.4 | Low | 192 Ų | 192 | 121.9 Ų | 121.9 | 84% | 0.835 | 68% | 0.681 | S | S | * | * | trans | -60.1 | 92.9 | 169.7 | -175.7 | 177.8 | -177.5 | -179.1 | 0 | 107 | L160 G164 | L160-K162 PolarHBondContact O-N 3.06Å; K162-G164 PolarHBondContact O-N 2.87Å | ||
| 163 | S | 61.4 | Low | 62 | Low | 103 Ų | 103 | 124.8 Ų | 124.8 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | trans | -55.7 | 119.2 | 175.1 | -55 | 0 | 0 | 0 | 0 | 106.9 | V161 C165 | V161-S163 PolarHBondContact O-N 3.37Å; S163-C165 PolarHBondContact O-N 3.45Å | ||
| 164 | G | 55.6 | Low | 61.7 | Low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -67.7 | 68.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K162 K166 | K162-G164 PolarHBondContact O-N 2.87Å; G164-K166 PolarHBondContact O-N 2.87Å | ||
| 165 | C | 51.4 | Low | 61.2 | Low | 104 Ų | 104 | 130.3 Ų | 130.3 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | trans | -74.5 | 83.2 | 158 | 172.8 | 0 | 0 | 0 | 0 | 106.1 | S163 V167 | S163-C165 PolarHBondContact O-N 3.45Å; C165-V167 VanDerWaalsContact C-N 3.32Å; C165-V167 PolarHBondContact O-N 3.32Å; C165-V167 WeakPolarHBondContact SG-CG2 3.31Å | ||
| 166 | K | 54.2 | Low | 60.9 | Low | 167 Ų | 167 | 130.1 Ų | 130.1 | 73% | 0.726 | 71% | 0.709 | S | S | * | * | trans | -78.9 | 94.2 | 160.8 | -160.9 | 172.1 | 173.2 | -93.8 | 0 | 104.8 | G164 D168 | G164-K166 PolarHBondContact O-N 2.87Å; K166-D168 VanDerWaalsContact C-N 3.31Å; K166-D168 IonicContact NZ-OD1 2.75Å; K166-D168 PolarHBondContact NZ-OD1 3.49Å; K166-D168 PolarHBondContact O-N 2.9Å; K166-D168 VanDerWaalsContact O-N 3.09Å | ||
| 167 | V | 56.7 | Low | 60.4 | Low | 101 Ų | 101 | 131.5 Ų | 131.5 | 61% | 0.612 | 72% | 0.722 | S | S | * | * | trans | -68.9 | 102.8 | 162.4 | -176.1 | 0 | 0 | 0 | 0 | 104.2 | C165 I169 | C165-V167 VanDerWaalsContact C-N 3.32Å; C165-V167 PolarHBondContact O-N 3.32Å; C165-V167 WeakPolarHBondContact SG-CG2 3.31Å; V167-I169 HydrophobicContact CB-CG1 4.45Å; V167-I169 HydrophobicContact CG1-CG1 3.81Å; V167-I169 PolarHBondContact O-N 2.95Å | ||
| 168 | D | 57.8 | Low | 59.4 | Low | 113 Ų | 113 | 134 Ų | 134 | 60% | 0.604 | 74% | 0.736 | S | S | * | * | trans | -65.6 | 94.3 | 164.5 | -65.6 | -40.2 | 0 | 0 | 0 | 105.8 | K166 E170 | K166-D168 VanDerWaalsContact C-N 3.31Å; K166-D168 IonicContact NZ-OD1 2.75Å; K166-D168 PolarHBondContact NZ-OD1 3.49Å; K166-D168 PolarHBondContact O-N 2.9Å; K166-D168 VanDerWaalsContact O-N 3.09Å; D168-E170 VanDerWaalsContact C-N 3.29Å; D168-E170 PolarHBondContact O-N 3.36Å; D168-E170 VanDerWaalsContact O-N 3.17Å | ||
| 169 | I | 59.6 | Low | 58.3 | Low | 125 Ų | 125 | 132.9 Ų | 132.9 | 64% | 0.641 | 74% | 0.742 | S | S | * | * | trans | -77.4 | 95.9 | 164.3 | -59.4 | 175.6 | 0 | 0 | 0 | 103.9 | V167 T171 | V167-I169 HydrophobicContact CB-CG1 4.45Å; V167-I169 HydrophobicContact CG1-CG1 3.81Å; V167-I169 PolarHBondContact O-N 2.95Å; I169-T171 HydrophobicContact CG2-CG2 4.35Å; I169-T171 PolarHBondContact O-N 3.2Å; I169-T171 PolarHBondContact O-OG1 3.19Å | ||
| 170 | E | 57.8 | Low | 57.2 | Low | 171 Ų | 171 | 130.5 Ų | 130.5 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | -53.5 | 98.8 | 157.3 | -67.4 | 174.8 | 177.2 | 0 | 0 | 106.2 | D168 D172 | D168-E170 VanDerWaalsContact C-N 3.29Å; D168-E170 PolarHBondContact O-N 3.36Å; D168-E170 VanDerWaalsContact O-N 3.17Å; E170-D172 VanDerWaalsContact C-N 3.34Å | ||
| 171 | T | 57.4 | Low | 56.1 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -97.3 | 83.5 | 160.4 | 6.8 | 0 | 0 | 0 | 0 | 103.7 | I169 D173 | I169-T171 HydrophobicContact CG2-CG2 4.35Å; I169-T171 PolarHBondContact O-N 3.2Å; I169-T171 PolarHBondContact O-OG1 3.19Å; T171-D173 PolarHBondContact O-N 3.19Å | ||
| 172 | D | 57.5 | Low | 55.1 | Low | 136 Ų | 136 | 127.6 Ų | 127.6 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -50.8 | 114.7 | 142.1 | -70 | -38.2 | 0 | 0 | 0 | 105.2 | E170 | E170-D172 VanDerWaalsContact C-N 3.34Š| ||
| 173 | D | 60.5 | Low | 53.8 | Low | 142 Ų | 142 | 122.7 Ų | 122.7 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | 172.6 | 93.5 | 153.1 | -80.1 | -25.9 | 0 | 0 | 0 | 108.9 | T171 | T171-D173 PolarHBondContact O-N 3.19Š| ||
| 174 | D | 59.4 | Low | 53.2 | Low | 152 Ų | 152 | 125.7 Ų | 125.7 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | 37.6 | 110.7 | 132.3 | -66.7 | -34 | 0 | 0 | 0 | 120.4 | ||||
| 175 | D | 54.8 | Low | 53.1 | Low | 136 Ų | 136 | 126.3 Ų | 126.3 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | 81.7 | 134.3 | 116.8 | -144.5 | 21.5 | 0 | 0 | 0 | 121.5 | |||||
| 176 | H | 57.4 | Low | 52.9 | Low | 145 Ų | 145 | 125.9 Ų | 125.9 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | trans | 80.4 | 104.4 | 153.1 | -89 | 35.9 | 0 | 0 | 0 | 122.9 | ||||
| 177 | T | 53.4 | Low | 52.4 | Low | 115 Ų | 115 | 128 Ų | 128 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | 87.5 | 114.6 | 123.6 | 60.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 178 | D | 46.4 | Very low | 51.7 | Low | 164 Ų | 164 | 133.6 Ų | 133.6 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | trans | 48.8 | 108.6 | 135.7 | -74.1 | -12 | 0 | 0 | 0 | 121 | ||||
| 179 | G | 48.1 | Very low | 50.9 | Low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | 82.4 | 83.1 | 116.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 180 | T | 44.5 | Very low | 50 | Low | 126 Ų | 126 | 136.7 Ų | 136.7 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -150.3 | 115.7 | 142.5 | -47.6 | 0 | 0 | 0 | 0 | 108.7 | V182 | T180-V182 HydrophobicContact CG2-CG2 4.5Å; T180-V182 PolarHBondContact O-N 3.3Å | ||
| 181 | A | 44.5 | Very low | 49.1 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 88% | 0.884 | 74% | 0.742 | S | S | * | * | trans | -62.9 | 113.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 182 | V | 49.7 | Very low | 48.1 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | -111.8 | 124.9 | 175.8 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | T180 | T180-V182 HydrophobicContact CG2-CG2 4.5Å; T180-V182 PolarHBondContact O-N 3.3Å | ||
| 183 | S | 42.8 | Very low | 47.4 | Very low | 90 Ų | 90 | 135.3 Ų | 135.3 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | trans | -35.8 | 139.7 | -177.5 | -71.1 | 0 | 0 | 0 | 0 | 116.3 | S185 | S183-S185 PolarHBondContact O-N 3.25Š| ||
| 184 | D | 47.9 | Very low | 46.2 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -58.8 | 14.3 | 170.3 | -74.4 | -37.6 | 0 | 0 | 0 | 115.8 | ||
| 185 | S | 53.8 | Low | 45.3 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -87.7 | -9.4 | -178.4 | 57.2 | 0 | 0 | 0 | 0 | 114.9 | S183 | S183-S185 PolarHBondContact O-N 3.25Š|
| 186 | D | 46.5 | Very low | 44.4 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 51% | 0.508 | 73% | 0.728 | S | S | . | * | G | 310 helix | trans | -94.3 | 4.7 | -177 | -76.3 | -9.9 | 0 | 0 | 0 | 114.5 | Y188 S189 | D186-Y188 PolarHBondContact O-N 3.37Å; D186-S189 WeakPolarHBondContact CA-OG 3.02Å; D186-S189 PolarHBondContact O-N 2.66Å; D186-S189 PolarHBondContact O-OG 3.14Å |
| 187 | Y | 44 | Very low | 43.5 | Very low | 210 Ų | 210 | 132 Ų | 132 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -17.6 | -175.3 | -143.7 | -93.5 | 0 | 0 | 0 | 113.9 | ||
| 188 | Y | 42.5 | Very low | 42.7 | Very low | 219 Ų | 219 | 134.8 Ų | 134.8 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -4.8 | 177 | -84.9 | -81.6 | 0 | 0 | 0 | 115 | D186 | D186-Y188 PolarHBondContact O-N 3.37Š|
| 189 | S | 41.6 | Very low | 42.1 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 57% | 0.566 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 1.7 | -175.2 | 37.2 | 0 | 0 | 0 | 0 | 114.4 | D186 | D186-S189 WeakPolarHBondContact CA-OG 3.02Å; D186-S189 PolarHBondContact O-N 2.66Å; D186-S189 PolarHBondContact O-OG 3.14Å |
| 190 | R | 39.2 | Very low | 41.6 | Very low | 222 Ų | 222 | 143.6 Ų | 143.6 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | -112.2 | 47.7 | 171.7 | -64.2 | -160.4 | 170.1 | -164.8 | -1.1 | 113.6 | N192 | R190-N192 PolarHBondContact O-N 2.99Š| ||
| 191 | L | 38.5 | Very low | 41.2 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -71.8 | 76.3 | 143.2 | -100 | 128.6 | 0 | 0 | 0 | 107.4 | I193 | L191-I193 PolarHBondContact O-N 2.96Š| ||
| 192 | N | 37.7 | Very low | 40.8 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -65.2 | 94.7 | 165 | -148.8 | 15.8 | 0 | 0 | 0 | 104.9 | R190 P194 | R190-N192 PolarHBondContact O-N 2.99Å; N192-P194 WeakPolarHBondContact O-CD 3.41Å; N192-P194 VanDerWaalsContact O-N 3.16Å | ||
| 193 | I | 41.7 | Very low | 40.2 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 55% | 0.549 | 74% | 0.743 | S | S | . | * | trans | -68.6 | 102.4 | 172.4 | -58.4 | 171.4 | 0 | 0 | 0 | 105.4 | L191 G195 | L191-I193 PolarHBondContact O-N 2.96Å; I193-G195 PolarHBondContact O-N 2.87Å | ||
| 194 | P | 36.7 | Very low | 40 | Very low | 129 Ų | 129 | 150.6 Ų | 150.6 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 98.7 | 170.7 | 6.1 | 17.3 | 0 | 0 | 0 | 104.2 | N192 | N192-P194 WeakPolarHBondContact O-CD 3.41Å; N192-P194 VanDerWaalsContact O-N 3.16Å |
| 195 | G | 39.1 | Very low | 39.5 | Very low | 60 Ų | 60 | 148 Ų | 148 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.5 | 29.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | I193 R197 | I193-G195 PolarHBondContact O-N 2.87Å; G195-R197 PolarHBondContact O-N 2.72Å |
| 196 | S | 35.5 | Very low | 38.8 | Very low | 94 Ų | 94 | 153.2 Ų | 153.2 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -66.4 | 58.7 | 150.3 | 54.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 197 | R | 38.3 | Very low | 38.3 | Very low | 221 Ų | 221 | 152.6 Ų | 152.6 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -128.8 | 91.3 | 167.3 | -79.7 | -170.2 | 164.8 | -143 | -1.6 | 107.3 | G195 R199 | G195-R197 PolarHBondContact O-N 2.72Å; R197-R199 PolarHBondContact O-N 3.33Å | ||
| 198 | Q | 36.9 | Very low | 37.9 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 27.9 | 94.4 | 141.6 | -66.5 | 177.9 | -29.5 | 0 | 0 | 115 | K200 | Q198-K200 PolarHBondContact O-N 2.9Š| ||
| 199 | R | 35.4 | Very low | 37.6 | Very low | 248 Ų | 248 | 140.2 Ų | 140.2 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | trans | -80.4 | 74.3 | 149.5 | -84.2 | -167.7 | -94.1 | -163.3 | -4.3 | 108.6 | R197 I201 | R197-R199 PolarHBondContact O-N 3.33Å; R199-I201 PolarHBondContact O-N 3Å | ||
| 200 | K | 37 | Very low | 37.4 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -73.4 | 106.6 | 160.6 | -145.4 | 177.8 | -167.9 | -174.3 | 0 | 105.5 | Q198 S202 | Q198-K200 PolarHBondContact O-N 2.9Å; K200-S202 VanDerWaalsContact C-N 3.27Å; K200-S202 PolarHBondContact O-N 3.44Å | ||
| 201 | I | 35 | Very low | 37.4 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -63.1 | 96.4 | 169.4 | -62.3 | 168 | 0 | 0 | 0 | 106 | R199 | R199-I201 PolarHBondContact O-N 3Š| ||
| 202 | S | 35.9 | Very low | 37.1 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | trans | -109.4 | 100 | 175.6 | 167.3 | 0 | 0 | 0 | 0 | 107.8 | K200 K204 | K200-S202 VanDerWaalsContact C-N 3.27Å; K200-S202 PolarHBondContact O-N 3.44Å; S202-K204 PolarHBondContact O-N 3.34Å | ||
| 203 | T | 38.7 | Very low | 37.1 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -66.6 | 105.7 | 164.5 | 45.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 204 | K | 37.4 | Very low | 36.7 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -148.1 | 105.3 | 161.8 | -150.7 | 167.9 | -177.7 | 177.3 | 0 | 112.5 | S202 | S202-K204 PolarHBondContact O-N 3.34Š| ||
| 205 | S | 37.6 | Very low | 36.7 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -50.3 | 133.5 | 160.9 | 163.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 206 | K | 40.3 | Very low | 36.7 | Very low | 202 Ų | 202 | 153.3 Ų | 153.3 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | trans | -177.7 | 111 | 132 | -107.2 | 175.1 | 175.2 | 179.4 | 0 | 111.8 | ||||
| 207 | G | 36.1 | Very low | 36.7 | Very low | 82 Ų | 82 | 154 Ų | 154 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | 69.2 | 118.9 | 125.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 208 | G | 35 | Very low | 36.9 | Very low | 87 Ų | 87 | 148.4 Ų | 148.4 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | 117.6 | 125.8 | 134.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 209 | G | 35.9 | Very low | 36.7 | Very low | 81 Ų | 81 | 146.9 Ų | 146.9 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 131.9 | 76.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 210 | S | 36.6 | Very low | 36.7 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -58.6 | 140.5 | 164.8 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 211 | R | 39.1 | Very low | 36.6 | Very low | 244 Ų | 244 | 140.3 Ų | 140.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | -171.8 | 122 | 127.9 | -99 | 170.7 | -139.1 | -131.8 | 9.2 | 111.5 | |||||
| 212 | R | 32.3 | Very low | 36.5 | Very low | 249 Ų | 249 | 140.4 Ų | 140.4 | 94% | 0.94 | 81% | 0.808 | S | S | * | * | trans | -68.9 | 147.7 | 167.3 | -74 | 173.2 | 164.6 | -166.1 | -5.4 | 110.5 | ||||
| 213 | G | 37.8 | Very low | 36.6 | Very low | 78 Ų | 78 | 144.2 Ų | 144.2 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -151 | 98.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 214 | S | 34.6 | Very low | 36.5 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | trans | -102.5 | 126.5 | 170.9 | 50.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 215 | F | 36.6 | Very low | 36.4 | Very low | 214 Ų | 214 | 145.8 Ų | 145.8 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | trans | -142.1 | 119.5 | 159 | -84.7 | -75.6 | 0 | 0 | 0 | 110.5 | ||||
| 216 | L | 38.5 | Very low | 36 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -80.2 | 154.9 | 172.2 | -79.9 | 151.5 | 0 | 0 | 0 | 110.5 | ||||
| 217 | S | 36.8 | Very low | 35.7 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | 89.1 | 152.4 | 134.6 | -87 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 218 | P | 42.4 | Very low | 35.4 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | trans | -131.4 | -161.7 | -130.3 | 38.6 | -17 | 0 | 0 | 0 | 113.4 | ||||
| 219 | N | 31.4 | Very low | 35.4 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 97.3 | 110.2 | 162.8 | -65.1 | -10.7 | 0 | 0 | 0 | 117.9 | ||||
| 220 | S | 34.8 | Very low | 35.5 | Very low | 92 Ų | 92 | 151.7 Ų | 151.7 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | -152.5 | 108.3 | 129.5 | 71.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 221 | Y | 36.4 | Very low | 35.1 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -2.5 | 124.2 | 143.2 | 31 | -91 | 0 | 0 | 0 | 117.4 | ||||
| 222 | D | 33.4 | Very low | 34.7 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | -161.8 | 118.1 | 126.3 | -105.9 | -22.5 | 0 | 0 | 0 | 109.3 | |||||
| 223 | E | 36.5 | Very low | 34.9 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -84.2 | 134.7 | 169.5 | -65.9 | -142 | 165.2 | 0 | 0 | 109.1 | ||||
| 224 | N | 36.6 | Very low | 34.6 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 177.3 | 136.4 | 137.4 | -90.8 | -38.2 | 0 | 0 | 0 | 111.1 | ||||
| 225 | Y | 35.5 | Very low | 34.7 | Very low | 215 Ų | 215 | 145 Ų | 145 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | 73.3 | 96 | 168.8 | -63.3 | -75.8 | 0 | 0 | 0 | 118.9 | S227 | Y225-S227 PolarHBondContact O-N 2.81Š| ||
| 226 | L | 30 | Very low | 34.9 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 88% | 0.88 | 75% | 0.754 | S | S | * | * | trans | -36.2 | 113.4 | 148 | -166.6 | 75.6 | 0 | 0 | 0 | 112.7 | ||||
| 227 | S | 32.9 | Very low | 34.7 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | -158.5 | 109.9 | 148.4 | -77.8 | 0 | 0 | 0 | 0 | 107 | Y225 P229 | Y225-S227 PolarHBondContact O-N 2.81Å; S227-P229 WeakPolarHBondContact O-CD 3.35Å | ||
| 228 | T | 30.5 | Very low | 34.9 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 117.5 | 168.4 | 35.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 229 | P | 33.8 | Very low | 34.8 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 128.5 | 172.6 | 30.2 | -27.3 | 0 | 0 | 0 | 109.1 | S227 | S227-P229 WeakPolarHBondContact O-CD 3.35Š|
| 230 | H | 38.4 | Very low | 35.6 | Very low | 169 Ų | 169 | 143 Ų | 143 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135.9 | 170.6 | -56.3 | -91.7 | 0 | 0 | 0 | 110.3 | ||
| 231 | T | 29.4 | Very low | 36.2 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | trans | 36 | 92.3 | 140.1 | -45.9 | 0 | 0 | 0 | 0 | 116.4 | E233 | T231-E233 VanDerWaalsContact C-N 3.33Å; T231-E233 HydrophobicContact CG2-CB 3.97Å; T231-E233 HydrophobicContact CG2-CG 3.57Å; T231-E233 PolarHBondContact O-N 3.48Å | ||
| 232 | F | 31 | Very low | 36.6 | Very low | 198 Ų | 198 | 144.8 Ų | 144.8 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | -84.3 | 86.2 | 150.3 | -171.4 | -97.3 | 0 | 0 | 0 | 107.1 | S234 | F232-S234 PolarHBondContact O-N 3.42Š| ||
| 233 | E | 35.5 | Very low | 37.6 | Very low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | trans | -70.5 | 111.3 | 167.3 | -103.6 | 178.5 | -166.3 | 0 | 0 | 107.9 | T231 | T231-E233 VanDerWaalsContact C-N 3.33Å; T231-E233 HydrophobicContact CG2-CB 3.97Å; T231-E233 HydrophobicContact CG2-CG 3.57Å; T231-E233 PolarHBondContact O-N 3.48Å | ||
| 234 | S | 32.2 | Very low | 38.5 | Very low | 53 Ų | 53 | 140.9 Ų | 140.9 | 37% | 0.371 | 74% | 0.738 | S | S | . | * | trans | -71.2 | 134.2 | 166.7 | 174.9 | 0 | 0 | 0 | 0 | 108 | F232 M236 | F232-S234 PolarHBondContact O-N 3.42Å; S234-M236 PolarHBondContact O-N 2.96Å | ||
| 235 | P | 36.6 | Very low | 39.3 | Very low | 133 Ų | 133 | 137 Ų | 137 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 25.4 | -178.4 | -16.1 | 30.1 | 0 | 0 | 0 | 115.2 | ||
| 236 | M | 40.5 | Very low | 40.3 | Very low | 136 Ų | 136 | 131 Ų | 131 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | 28.6 | -169.3 | -93 | -89.9 | 61 | 0 | 0 | 114.4 | S234 | S234-M236 PolarHBondContact O-N 2.96Š|
| 237 | D | 35.1 | Very low | 41.5 | Very low | 112 Ų | 112 | 129 Ų | 129 | 60% | 0.599 | 70% | 0.701 | S | S | * | * | trans | -100.2 | 11.8 | -171.7 | -55.5 | 0.4 | 0 | 0 | 0 | 113.2 | E239 | D237-E239 VanDerWaalsContact C-N 3.33Å; D237-E239 PolarHBondContact O-N 3.21Å | ||
| 238 | N | 39.4 | Very low | 42 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 87% | 0.866 | 69% | 0.687 | S | S | * | * | trans | -92.8 | 35.4 | 175.2 | -87.3 | 11.9 | 0 | 0 | 0 | 113.4 | T240 | N238-T240 PolarHBondContact O-N 3.24Š| ||
| 239 | E | 40 | Very low | 42.6 | Very low | 167 Ų | 167 | 131 Ų | 131 | 78% | 0.78 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 122.8 | 166.9 | -78.1 | -165.8 | 146.6 | 0 | 0 | 109.8 | D237 | D237-E239 VanDerWaalsContact C-N 3.33Å; D237-E239 PolarHBondContact O-N 3.21Å |
| 240 | T | 48.7 | Very low | 42.6 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -50 | 126.7 | 176.9 | -40.8 | 0 | 0 | 0 | 0 | 109.6 | N238 W242 | N238-T240 PolarHBondContact O-N 3.24Å; T240-W242 PolarHBondContact O-N 2.99Å; T240-W242 VanDerWaalsContact O-N 3.14Å |
| 241 | P | 47.1 | Very low | 42.9 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -57 | 124.2 | 179.8 | -22.1 | 31.4 | 0 | 0 | 0 | 109.3 | ||
| 242 | W | 45.6 | Very low | 43.3 | Very low | 205 Ų | 205 | 141.5 Ų | 141.5 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 139.7 | 167.6 | -71.8 | 94.8 | 0 | 0 | 0 | 108.8 | T240 E244 | T240-W242 PolarHBondContact O-N 2.99Å; T240-W242 VanDerWaalsContact O-N 3.14Å; W242-E244 PolarHBondContact O-N 3.28Å |
| 243 | P | 55 | Low | 43.5 | Very low | 66 Ų | 66 | 137.7 Ų | 137.7 | 43% | 0.429 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 117.6 | 178.5 | -28.7 | 39.1 | 0 | 0 | 0 | 109.5 | Y145 L156 L245 | Y145-P243 WeakPolarHBondContact OH-CB 3.28Å; Y145-P243 WeakPolarHBondContact OH-CG 3.34Å; L156-P243 HydrophobicContact CD2-CG 4.42Å; P243-L245 PolarHBondContact O-N 2.8Å |
| 244 | E | 54.4 | Low | 43.8 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 91% | 0.907 | 70% | 0.695 | S | S | * | * | trans | -63.3 | 106.4 | -179.4 | -163.8 | 171.9 | -170 | 0 | 0 | 107.5 | W242 | W242-E244 PolarHBondContact O-N 3.28Š| ||
| 245 | L | 52.8 | Low | 44 | Very low | 59 Ų | 59 | 141.6 Ų | 141.6 | 31% | 0.309 | 72% | 0.718 | S | S | . | * | trans | -59.7 | 142.4 | 174.9 | -70.1 | 170.7 | 0 | 0 | 0 | 108.1 | Y145 P243 | Y145-L245 HydrophobicContact CD1-CD2 4.33Å; Y145-L245 HydrophobicContact CD2-CD2 3.58Å; Y145-L245 HydrophobicContact CE2-CD2 4.08Å; Y145-L245 HydrophobicContact CG-CD2 3.74Å; P243-L245 PolarHBondContact O-N 2.8Å | ||
| 246 | P | 56.8 | Low | 44.4 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 59% | 0.591 | 71% | 0.711 | S | S | * | * | trans | -51.1 | 137.4 | 178.5 | 21.3 | -32.3 | 0 | 0 | 0 | 109.2 | T248 | P246-T248 PolarHBondContact O-N 3.31Š| ||
| 247 | P | 54.8 | Low | 44.3 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | trans | -54.7 | 111.6 | -170.9 | 20.9 | -32.4 | 0 | 0 | 0 | 108.4 | R249 | P247-R249 PolarHBondContact O-N 3.11Š| ||
| 248 | T | 44.4 | Very low | 44.1 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 45% | 0.448 | 73% | 0.728 | S | S | . | * | trans | -61.3 | 113 | 167.8 | -38 | 0 | 0 | 0 | 0 | 103.8 | E137 P246 Q250 | E137-T248 WeakPolarHBondContact OE2-CG2 3.45Å; P246-T248 PolarHBondContact O-N 3.31Å; T248-Q250 PolarHBondContact O-N 3.19Å | ||
| 249 | R | 42.3 | Very low | 44.2 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -47.1 | 98.4 | -170.3 | -171.5 | -177.3 | -167.9 | -162.3 | 4 | 108.9 | P247 R251 | P247-R249 PolarHBondContact O-N 3.11Å; R249-R251 PolarHBondContact O-N 3.3Å | ||
| 250 | Q | 35.6 | Very low | 43.9 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | trans | -59.4 | 95 | 171.6 | -90.5 | -173.9 | -30.3 | 0 | 0 | 106.3 | T248 R252 | T248-Q250 PolarHBondContact O-N 3.19Å; Q250-R252 PolarHBondContact O-N 2.99Å | ||
| 251 | R | 43.6 | Very low | 43.2 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | trans | -74.4 | 117.5 | 168.7 | -82.7 | -170.2 | 164.1 | -164 | -1.9 | 105.8 | R249 | R249-R251 PolarHBondContact O-N 3.3Š| ||
| 252 | R | 38.3 | Very low | 42.7 | Very low | 226 Ų | 226 | 141.4 Ų | 141.4 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -49.1 | 144.3 | 171.2 | -66.4 | -179.8 | 177.8 | 173.8 | -1.6 | 109.3 | Q250 S254 | Q250-R252 PolarHBondContact O-N 2.99Å; R252-S254 PolarHBondContact O-N 3.42Å | ||
| 253 | P | 35.4 | Very low | 42.3 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -57.5 | 112 | 173.8 | -14.5 | 26.6 | 0 | 0 | 0 | 108.1 | H255 | P253-H255 PolarHBondContact O-N 3.05Å; P253-H255 VanDerWaalsContact O-N 3.15Å | ||
| 254 | S | 42 | Very low | 41.5 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -80.8 | 96.5 | 175.1 | 53.4 | 0 | 0 | 0 | 0 | 108.2 | R252 T256 | R252-S254 PolarHBondContact O-N 3.42Å; S254-T256 PolarHBondContact O-N 2.61Å | ||
| 255 | H | 36 | Very low | 40.4 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -59.6 | 90.6 | 155.7 | -80.6 | -85.9 | 0 | 0 | 0 | 108.8 | P253 | P253-H255 PolarHBondContact O-N 3.05Å; P253-H255 VanDerWaalsContact O-N 3.15Å | ||
| 256 | T | 44.5 | Very low | 39.5 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | -137.3 | 105.9 | 162.1 | 44.8 | 0 | 0 | 0 | 0 | 108.5 | S254 | S254-T256 PolarHBondContact O-N 2.61Š| ||
| 257 | A | 39.1 | Very low | 38.3 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -56.4 | 138.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 258 | F | 30.2 | Very low | 37.4 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | 29.9 | 121.6 | 147.7 | -77 | -93.5 | 0 | 0 | 0 | 118.7 | ||||
| 259 | I | 42.2 | Very low | 37.1 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | -157.5 | 111 | 123.7 | -93.5 | 144.5 | 0 | 0 | 0 | 108.7 | |||||
| 260 | G | 34 | Very low | 36.7 | Very low | 65 Ų | 65 | 144.7 Ų | 144.7 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | 50.3 | 119 | 128.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 261 | S | 34.1 | Very low | 36.7 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 85.7 | 102 | 134.6 | -130.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 262 | L | 35.4 | Very low | 36 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -110.4 | 96.8 | 151.3 | -174.1 | 66.3 | 0 | 0 | 0 | 107.9 | ||||
| 263 | E | 37 | Very low | 35.8 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -70 | 134 | 170.7 | -170.1 | 171.6 | -178.7 | 0 | 0 | 109.8 | A265 | E263-A265 PolarHBondContact O-N 2.84Š| ||
| 264 | V | 37.9 | Very low | 35.4 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -63.6 | 120.3 | 175.7 | 164 | 0 | 0 | 0 | 0 | 109.2 | G266 | V264-G266 PolarHBondContact O-N 2.64Š| ||
| 265 | A | 32.2 | Very low | 34.9 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -66.2 | 91.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E263 | E263-A265 PolarHBondContact O-N 2.84Š| ||
| 266 | G | 34.8 | Very low | 34.6 | Very low | 63 Ų | 63 | 137.1 Ų | 137.1 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | trans | -96.5 | 116.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V264 T268 | V264-G266 PolarHBondContact O-N 2.64Å; G266-T268 PolarHBondContact O-N 3.47Å | ||
| 267 | A | 30.7 | Very low | 34.4 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -64.9 | 117 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 268 | T | 36.1 | Very low | 34 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -162.7 | 114.7 | 152 | 28.7 | 0 | 0 | 0 | 0 | 111.9 | G266 | G266-T268 PolarHBondContact O-N 3.47Š| ||
| 269 | K | 37.8 | Very low | 34.3 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | 38 | 116.9 | 145.2 | -67.6 | -177.3 | 175.3 | -178.2 | 0 | 120.6 | ||||
| 270 | E | 33 | Very low | 33.8 | Very low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | 58 | 121.3 | 130.8 | -60.4 | 177.6 | -160.1 | 0 | 0 | 119.5 | ||||
| 271 | G | 36 | Very low | 33.6 | Very low | 72 Ų | 72 | 136.4 Ų | 136.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 144.4 | 68.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | L273 | G271-L273 PolarHBondContact O-N 3.47Š| ||
| 272 | N | 29.6 | Very low | 33.7 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 11.6 | 98.2 | 142.1 | -167.9 | 21 | 0 | 0 | 0 | 117.9 | ||||
| 273 | L | 34.4 | Very low | 33.8 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | trans | -145.6 | 127.3 | 152.7 | -75.5 | -178.3 | 0 | 0 | 0 | 111.7 | G271 | G271-L273 PolarHBondContact O-N 3.47Š| ||
| 274 | K | 27 | Very low | 33.8 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -113.5 | 112.4 | -167.9 | 177.8 | -175.1 | -172.4 | -178.4 | 0 | 107.7 | ||||
| 275 | L | 31.6 | Very low | 33.6 | Very low | 177 Ų | 177 | 134 Ų | 134 | 93% | 0.927 | 79% | 0.79 | S | S | * | * | trans | -146.5 | 108.4 | 168.5 | -78.2 | 173.6 | 0 | 0 | 0 | 110.9 | ||||
| 276 | S | 29.3 | Very low | 33.9 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -78.9 | 163.9 | 161.1 | -31.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 277 | P | 39.7 | Very low | 33.8 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -138.1 | 142.3 | 125.3 | 28.6 | -11.3 | 0 | 0 | 0 | 114.8 | |||||
| 278 | S | 31.3 | Very low | 34 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -61 | 154 | 163.6 | 48.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 279 | L | 35.3 | Very low | 34.2 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | 171.8 | 115.9 | 106.5 | -90.9 | 168.6 | 0 | 0 | 0 | 114 | |||||
| 280 | H | 31.9 | Very low | 33.8 | Very low | 166 Ų | 166 | 141 Ų | 141 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | 40.3 | 123.2 | 129.7 | -70.3 | -42.1 | 0 | 0 | 0 | 125.6 | |||||
| 281 | S | 29.7 | Very low | 34.2 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | 85.9 | 119.1 | 119.2 | 77.8 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 282 | L | 37.5 | Very low | 34.2 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | 179.3 | 120.5 | 94.7 | -94.2 | 160.6 | 0 | 0 | 0 | 113.7 | |||||
| 283 | T | 36.1 | Very low | 34.9 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | 72.8 | 143.8 | 140.2 | 41.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 284 | P | 37.1 | Very low | 35.1 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | trans | -117.1 | 168.2 | -154.7 | 41.3 | -26.2 | 0 | 0 | 0 | 113.7 | ||||
| 285 | D | 33.9 | Very low | 36 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | trans | -172.8 | 143.9 | 138.5 | -96.1 | -25.5 | 0 | 0 | 0 | 113.5 | ||||
| 286 | Q | 39.2 | Very low | 36.3 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | 80.3 | 85.6 | 166 | -70.2 | -170.1 | -23.7 | 0 | 0 | 122.3 | ||||
| 287 | Q | 32.2 | Very low | 36.9 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | 74.4 | 91.1 | 108.2 | -158.5 | 154.2 | -2.7 | 0 | 0 | 122.1 | |||||
| 288 | S | 36.2 | Very low | 37 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | trans | 69.5 | 157.2 | 132.3 | 70.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 289 | P | 39.5 | Very low | 37.4 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | cis | -126.3 | 147.4 | -25.2 | 33.1 | -15.3 | 0 | 0 | 0 | 114.4 | ||||
| 290 | H | 29.8 | Very low | 37.9 | Very low | 180 Ų | 180 | 128.5 Ų | 128.5 | 83% | 0.833 | 71% | 0.706 | S | S | * | * | trans | 33.1 | 109.9 | 142.4 | -65.9 | -86.5 | 0 | 0 | 0 | 120.3 | ||||
| 291 | L | 40.2 | Very low | 38.5 | Very low | 174 Ų | 174 | 122.8 Ų | 122.8 | 91% | 0.911 | 69% | 0.691 | S | S | * | * | -162.7 | 134.2 | 129.4 | -103.5 | 142.8 | 0 | 0 | 0 | 111.7 | |||||
| 292 | H | 36.5 | Very low | 39.3 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 57% | 0.565 | 68% | 0.682 | S | S | * | * | trans | -64.4 | 144.1 | -163.1 | -155.8 | -98.5 | 0 | 0 | 0 | 114.3 | D294 T295 | H292-D294 IonicContact CE1-OD2 2.98Å; H292-D294 PolarHBondContact CE1-OD2 3.44Å; H292-D294 WeakPolarHBondContact ND1-CB 3.3Å; H292-D294 VanDerWaalsContact ND1-CG 3.32Å; H292-D294 IonicContact ND1-OD1 3.92Å; H292-D294 IonicContact ND1-OD2 3.21Å; H292-D294 PolarHBondContact ND1-OD2 3.33Å; H292-D294 PolarHBondContact O-N 2.82Å; H292-T295 PolarHBondContact O-OG1 3.44Å | ||
| 293 | P | 43.9 | Very low | 39.5 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 69% | 0.688 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 6 | -176.1 | 30.2 | -34.6 | 0 | 0 | 0 | 115.4 | ||
| 294 | D | 38.4 | Very low | 40.1 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 52% | 0.519 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.5 | 3 | -171.5 | -67.5 | -4 | 0 | 0 | 0 | 114.5 | H292 | H292-D294 IonicContact CE1-OD2 2.98Å; H292-D294 PolarHBondContact CE1-OD2 3.44Å; H292-D294 WeakPolarHBondContact ND1-CB 3.3Å; H292-D294 VanDerWaalsContact ND1-CG 3.32Å; H292-D294 IonicContact ND1-OD1 3.92Å; H292-D294 IonicContact ND1-OD2 3.21Å; H292-D294 PolarHBondContact ND1-OD2 3.33Å; H292-D294 PolarHBondContact O-N 2.82Å |
| 295 | T | 45.9 | Very low | 40.7 | Very low | 96 Ų | 96 | 121.1 Ų | 121.1 | 59% | 0.589 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -90.5 | -11.8 | -179.6 | 18.5 | 0 | 0 | 0 | 0 | 114.4 | H292 | H292-T295 PolarHBondContact O-OG1 3.44Š|
| 296 | L | 37.7 | Very low | 41.2 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -88.4 | -23.2 | -177.2 | -64.6 | -176.1 | 0 | 0 | 0 | 114.1 | T298 | L296-T298 VanDerWaalsContact C-N 3.33Å |
| 297 | I | 42.8 | Very low | 41.5 | Very low | 140 Ų | 140 | 121 Ų | 121 | 72% | 0.718 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.7 | -23.9 | 179.1 | -61.5 | 175.3 | 0 | 0 | 0 | 111 | ||
| 298 | T | 42.7 | Very low | 42.2 | Very low | 102 Ų | 102 | 115.1 Ų | 115.1 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -84.6 | -22.5 | 179.7 | -49.5 | 0 | 0 | 0 | 0 | 113.4 | L296 S302 | L296-T298 VanDerWaalsContact C-N 3.33Å; T298-S302 WeakPolarHBondContact O-CB 3.34Å; T298-S302 PolarHBondContact O-N 3.36Å; T298-S302 PolarHBondContact O-OG 3.35Å |
| 299 | S | 39.8 | Very low | 42.8 | Very low | 69 Ų | 69 | 114.9 Ų | 114.9 | 48% | 0.483 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -78.8 | -37.8 | -179 | 174 | 0 | 0 | 0 | 0 | 113.1 | S302 S303 | S299-S302 PolarHBondContact O-OG 3.37Å; S299-S302 VanDerWaalsContact O-OG 3.13Å; S299-S303 PolarHBondContact O-N 3.48Å |
| 300 | I | 44.6 | Very low | 43.2 | Very low | 121 Ų | 121 | 119 Ų | 119 | 62% | 0.621 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77 | -33.1 | 177.3 | -60.7 | 168.9 | 0 | 0 | 0 | 110.7 | L304 | I300-L304 HydrophobicContact CG2-CD1 4.38Å; I300-L304 WeakPolarHBondContact O-CD1 3.47Å; I300-L304 PolarHBondContact O-N 3.13Å |
| 301 | G | 45.6 | Very low | 43.9 | Very low | 45 Ų | 45 | 116.5 Ų | 116.5 | 46% | 0.464 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -70.2 | -32 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H305 | G301-H305 PolarHBondContact O-N 3.32Å |
| 302 | S | 45.2 | Very low | 44 | Very low | 68 Ų | 68 | 119 Ų | 119 | 48% | 0.476 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -80.9 | -27.9 | -178.7 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | T298 S299 | T298-S302 WeakPolarHBondContact O-CB 3.34Å; T298-S302 PolarHBondContact O-N 3.36Å; T298-S302 PolarHBondContact O-OG 3.35Å; S299-S302 PolarHBondContact O-OG 3.37Å; S299-S302 VanDerWaalsContact O-OG 3.13Å |
| 303 | S | 43.1 | Very low | 44.1 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 60% | 0.601 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76 | -35.7 | 173.6 | -73.3 | 0 | 0 | 0 | 0 | 113.1 | S299 R306 L307 | S299-S303 PolarHBondContact O-N 3.48Å; S303-R306 PolarHBondContact O-N 3.43Å; S303-L307 PolarHBondContact O-N 3.19Å |
| 304 | L | 46.9 | Very low | 43.7 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.4 | -32.6 | 173.9 | -99.3 | 97.2 | 0 | 0 | 0 | 112.9 | I300 R306 L307 G308 | I300-L304 HydrophobicContact CG2-CD1 4.38Å; I300-L304 WeakPolarHBondContact O-CD1 3.47Å; I300-L304 PolarHBondContact O-N 3.13Å; L304-R306 PolarHBondContact O-N 2.78Å; L304-L307 PolarHBondContact O-N 3.31Å; L304-G308 PolarHBondContact O-N 2.98Å |
| 305 | H | 50.1 | Low | 43.6 | Very low | 160 Ų | 160 | 126.1 Ų | 126.1 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.2 | -16.9 | 178.6 | -148.1 | -97.2 | 0 | 0 | 0 | 113.1 | G301 | G301-H305 PolarHBondContact O-N 3.32Å |
| 306 | R | 45.5 | Very low | 43.2 | Very low | 224 Ų | 224 | 129.8 Ų | 129.8 | 85% | 0.845 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -95.1 | -19.9 | 178.8 | -145.6 | 171 | -173.7 | -134.6 | 2.8 | 113.5 | S303 L304 | S303-R306 PolarHBondContact O-N 3.43Å; L304-R306 PolarHBondContact O-N 2.78Å |
| 307 | L | 43.7 | Very low | 42.8 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 60% | 0.597 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -88.4 | -22.4 | 176.6 | -147.5 | 75.9 | 0 | 0 | 0 | 112.8 | S303 L304 S309 | S303-L307 PolarHBondContact O-N 3.19Å; L304-L307 PolarHBondContact O-N 3.31Å; L307-S309 VanDerWaalsContact C-N 3.32Å; L307-S309 PolarHBondContact O-N 3Å |
| 308 | G | 47.5 | Very low | 42.2 | Very low | 43 Ų | 43 | 133.9 Ų | 133.9 | 44% | 0.443 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.7 | -10.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | L304 | L304-G308 PolarHBondContact O-N 2.98Š|
| 309 | S | 50 | Low | 41.6 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -10.5 | -173.4 | -62.5 | 0 | 0 | 0 | 0 | 115.3 | L307 | L307-S309 VanDerWaalsContact C-N 3.32Å; L307-S309 PolarHBondContact O-N 3Å |
| 310 | K | 46.3 | Very low | 41.5 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -107.9 | -3 | -179 | -77.3 | -178.5 | 174.8 | 179.8 | 0 | 114.9 | ||
| 311 | I | 45.3 | Very low | 41.6 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -94.3 | -4.3 | -178.9 | -61.3 | 173.4 | 0 | 0 | 0 | 112.7 | K313 | I311-K313 VanDerWaalsContact C-N 3.29Å; I311-K313 PolarHBondContact O-N 3.21Å |
| 312 | R | 42.6 | Very low | 41.4 | Very low | 227 Ų | 227 | 142.8 Ų | 142.8 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 11 | 177.2 | -64.2 | -170.1 | -166 | -170.1 | 3.2 | 115.6 | ||
| 313 | K | 38.3 | Very low | 40.8 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 7.7 | -176.9 | -115.6 | 174.5 | -179.9 | 178.2 | 0 | 115.3 | I311 | I311-K313 VanDerWaalsContact C-N 3.29Å; I311-K313 PolarHBondContact O-N 3.21Å |
| 314 | L | 35.1 | Very low | 40.5 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -134.2 | 55.3 | 178.6 | -64.2 | 172.6 | 0 | 0 | 0 | 111 | ||||
| 315 | S | 37.8 | Very low | 39.9 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -123.9 | 77.8 | 159.1 | 71.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 316 | L | 37 | Very low | 39.2 | Very low | 174 Ų | 174 | 151.4 Ų | 151.4 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -75.5 | 124.1 | 169 | -148.7 | 76.9 | 0 | 0 | 0 | 107.9 | ||||
| 317 | S | 29 | Very low | 38.8 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 67.9 | 84.8 | 149 | -151.8 | 0 | 0 | 0 | 0 | 119 | ||
| 318 | R | 30.5 | Very low | 38.3 | Very low | 245 Ų | 245 | 147.3 Ų | 147.3 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | trans | -164.3 | 74.7 | 138.1 | -157.1 | 164.3 | 176.7 | -168.9 | -2.4 | 111.6 | ||||
| 319 | S | 30.7 | Very low | 37.8 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -98.4 | 110.4 | 168.8 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 320 | N | 37.9 | Very low | 37.1 | Very low | 159 Ų | 159 | 155.7 Ų | 155.7 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -140 | 93.2 | 160.9 | -92.3 | -9.8 | 0 | 0 | 0 | 107.6 | ||||
| 321 | T | 45.8 | Very low | 36.6 | Very low | 128 Ų | 128 | 152.8 Ų | 152.8 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -128.2 | 118.1 | 163.4 | 48.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 322 | P | 41.3 | Very low | 36.1 | Very low | 129 Ų | 129 | 152.1 Ų | 152.1 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -78.4 | 132.5 | 175.5 | 30.8 | -29.9 | 0 | 0 | 0 | 110.3 | ||||
| 323 | V | 32.4 | Very low | 35.8 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 71% | 0.709 | 80% | 0.803 | S | S | * | * | trans | -63.1 | 129.5 | 173.4 | 173.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 324 | I | 37.9 | Very low | 35.6 | Very low | 155 Ų | 155 | 146 Ų | 146 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | trans | -117.4 | 106.7 | 155.5 | -64.9 | -178.8 | 0 | 0 | 0 | 106.9 | ||||
| 325 | H | 33.5 | Very low | 35.9 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -68.2 | 122.1 | 157.8 | -98.4 | -105.2 | 0 | 0 | 0 | 107.5 | ||||
| 326 | E | 36 | Very low | 35.8 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -122 | 121 | 155.4 | -156 | 173 | 178 | 0 | 0 | 108.5 | ||||
| 327 | L | 36.4 | Very low | 35.7 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | trans | -73.5 | 136.7 | -175.4 | -76.1 | 155.3 | 0 | 0 | 0 | 109.8 | ||||
| 328 | T | 33.9 | Very low | 36.1 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | 41.5 | 107.1 | 137.8 | 63.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 329 | N | 35.6 | Very low | 36.3 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | -152.2 | 122 | 119.2 | -112.5 | -13.4 | 0 | 0 | 0 | 112 | |||||
| 330 | L | 36.8 | Very low | 36.3 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -73.9 | 149.2 | 173.3 | -87 | 155 | 0 | 0 | 0 | 109.9 | ||||
| 331 | N | 34.5 | Very low | 36.2 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | 89 | 124.5 | 144.2 | -71.3 | -3.8 | 0 | 0 | 0 | 119.8 | ||||
| 332 | T | 36.1 | Very low | 35.7 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 88.4 | 98.4 | 132.7 | 48.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 333 | E | 36 | Very low | 35.3 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | 98.9 | 105.9 | 116 | -138.4 | 154.9 | 144.2 | 0 | 0 | 117.7 | |||||
| 334 | S | 34 | Very low | 35.6 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -60.7 | -175.9 | 157.9 | -48.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 335 | P | 40.5 | Very low | 35.7 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | cis | -129.2 | -167.7 | -36.2 | 25.5 | -2.3 | 0 | 0 | 0 | 111.2 | ||||
| 336 | D | 36 | Very low | 36 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | trans | 102.7 | 114 | 151.8 | -69.7 | -14.3 | 0 | 0 | 0 | 121.1 | ||||
| 337 | R | 36.1 | Very low | 36.2 | Very low | 221 Ų | 221 | 134 Ų | 134 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | 83.3 | 124.9 | 129.6 | -78.6 | -177.9 | 170.2 | 176.8 | -1.4 | 121.7 | |||||
| 338 | S | 36.8 | Very low | 36.5 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | 69.9 | 97.1 | 137 | 59 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 339 | V | 33.2 | Very low | 36.9 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | 36 | 128.4 | 112.8 | -176.1 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 340 | S | 32.1 | Very low | 37.2 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | 77.8 | 148.5 | 152.5 | 72.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 341 | V | 34.9 | Very low | 37.9 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | cis | -167.4 | 166.2 | -9.4 | 139.8 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 342 | V | 35.5 | Very low | 38.6 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | trans | 76.8 | 96.7 | 155.2 | -173 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 343 | S | 32.7 | Very low | 39.2 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | 59.6 | 126.4 | 113.3 | 127.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 344 | S | 38.9 | Very low | 39.4 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | 87.4 | 134.2 | 129.1 | -57.8 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 345 | Q | 39.8 | Very low | 39.7 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 73.6 | 139.1 | 156.7 | -71.5 | 172.4 | -47.9 | 0 | 0 | 115.6 | ||||
| 346 | D | 39.8 | Very low | 39.6 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | cis | -160.9 | 142.3 | 6.7 | -111.1 | -38.5 | 0 | 0 | 0 | 108.2 | ||||
| 347 | K | 40.9 | Very low | 39.8 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 29.3 | 121.4 | 130.1 | -115.2 | -178.4 | -173.7 | -165.6 | 0 | 118.7 | ||||
| 348 | L | 43.4 | Very low | 40.1 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | 160.5 | 131.9 | 106.2 | -90.4 | 158.3 | 0 | 0 | 0 | 112.1 | |||||
| 349 | N | 41 | Very low | 40.3 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 47.5 | 147.4 | 137.8 | -86.2 | 3.2 | 0 | 0 | 0 | 119.6 | ||||
| 350 | S | 43.3 | Very low | 40.8 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | cis | 176.4 | 128.7 | 7.4 | 156.9 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 351 | K | 49.6 | Very low | 41.5 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | 44.4 | 137.8 | 135.3 | -104.4 | -176.5 | 154.9 | 178.2 | 0 | 122.6 | ||||
| 352 | D | 50.3 | Low | 42 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | 87.3 | 97.6 | 141 | -56.9 | -27.4 | 0 | 0 | 0 | 118.3 | ||||
| 353 | A | 49 | Very low | 42.6 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 100% | 1.504 | 79% | 0.793 | S | S | * | * | -166.4 | 0 | 122.9 | 0 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 353 of 353 residues in 43.1 ms
(Link to these results)