| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.7 | Low | 69.6 | Low | 234 Ų | 234 | 152.9 Ų | 152.9 | 100% | 1.153 | 77% | 0.772 | S | S | * | * | 0 | 122.7 | 0 | -72.7 | 176.3 | 144.6 | 0 | 0 | 109.2 | K3 | M1-K3 PolarHBondContact O-N 3.36Š| |||
| 2 | P | 65.9 | Low | 70.9 | Confident | 125 Ų | 125 | 143.7 Ų | 143.7 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -69.7 | 126.5 | 179.8 | -11.5 | 26.8 | 0 | 0 | 0 | 110.2 | K4 | P2-K4 PolarHBondContact O-N 3.16Š| ||
| 3 | K | 65.3 | Low | 72 | Confident | 194 Ų | 194 | 135.5 Ų | 135.5 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | trans | -60.8 | 107.3 | 176.8 | -93.8 | -178.7 | 173.3 | 177.7 | 0 | 109.5 | M1 F5 | M1-K3 PolarHBondContact O-N 3.36Å; K3-F5 PolarHBondContact O-N 3.46Å; K3-F5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | K | 64.9 | Low | 73.1 | Confident | 202 Ų | 202 | 130.6 Ų | 130.6 | 88% | 0.878 | 68% | 0.683 | S | S | * | * | trans | -71.9 | 100.5 | 171.4 | -61.7 | -174.5 | -178.5 | -176.6 | 0 | 108 | P2 Q6 | P2-K4 PolarHBondContact O-N 3.16Å; K4-Q6 PolarHBondContact O-N 3.1Å | ||
| 5 | F | 60.8 | Low | 74.2 | Confident | 172 Ų | 172 | 125.7 Ų | 125.7 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | trans | -67.3 | 119.5 | 167.1 | -97.5 | -94.6 | 0 | 0 | 0 | 108 | K3 G7 | K3-F5 PolarHBondContact O-N 3.46Å; K3-F5 VanDerWaalsContact O-N 3.13Å; F5-G7 VanDerWaalsContact C-N 3.33Å; F5-G7 PolarHBondContact O-N 3.12Å | ||
| 6 | Q | 64.6 | Low | 75.2 | Confident | 205 Ų | 205 | 125.5 Ų | 125.5 | 96% | 0.958 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -76.4 | 86.2 | 170.9 | -70.4 | -169.3 | -13.9 | 0 | 0 | 108.4 | K4 | K4-Q6 PolarHBondContact O-N 3.1Š|
| 7 | G | 70.4 | Confident | 76.1 | Confident | 56 Ų | 56 | 120.7 Ų | 120.7 | 58% | 0.577 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 140.5 | 163.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F5 N9 | F5-G7 VanDerWaalsContact C-N 3.33Å; F5-G7 PolarHBondContact O-N 3.12Å; G7-N9 PolarHBondContact O-N 3.39Å |
| 8 | E | 71.8 | Confident | 77.1 | Confident | 144 Ų | 144 | 124.1 Ų | 124.1 | 67% | 0.673 | 65% | 0.645 | S | S | * | * | trans | -63.5 | 130.2 | 173.1 | -79.5 | -162.6 | 126.6 | 0 | 0 | 110.5 | S10 K16 | E8-S10 PolarHBondContact O-N 2.88Å; E8-S10 VanDerWaalsContact O-N 3.17Å; E8-K16 IonicContact OE1-NZ 2.78Å; E8-K16 PolarHBondContact OE1-NZ 3.43Å | ||
| 9 | N | 81.9 | Confident | 78.1 | Confident | 91 Ų | 91 | 126.3 Ų | 126.3 | 49% | 0.487 | 65% | 0.649 | S | S | . | * | trans | -60.1 | 118.4 | 178.3 | 177.2 | -11.3 | 0 | 0 | 0 | 110.1 | G7 K11 A12 A13 | G7-N9 PolarHBondContact O-N 3.39Å; N9-K11 PolarHBondContact O-N 3.36Å; N9-K11 VanDerWaalsContact O-N 3.12Å; N9-K11 PolarHBondContact OD1-N 2.81Å; N9-K11 VanDerWaalsContact OD1-N 3.1Å; N9-A12 HydrophobicContact CB-CB 3.99Å; N9-A12 CarbonylContact O-C 3.58Å; N9-A12 WeakPolarHBondContact O-CA 3.41Å; N9-A12 WeakPolarHBondContact O-CB 3.36Å; N9-A12 PolarHBondContact O-N 2.96Å; N9-A13 PolarHBondContact O-N 2.9Å | ||
| 10 | S | 81.4 | Confident | 79 | Confident | 89 Ų | 89 | 122.9 Ų | 122.9 | 62% | 0.622 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -49.5 | -40.9 | -178.4 | 174.5 | 0 | 0 | 0 | 0 | 113.3 | E8 A12 A13 T14 | E8-S10 PolarHBondContact O-N 2.88Å; E8-S10 VanDerWaalsContact O-N 3.17Å; S10-A12 PolarHBondContact O-N 3.18Å; S10-A13 PolarHBondContact O-N 3.47Å; S10-T14 WeakPolarHBondContact O-CG2 3.48Å; S10-T14 PolarHBondContact O-N 2.93Å; S10-T14 PolarHBondContact O-OG1 3.47Å |
| 11 | K | 85.2 | Confident | 79.6 | Confident | 170 Ų | 170 | 123.1 Ų | 123.1 | 74% | 0.739 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.4 | -39.6 | 176.4 | -67.8 | -174.9 | 178.2 | -178.4 | 0 | 112.1 | N9 T14 A15 | N9-K11 PolarHBondContact O-N 3.36Å; N9-K11 VanDerWaalsContact O-N 3.12Å; N9-K11 PolarHBondContact OD1-N 2.81Å; N9-K11 VanDerWaalsContact OD1-N 3.1Å; K11-T14 PolarHBondContact O-N 3.5Å; K11-T14 PolarHBondContact O-OG1 3.4Å; K11-A15 WeakPolarHBondContact O-CB 3.42Å; K11-A15 PolarHBondContact O-N 2.82Å |
| 12 | A | 84.9 | Confident | 81.7 | Confident | 42 Ų | 42 | 115 Ų | 115 | 35% | 0.347 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.5 | -38.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N9 S10 A15 K16 | N9-A12 HydrophobicContact CB-CB 3.99Å; N9-A12 CarbonylContact O-C 3.58Å; N9-A12 WeakPolarHBondContact O-CA 3.41Å; N9-A12 WeakPolarHBondContact O-CB 3.36Å; N9-A12 PolarHBondContact O-N 2.96Å; S10-A12 PolarHBondContact O-N 3.18Å; A12-A15 PolarHBondContact O-N 3.43Å; A12-K16 WeakPolarHBondContact O-CB 3.48Å; A12-K16 WeakPolarHBondContact O-CG 3.49Å; A12-K16 PolarHBondContact O-N 2.94Å |
| 13 | A | 85.7 | Confident | 83.2 | Confident | 38 Ų | 38 | 115.5 Ų | 115.5 | 31% | 0.314 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.7 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N9 S10 A15 K16 A17 | N9-A13 PolarHBondContact O-N 2.9Å; S10-A13 PolarHBondContact O-N 3.47Å; A13-A15 PolarHBondContact O-N 3.3Å; A13-K16 PolarHBondContact O-N 3.4Å; A13-A17 WeakPolarHBondContact O-CB 3.45Å; A13-A17 PolarHBondContact O-N 2.89Å |
| 14 | T | 86.5 | Confident | 84.7 | Confident | 66 Ų | 66 | 109 Ų | 109 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.3 | -37.5 | 175.8 | 61.8 | 0 | 0 | 0 | 0 | 113 | S10 K11 A17 R18 | S10-T14 WeakPolarHBondContact O-CG2 3.48Å; S10-T14 PolarHBondContact O-N 2.93Å; S10-T14 PolarHBondContact O-OG1 3.47Å; K11-T14 PolarHBondContact O-N 3.5Å; K11-T14 PolarHBondContact O-OG1 3.4Å; T14-A17 PolarHBondContact O-N 2.86Å; T14-R18 WeakPolarHBondContact O-CG 3Å; T14-R18 PolarHBondContact O-N 3.24Å |
| 15 | A | 89.9 | Confident | 86.2 | Confident | 57 Ų | 57 | 103 Ų | 103 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | K11 A12 A13 K19 | K11-A15 WeakPolarHBondContact O-CB 3.42Å; K11-A15 PolarHBondContact O-N 2.82Å; A12-A15 PolarHBondContact O-N 3.43Å; A13-A15 PolarHBondContact O-N 3.3Å; A15-K19 WeakPolarHBondContact O-CB 3.27Å; A15-K19 PolarHBondContact O-N 3.24Å |
| 16 | K | 90.7 | Very high | 87.9 | Confident | 123 Ų | 123 | 96.8 Ų | 96.8 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 172.4 | -74.3 | 178.7 | -176.5 | -177.8 | 0 | 111.2 | E8 A12 A13 K19 A20 | E8-K16 IonicContact OE1-NZ 2.78Å; E8-K16 PolarHBondContact OE1-NZ 3.43Å; A12-K16 WeakPolarHBondContact O-CB 3.48Å; A12-K16 WeakPolarHBondContact O-CG 3.49Å; A12-K16 PolarHBondContact O-N 2.94Å; A13-K16 PolarHBondContact O-N 3.4Å; K16-K19 PolarHBondContact O-N 2.87Å; K16-A20 WeakPolarHBondContact O-CB 3.39Å; K16-A20 PolarHBondContact O-N 2.93Å |
| 17 | A | 91 | Very high | 89.4 | Confident | 44 Ų | 44 | 90.1 Ų | 90.1 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A13 T14 K19 A20 E21 | A13-A17 WeakPolarHBondContact O-CB 3.45Å; A13-A17 PolarHBondContact O-N 2.89Å; T14-A17 PolarHBondContact O-N 2.86Å; A17-K19 VanDerWaalsContact C-N 3.31Å; A17-K19 PolarHBondContact O-N 3.43Å; A17-A20 WeakPolarHBondContact O-CB 3.31Å; A17-A20 PolarHBondContact O-N 2.76Å; A17-A20 VanDerWaalsContact O-N 3.11Å; A17-E21 WeakPolarHBondContact O-CG 3.5Å; A17-E21 PolarHBondContact O-N 2.94Å |
| 18 | R | 94.1 | Very high | 90.6 | Very high | 181 Ų | 181 | 90.2 Ų | 90.2 | 68% | 0.683 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -39.4 | 176.1 | -72 | 177.8 | -176.1 | 163.6 | 1.2 | 113 | T14 A22 | T14-R18 WeakPolarHBondContact O-CG 3Å; T14-R18 PolarHBondContact O-N 3.24Å; R18-A22 WeakPolarHBondContact O-CB 3.49Å; R18-A22 PolarHBondContact O-N 3.44Å |
| 19 | K | 95.4 | Very high | 91.8 | Very high | 166 Ų | 166 | 91.2 Ų | 91.2 | 72% | 0.722 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.1 | -37.3 | 176.5 | -172.8 | 172.2 | -178.9 | 177.6 | 0 | 111.8 | A15 K16 A17 K23 | A15-K19 WeakPolarHBondContact O-CB 3.27Å; A15-K19 PolarHBondContact O-N 3.24Å; K16-K19 PolarHBondContact O-N 2.87Å; A17-K19 VanDerWaalsContact C-N 3.31Å; A17-K19 PolarHBondContact O-N 3.43Å; K19-K23 WeakPolarHBondContact O-CB 3.14Å; K19-K23 PolarHBondContact O-N 2.92Å |
| 20 | A | 95.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 92.6 Ų | 92.6 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K16 A17 K23 A24 | K16-A20 WeakPolarHBondContact O-CB 3.39Å; K16-A20 PolarHBondContact O-N 2.93Å; A17-A20 WeakPolarHBondContact O-CB 3.31Å; A17-A20 PolarHBondContact O-N 2.76Å; A17-A20 VanDerWaalsContact O-N 3.11Å; A20-K23 PolarHBondContact O-N 2.82Å; A20-A24 WeakPolarHBondContact O-CB 3.36Å; A20-A24 PolarHBondContact O-N 3Å |
| 21 | E | 93.3 | Very high | 93.3 | Very high | 127 Ų | 127 | 94.5 Ų | 94.5 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.2 | -47.1 | 174.4 | -73.4 | 170.3 | -172.5 | 0 | 0 | 111.6 | A17 K23 A24 V25 | A17-E21 WeakPolarHBondContact O-CG 3.5Å; A17-E21 PolarHBondContact O-N 2.94Å; E21-K23 VanDerWaalsContact C-N 3.28Å; E21-K23 PolarHBondContact O-N 3.18Å; E21-A24 PolarHBondContact O-N 3.3Å; E21-V25 WeakPolarHBondContact O-CG2 3.44Å; E21-V25 PolarHBondContact O-N 2.77Å |
| 22 | A | 96.8 | Very high | 93.8 | Very high | 63 Ų | 63 | 92.4 Ų | 92.4 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R18 A26 | R18-A22 WeakPolarHBondContact O-CB 3.49Å; R18-A22 PolarHBondContact O-N 3.44Å; A22-A26 WeakPolarHBondContact O-CB 3.45Å; A22-A26 PolarHBondContact O-N 3.06Å |
| 23 | K | 97.2 | Very high | 94.3 | Very high | 136 Ų | 136 | 96.4 Ų | 96.4 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.4 | -45 | 174.3 | -172.8 | -177.1 | 175.1 | -173.1 | 0 | 111.5 | K19 A20 E21 V25 A26 D27 | K19-K23 WeakPolarHBondContact O-CB 3.14Å; K19-K23 PolarHBondContact O-N 2.92Å; A20-K23 PolarHBondContact O-N 2.82Å; E21-K23 VanDerWaalsContact C-N 3.28Å; E21-K23 PolarHBondContact O-N 3.18Å; K23-V25 VanDerWaalsContact C-N 3.32Å; K23-V25 PolarHBondContact O-N 3.34Å; K23-A26 PolarHBondContact O-N 3.05Å; K23-D27 WeakPolarHBondContact CE-OD2 3.45Å; K23-D27 WeakPolarHBondContact O-CB 3.22Å; K23-D27 VanDerWaalsContact O-CG 3.26Å; K23-D27 PolarHBondContact O-N 2.83Å |
| 24 | A | 96.3 | Very high | 94.8 | Very high | 59 Ų | 59 | 100.9 Ų | 100.9 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | A20 E21 D27 A28 | A20-A24 WeakPolarHBondContact O-CB 3.36Å; A20-A24 PolarHBondContact O-N 3Å; E21-A24 PolarHBondContact O-N 3.3Å; A24-D27 PolarHBondContact O-N 2.82Å; A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 3Å |
| 25 | V | 96.6 | Very high | 95.3 | Very high | 75 Ų | 75 | 103.3 Ų | 103.3 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 174 | 172.3 | 0 | 0 | 0 | 0 | 111 | E21 K23 A28 R29 | E21-V25 WeakPolarHBondContact O-CG2 3.44Å; E21-V25 PolarHBondContact O-N 2.77Å; K23-V25 VanDerWaalsContact C-N 3.32Å; K23-V25 PolarHBondContact O-N 3.34Å; V25-A28 PolarHBondContact O-N 3.29Å; V25-R29 WeakPolarHBondContact O-CB 3.24Å; V25-R29 VanDerWaalsContact O-CG 3.31Å; V25-R29 WeakPolarHBondContact O-CG 3.41Å; V25-R29 PolarHBondContact O-N 3.26Å |
| 26 | A | 97 | Very high | 95.5 | Very high | 42 Ų | 42 | 104.8 Ų | 104.8 | 35% | 0.347 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A22 K23 R29 K30 | A22-A26 WeakPolarHBondContact O-CB 3.45Å; A22-A26 PolarHBondContact O-N 3.06Å; K23-A26 PolarHBondContact O-N 3.05Å; A26-R29 PolarHBondContact O-N 3.32Å; A26-K30 WeakPolarHBondContact O-CG 3.49Å; A26-K30 PolarHBondContact O-N 3.37Å |
| 27 | D | 96.2 | Very high | 95.7 | Very high | 65 Ų | 65 | 101.4 Ų | 101.4 | 35% | 0.348 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 177.9 | -66.8 | -18.9 | 0 | 0 | 0 | 111 | K23 A24 K30 K31 | K23-D27 WeakPolarHBondContact CE-OD2 3.45Å; K23-D27 WeakPolarHBondContact O-CB 3.22Å; K23-D27 VanDerWaalsContact O-CG 3.26Å; K23-D27 PolarHBondContact O-N 2.83Å; A24-D27 PolarHBondContact O-N 2.82Å; D27-K30 PolarHBondContact O-N 2.82Å; D27-K31 WeakPolarHBondContact O-CG 3.35Å; D27-K31 PolarHBondContact O-N 3.11Å |
| 28 | A | 96.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | A24 V25 K31 K32 | A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 3Å; V25-A28 PolarHBondContact O-N 3.29Å; A28-K31 PolarHBondContact O-N 3.02Å; A28-K32 WeakPolarHBondContact O-CB 3.47Å; A28-K32 PolarHBondContact O-N 3.48Å |
| 29 | R | 96.9 | Very high | 95.8 | Very high | 165 Ų | 165 | 107.7 Ų | 107.7 | 62% | 0.623 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.4 | -46.5 | 173.7 | -76.8 | 179.8 | -176.1 | -168.6 | 0.5 | 111.6 | V25 A26 K31 K32 E33 | V25-R29 WeakPolarHBondContact O-CB 3.24Å; V25-R29 VanDerWaalsContact O-CG 3.31Å; V25-R29 WeakPolarHBondContact O-CG 3.41Å; V25-R29 PolarHBondContact O-N 3.26Å; A26-R29 PolarHBondContact O-N 3.32Å; R29-K31 PolarHBondContact O-N 2.83Å; R29-K32 PolarHBondContact O-N 3.05Å; R29-E33 VanDerWaalsContact O-CG 3.31Å; R29-E33 WeakPolarHBondContact O-CG 3.18Å; R29-E33 PolarHBondContact O-N 2.84Å |
| 30 | K | 97.4 | Very high | 95.6 | Very high | 119 Ų | 119 | 106.2 Ų | 106.2 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 176.6 | -73.6 | 178 | 178.3 | -174.9 | 0 | 112.3 | A26 D27 K32 E33 E34 | A26-K30 WeakPolarHBondContact O-CG 3.49Å; A26-K30 PolarHBondContact O-N 3.37Å; D27-K30 PolarHBondContact O-N 2.82Å; K30-K32 VanDerWaalsContact C-N 3.31Å; K30-K32 PolarHBondContact O-N 2.86Å; K30-E33 PolarHBondContact O-N 3.05Å; K30-E34 WeakPolarHBondContact O-CB 3.18Å; K30-E34 VanDerWaalsContact O-CG 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.39Å; K30-E34 PolarHBondContact O-N 3.08Å |
| 31 | K | 96.1 | Very high | 95.4 | Very high | 130 Ų | 130 | 108 Ų | 108 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.8 | -43.2 | 175.8 | -74.7 | 178.6 | 178.8 | -171.9 | 0 | 112 | D27 A28 R29 E34 E35 | D27-K31 WeakPolarHBondContact O-CG 3.35Å; D27-K31 PolarHBondContact O-N 3.11Å; A28-K31 PolarHBondContact O-N 3.02Å; R29-K31 PolarHBondContact O-N 2.83Å; K31-E34 PolarHBondContact O-N 3.46Å; K31-E35 WeakPolarHBondContact O-CB 3.47Å; K31-E35 VanDerWaalsContact O-CG 3.3Å; K31-E35 WeakPolarHBondContact O-CG 3.39Å; K31-E35 PolarHBondContact O-N 3.2Å |
| 32 | K | 96.1 | Very high | 95.3 | Very high | 126 Ų | 126 | 107.8 Ų | 107.8 | 55% | 0.548 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176 | -172 | -177.4 | 175.4 | -175 | 0 | 111.6 | A28 R29 K30 E34 E35 D36 | A28-K32 WeakPolarHBondContact O-CB 3.47Å; A28-K32 PolarHBondContact O-N 3.48Å; R29-K32 PolarHBondContact O-N 3.05Å; K30-K32 VanDerWaalsContact C-N 3.31Å; K30-K32 PolarHBondContact O-N 2.86Å; K32-E34 VanDerWaalsContact C-N 3.32Å; K32-E34 PolarHBondContact O-N 2.67Å; K32-E35 PolarHBondContact O-N 2.81Å; K32-D36 WeakPolarHBondContact CE-OD2 3.45Å; K32-D36 VanDerWaalsContact O-CB 3.26Å; K32-D36 WeakPolarHBondContact O-CB 3.43Å; K32-D36 PolarHBondContact O-N 3.2Å |
| 33 | E | 96.1 | Very high | 95.2 | Very high | 126 Ų | 126 | 108.2 Ų | 108.2 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.7 | -38.2 | 176.6 | -72.2 | 164.6 | -162.8 | 0 | 0 | 111.9 | R29 K30 A37 | R29-E33 VanDerWaalsContact O-CG 3.31Å; R29-E33 WeakPolarHBondContact O-CG 3.18Å; R29-E33 PolarHBondContact O-N 2.84Å; K30-E33 PolarHBondContact O-N 3.05Å; E33-A37 WeakPolarHBondContact O-CB 3.13Å; E33-A37 PolarHBondContact O-N 3.43Å |
| 34 | E | 96.1 | Very high | 95.1 | Very high | 132 Ų | 132 | 109.4 Ų | 109.4 | 62% | 0.617 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.1 | -43 | 174.6 | -72.4 | 167.3 | -171.3 | 0 | 0 | 112.1 | K30 K31 K32 A37 L38 | K30-E34 WeakPolarHBondContact O-CB 3.18Å; K30-E34 VanDerWaalsContact O-CG 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.39Å; K30-E34 PolarHBondContact O-N 3.08Å; K31-E34 PolarHBondContact O-N 3.46Å; K32-E34 VanDerWaalsContact C-N 3.32Å; K32-E34 PolarHBondContact O-N 2.67Å; E34-A37 PolarHBondContact O-N 3.47Å; E34-L38 WeakPolarHBondContact O-CB 3.34Å; E34-L38 PolarHBondContact O-N 2.78Å |
| 35 | E | 95.9 | Very high | 95 | Very high | 117 Ų | 117 | 112.9 Ų | 112.9 | 55% | 0.547 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.4 | -49.6 | 174.3 | -73.6 | 170.9 | -175.5 | 0 | 0 | 110.8 | K31 K32 A37 L38 W39 | K31-E35 WeakPolarHBondContact O-CB 3.47Å; K31-E35 VanDerWaalsContact O-CG 3.3Å; K31-E35 WeakPolarHBondContact O-CG 3.39Å; K31-E35 PolarHBondContact O-N 3.2Å; K32-E35 PolarHBondContact O-N 2.81Å; E35-A37 VanDerWaalsContact C-N 3.27Å; E35-A37 PolarHBondContact O-N 2.94Å; E35-L38 WeakPolarHBondContact O-CB 3.36Å; E35-L38 PolarHBondContact O-N 3.46Å; E35-L38 VanDerWaalsContact O-N 3.12Å; E35-W39 PolarHBondContact O-N 3.35Å |
| 36 | D | 95 | Very high | 94.9 | Very high | 87 Ų | 87 | 111.9 Ų | 111.9 | 47% | 0.465 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.1 | -42.1 | 177.1 | -72.3 | -16.8 | 0 | 0 | 0 | 110.1 | K32 W39 Q40 | K32-D36 WeakPolarHBondContact CE-OD2 3.45Å; K32-D36 VanDerWaalsContact O-CB 3.26Å; K32-D36 WeakPolarHBondContact O-CB 3.43Å; K32-D36 PolarHBondContact O-N 3.2Å; D36-W39 CarbonylContact O-C 3.56Å; D36-W39 PolarHBondContact O-N 2.94Å; D36-Q40 WeakPolarHBondContact O-CG 3.47Å; D36-Q40 PolarHBondContact O-N 2.78Å; D36-Q40 VanDerWaalsContact O-N 3.14Å |
| 37 | A | 95.1 | Very high | 94.7 | Very high | 52 Ų | 52 | 112.9 Ų | 112.9 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | E33 E34 E35 W39 Q40 | E33-A37 WeakPolarHBondContact O-CB 3.13Å; E33-A37 PolarHBondContact O-N 3.43Å; E34-A37 PolarHBondContact O-N 3.47Å; E35-A37 VanDerWaalsContact C-N 3.27Å; E35-A37 PolarHBondContact O-N 2.94Å; A37-W39 PolarHBondContact O-N 3.33Å; A37-Q40 PolarHBondContact O-N 3.23Å |
| 38 | L | 94.4 | Very high | 94.7 | Very high | 141 Ų | 141 | 114.8 Ų | 114.8 | 74% | 0.738 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.2 | -33.5 | 175.8 | -179.6 | 64.1 | 0 | 0 | 0 | 111.7 | E34 E35 | E34-L38 WeakPolarHBondContact O-CB 3.34Å; E34-L38 PolarHBondContact O-N 2.78Å; E35-L38 WeakPolarHBondContact O-CB 3.36Å; E35-L38 PolarHBondContact O-N 3.46Å; E35-L38 VanDerWaalsContact O-N 3.12Å |
| 39 | W | 92.3 | Very high | 94.7 | Very high | 216 Ų | 216 | 119.1 Ų | 119.1 | 82% | 0.818 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 13 | 179.7 | -71.1 | 103.5 | 0 | 0 | 0 | 113.8 | E35 D36 A37 E41 | E35-W39 PolarHBondContact O-N 3.35Å; D36-W39 CarbonylContact O-C 3.56Å; D36-W39 PolarHBondContact O-N 2.94Å; A37-W39 PolarHBondContact O-N 3.33Å; W39-E41 PolarHBondContact O-N 3.2Å |
| 40 | Q | 91.4 | Very high | 94.6 | Very high | 135 Ų | 135 | 116 Ų | 116 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | trans | -68 | 128.6 | 173 | -77.8 | -179.6 | 7.1 | 0 | 0 | 111.1 | D36 A37 T42 | D36-Q40 WeakPolarHBondContact O-CG 3.47Å; D36-Q40 PolarHBondContact O-N 2.78Å; D36-Q40 VanDerWaalsContact O-N 3.14Å; A37-Q40 PolarHBondContact O-N 3.23Å; Q40-T42 PolarHBondContact O-N 3.34Å | ||
| 41 | E | 91 | Very high | 94.5 | Very high | 96 Ų | 96 | 116 Ų | 116 | 45% | 0.449 | 55% | 0.554 | S | S | . | * | trans | -70.2 | 123.6 | 172.1 | -176.8 | 54.9 | -103.2 | 0 | 0 | 109.8 | W39 D43 V46 L47 | W39-E41 PolarHBondContact O-N 3.2Å; E41-D43 VanDerWaalsContact OE1-CB 3.25Å; E41-D43 WeakPolarHBondContact OE1-CB 3.28Å; E41-D43 PolarHBondContact OE1-N 3.06Å; E41-V46 HydrophobicContact CG-CB 3.88Å; E41-V46 HydrophobicContact CG-CG1 3.68Å; E41-L47 HydrophobicContact CB-CD2 4.49Å; E41-L47 HydrophobicContact CG-CD2 4.47Å | ||
| 42 | T | 91.3 | Very high | 94.5 | Very high | 124 Ų | 124 | 117.3 Ų | 117.3 | 76% | 0.761 | 56% | 0.555 | S | S | * | * | trans | -114.2 | -7.8 | -178 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | Q40 K44 | Q40-T42 PolarHBondContact O-N 3.34Å; T42-K44 PolarHBondContact O-N 3.47Å; T42-K44 VanDerWaalsContact O-N 3.16Å | ||
| 43 | D | 94.8 | Very high | 94.5 | Very high | 71 Ų | 71 | 117.4 Ų | 117.4 | 38% | 0.38 | 56% | 0.556 | S | S | . | * | trans | -68.8 | 115.3 | 176.7 | -175 | 0 | 0 | 0 | 0 | 110.9 | E41 H45 V46 L47 | E41-D43 VanDerWaalsContact OE1-CB 3.25Å; E41-D43 WeakPolarHBondContact OE1-CB 3.28Å; E41-D43 PolarHBondContact OE1-N 3.06Å; D43-H45 PolarHBondContact O-N 3.15Å; D43-H45 VanDerWaalsContact O-N 3.12Å; D43-H45 IonicContact OD1-CD2 2.83Å; D43-H45 PolarHBondContact OD1-N 3.1Å; D43-V46 HydrophobicContact CB-CB 4.23Å; D43-V46 HydrophobicContact CB-CG2 3.96Å; D43-V46 PolarHBondContact O-N 2.92Å; D43-V46 VanDerWaalsContact O-N 3.07Å; D43-L47 WeakPolarHBondContact O-CG 3.47Å; D43-L47 PolarHBondContact O-N 3.47Å | ||
| 44 | K | 94.8 | Very high | 94.5 | Very high | 161 Ų | 161 | 115.2 Ų | 115.2 | 70% | 0.7 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -50.4 | -35.9 | 174.9 | -178.8 | 179.7 | 178.2 | 179.4 | 0 | 112.9 | T42 K48 | T42-K44 PolarHBondContact O-N 3.47Å; T42-K44 VanDerWaalsContact O-N 3.16Å; K44-K48 VanDerWaalsContact O-CB 3.25Å; K44-K48 WeakPolarHBondContact O-CB 3.34Å; K44-K48 PolarHBondContact O-N 3.15Å; K44-K48 VanDerWaalsContact O-N 3.08Å |
| 45 | H | 94.6 | Very high | 94.5 | Very high | 132 Ų | 132 | 113.3 Ų | 113.3 | 61% | 0.611 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.8 | -36.6 | -178.9 | -70.5 | -62.8 | 0 | 0 | 0 | 112.6 | D43 K49 | D43-H45 PolarHBondContact O-N 3.15Å; D43-H45 VanDerWaalsContact O-N 3.12Å; D43-H45 IonicContact OD1-CD2 2.83Å; D43-H45 PolarHBondContact OD1-N 3.1Å; H45-K49 WeakPolarHBondContact O-CG 3.48Å; H45-K49 PolarHBondContact O-N 2.86Å |
| 46 | V | 93.4 | Very high | 94.6 | Very high | 54 Ų | 54 | 115.4 Ų | 115.4 | 33% | 0.327 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.6 | -49.2 | 175.8 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | E41 D43 K48 K49 E50 | E41-V46 HydrophobicContact CG-CB 3.88Å; E41-V46 HydrophobicContact CG-CG1 3.68Å; D43-V46 HydrophobicContact CB-CB 4.23Å; D43-V46 HydrophobicContact CB-CG2 3.96Å; D43-V46 PolarHBondContact O-N 2.92Å; D43-V46 VanDerWaalsContact O-N 3.07Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 3.13Å; V46-K49 WeakPolarHBondContact O-CA 3.47Å; V46-K49 WeakPolarHBondContact O-CB 3.26Å; V46-K49 PolarHBondContact O-N 3.37Å; V46-E50 PolarHBondContact O-N 3.44Å |
| 47 | L | 94.3 | Very high | 94.6 | Very high | 63 Ų | 63 | 116 Ų | 116 | 33% | 0.33 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.2 | -40.9 | 176.6 | -68.1 | 174.9 | 0 | 0 | 0 | 112.4 | E41 D43 K49 E50 Q51 | E41-L47 HydrophobicContact CB-CD2 4.49Å; E41-L47 HydrophobicContact CG-CD2 4.47Å; D43-L47 WeakPolarHBondContact O-CG 3.47Å; D43-L47 PolarHBondContact O-N 3.47Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.43Å; L47-E50 PolarHBondContact O-N 2.83Å; L47-Q51 WeakPolarHBondContact O-CB 3.27Å; L47-Q51 VanDerWaalsContact O-CG 3.28Å; L47-Q51 WeakPolarHBondContact O-CG 3.22Å; L47-Q51 PolarHBondContact O-N 2.88Å |
| 48 | K | 95.9 | Very high | 94.7 | Very high | 106 Ų | 106 | 120.3 Ų | 120.3 | 46% | 0.461 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.2 | -30.7 | 176.3 | -169.9 | 174.5 | -171.5 | 177.7 | 0 | 112.8 | K44 V46 R52 | K44-K48 VanDerWaalsContact O-CB 3.25Å; K44-K48 WeakPolarHBondContact O-CB 3.34Å; K44-K48 PolarHBondContact O-N 3.15Å; K44-K48 VanDerWaalsContact O-N 3.08Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 3.13Å; K48-R52 WeakPolarHBondContact O-CD 3.38Å; K48-R52 WeakPolarHBondContact O-CG 3.49Å; K48-R52 PolarHBondContact O-N 3.4Å |
| 49 | K | 96.1 | Very high | 94.9 | Very high | 148 Ų | 148 | 120 Ų | 120 | 64% | 0.643 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72 | -43.3 | 174.5 | -75.7 | 172.8 | -179.4 | 176 | 0 | 110.8 | H45 V46 L47 R52 K53 | H45-K49 WeakPolarHBondContact O-CG 3.48Å; H45-K49 PolarHBondContact O-N 2.86Å; V46-K49 WeakPolarHBondContact O-CA 3.47Å; V46-K49 WeakPolarHBondContact O-CB 3.26Å; V46-K49 PolarHBondContact O-N 3.37Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.43Å; K49-R52 PolarHBondContact O-N 2.88Å; K49-K53 PolarHBondContact O-N 3.01Å; K49-K53 VanDerWaalsContact O-N 3.07Å |
| 50 | E | 94 | Very high | 95.1 | Very high | 100 Ų | 100 | 118.3 Ų | 118.3 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 177.1 | -169.7 | 169 | -161.9 | 0 | 0 | 111.2 | V46 L47 R52 K53 D54 | V46-E50 PolarHBondContact O-N 3.44Å; L47-E50 PolarHBondContact O-N 2.83Å; E50-R52 VanDerWaalsContact C-N 3.29Å; E50-R52 PolarHBondContact O-N 3.46Å; E50-K53 CarbonylContact O-C 3.47Å; E50-K53 WeakPolarHBondContact O-CA 3.32Å; E50-K53 VanDerWaalsContact O-CB 3.31Å; E50-K53 WeakPolarHBondContact O-CB 3.47Å; E50-K53 PolarHBondContact O-N 3.33Å; E50-D54 PolarHBondContact O-N 2.97Å |
| 51 | Q | 95.4 | Very high | 95.3 | Very high | 120 Ų | 120 | 116.8 Ų | 116.8 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -54.9 | -42.2 | 174.7 | -74.7 | 174.9 | -5.9 | 0 | 0 | 113 | L47 K53 D54 D55 | L47-Q51 WeakPolarHBondContact O-CB 3.27Å; L47-Q51 VanDerWaalsContact O-CG 3.28Å; L47-Q51 WeakPolarHBondContact O-CG 3.22Å; L47-Q51 PolarHBondContact O-N 2.88Å; Q51-K53 VanDerWaalsContact C-N 3.29Å; Q51-K53 PolarHBondContact O-N 3.24Å; Q51-D54 PolarHBondContact O-N 2.84Å; Q51-D55 VanDerWaalsContact O-CB 3.3Å; Q51-D55 WeakPolarHBondContact O-CB 3.32Å; Q51-D55 VanDerWaalsContact O-CG 3.24Å; Q51-D55 PolarHBondContact O-N 3.17Å |
| 52 | R | 96.3 | Very high | 95.6 | Very high | 156 Ų | 156 | 118 Ų | 118 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.5 | -33.2 | 176.3 | -75.5 | 169.5 | 176.6 | 177.3 | -4.3 | 112.7 | K48 K49 E50 K56 | K48-R52 WeakPolarHBondContact O-CD 3.38Å; K48-R52 WeakPolarHBondContact O-CG 3.49Å; K48-R52 PolarHBondContact O-N 3.4Å; K49-R52 PolarHBondContact O-N 2.88Å; E50-R52 VanDerWaalsContact C-N 3.29Å; E50-R52 PolarHBondContact O-N 3.46Å; R52-K56 WeakPolarHBondContact O-CB 3.49Å; R52-K56 PolarHBondContact O-N 3.17Å |
| 53 | K | 97.3 | Very high | 95.9 | Very high | 128 Ų | 128 | 116.3 Ų | 116.3 | 56% | 0.557 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.2 | -48.7 | 176.4 | -172.8 | -172.1 | 171.1 | -163.4 | 0 | 109.8 | K49 E50 Q51 D55 K56 E57 | K49-K53 PolarHBondContact O-N 3.01Å; K49-K53 VanDerWaalsContact O-N 3.07Å; E50-K53 CarbonylContact O-C 3.47Å; E50-K53 WeakPolarHBondContact O-CA 3.32Å; E50-K53 VanDerWaalsContact O-CB 3.31Å; E50-K53 WeakPolarHBondContact O-CB 3.47Å; E50-K53 PolarHBondContact O-N 3.33Å; Q51-K53 VanDerWaalsContact C-N 3.29Å; Q51-K53 PolarHBondContact O-N 3.24Å; K53-D55 PolarHBondContact O-N 3.45Å; K53-K56 WeakPolarHBondContact O-CB 3.45Å; K53-K56 PolarHBondContact O-N 2.78Å; K53-K56 VanDerWaalsContact O-N 3.08Å; K53-E57 WeakPolarHBondContact CE-OE1 3.39Å; K53-E57 PolarHBondContact O-N 2.9Å |
| 54 | D | 95.6 | Very high | 95.9 | Very high | 81 Ų | 81 | 117.1 Ų | 117.1 | 43% | 0.433 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 178.2 | -66.5 | -9.1 | 0 | 0 | 0 | 111.6 | E50 Q51 K56 E57 K58 | E50-D54 PolarHBondContact O-N 2.97Å; Q51-D54 PolarHBondContact O-N 2.84Å; D54-K56 VanDerWaalsContact C-N 3.28Å; D54-K56 PolarHBondContact O-N 2.93Å; D54-E57 PolarHBondContact O-N 3.28Å; D54-K58 WeakPolarHBondContact O-CB 3.45Å; D54-K58 PolarHBondContact O-N 2.9Å |
| 55 | D | 96.4 | Very high | 96 | Very high | 91 Ų | 91 | 115.2 Ų | 115.2 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -36.4 | 175.4 | -78.7 | -22 | 0 | 0 | 0 | 112.2 | Q51 K53 K59 | Q51-D55 VanDerWaalsContact O-CB 3.3Å; Q51-D55 WeakPolarHBondContact O-CB 3.32Å; Q51-D55 VanDerWaalsContact O-CG 3.24Å; Q51-D55 PolarHBondContact O-N 3.17Å; K53-D55 PolarHBondContact O-N 3.45Å; D55-K59 WeakPolarHBondContact O-CB 3.31Å; D55-K59 WeakPolarHBondContact O-CD 3.36Å; D55-K59 WeakPolarHBondContact O-CG 3.38Å; D55-K59 PolarHBondContact O-N 3.23Å; D55-K59 VanDerWaalsContact O-N 3.07Å |
| 56 | K | 97.1 | Very high | 96.2 | Very high | 161 Ų | 161 | 116.1 Ų | 116.1 | 70% | 0.7 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.2 | -42.4 | 177.9 | -173.2 | -179.8 | -179 | -177.6 | 0 | 111.2 | R52 K53 D54 R60 | R52-K56 WeakPolarHBondContact O-CB 3.49Å; R52-K56 PolarHBondContact O-N 3.17Å; K53-K56 WeakPolarHBondContact O-CB 3.45Å; K53-K56 PolarHBondContact O-N 2.78Å; K53-K56 VanDerWaalsContact O-N 3.08Å; D54-K56 VanDerWaalsContact C-N 3.28Å; D54-K56 PolarHBondContact O-N 2.93Å; K56-R60 WeakPolarHBondContact O-CB 3.29Å; K56-R60 PolarHBondContact O-N 2.89Å |
| 57 | E | 95.8 | Very high | 96.4 | Very high | 99 Ų | 99 | 120.2 Ų | 120.2 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 176.7 | -72.6 | -176.3 | -173.6 | 0 | 0 | 111.2 | K53 D54 K59 R60 L61 | K53-E57 WeakPolarHBondContact CE-OE1 3.39Å; K53-E57 PolarHBondContact O-N 2.9Å; D54-E57 PolarHBondContact O-N 3.28Å; E57-K59 PolarHBondContact O-N 3.49Å; E57-R60 WeakPolarHBondContact O-CB 3.49Å; E57-R60 PolarHBondContact O-N 3.45Å; E57-R60 VanDerWaalsContact O-N 3.13Å; E57-L61 WeakPolarHBondContact O-CG 3.22Å; E57-L61 PolarHBondContact O-N 3.35Å |
| 58 | K | 97.3 | Very high | 96.5 | Very high | 144 Ų | 144 | 125 Ų | 125 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.1 | -47 | 175.3 | -172 | 176.8 | -178.7 | 179.8 | 0 | 112.1 | D54 R60 L61 E62 | D54-K58 WeakPolarHBondContact O-CB 3.45Å; D54-K58 PolarHBondContact O-N 2.9Å; K58-R60 VanDerWaalsContact C-N 3.31Å; K58-R60 PolarHBondContact O-N 2.96Å; K58-L61 PolarHBondContact O-N 2.91Å; K58-E62 WeakPolarHBondContact O-CB 3.44Å; K58-E62 PolarHBondContact O-N 3.05Å |
| 59 | K | 97.7 | Very high | 96.5 | Very high | 134 Ų | 134 | 125.9 Ų | 125.9 | 58% | 0.583 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.5 | -38.3 | 175 | -75.7 | 171.5 | -175 | 174.3 | 0 | 112.4 | D55 E57 L63 | D55-K59 WeakPolarHBondContact O-CB 3.31Å; D55-K59 WeakPolarHBondContact O-CD 3.36Å; D55-K59 WeakPolarHBondContact O-CG 3.38Å; D55-K59 PolarHBondContact O-N 3.23Å; D55-K59 VanDerWaalsContact O-N 3.07Å; E57-K59 PolarHBondContact O-N 3.49Å; K59-L63 WeakPolarHBondContact O-CB 3.24Å; K59-L63 VanDerWaalsContact O-CG 3.24Å; K59-L63 WeakPolarHBondContact O-CG 3.39Å; K59-L63 PolarHBondContact O-N 3.47Å |
| 60 | R | 97.4 | Very high | 96.6 | Very high | 180 Ų | 180 | 123.2 Ų | 123.2 | 68% | 0.679 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.2 | -44.8 | 176.5 | -178.2 | -175.1 | 173 | -178.8 | -1 | 111 | K56 E57 K58 L63 L64 | K56-R60 WeakPolarHBondContact O-CB 3.29Å; K56-R60 PolarHBondContact O-N 2.89Å; E57-R60 WeakPolarHBondContact O-CB 3.49Å; E57-R60 PolarHBondContact O-N 3.45Å; E57-R60 VanDerWaalsContact O-N 3.13Å; K58-R60 VanDerWaalsContact C-N 3.31Å; K58-R60 PolarHBondContact O-N 2.96Å; R60-L63 PolarHBondContact O-N 3.35Å; R60-L64 HydrophobicContact CG-CD1 4.25Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.48Å; R60-L64 PolarHBondContact O-N 3.31Å |
| 61 | L | 95.6 | Very high | 96.6 | Very high | 103 Ų | 103 | 123.1 Ų | 123.1 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.9 | -47.2 | 178.4 | -70.4 | 173.6 | 0 | 0 | 0 | 111.3 | E57 K58 L63 L64 E65 | E57-L61 WeakPolarHBondContact O-CG 3.22Å; E57-L61 PolarHBondContact O-N 3.35Å; K58-L61 PolarHBondContact O-N 2.91Å; L61-L63 VanDerWaalsContact C-N 3.3Å; L61-L63 PolarHBondContact O-N 2.8Å; L61-L64 CarbonylContact O-C 3.59Å; L61-L64 WeakPolarHBondContact O-CB 3.09Å; L61-L64 PolarHBondContact O-N 3.01Å; L61-E65 WeakPolarHBondContact O-CG 3.49Å; L61-E65 PolarHBondContact O-N 2.85Å |
| 62 | E | 97 | Very high | 96.7 | Very high | 122 Ų | 122 | 125.1 Ų | 125.1 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.5 | -41 | 176.8 | -173.9 | -175.6 | 166.5 | 0 | 0 | 111.9 | K58 L64 E65 R66 | K58-E62 WeakPolarHBondContact O-CB 3.44Å; K58-E62 PolarHBondContact O-N 3.05Å; E62-L64 PolarHBondContact O-N 3.43Å; E62-E65 PolarHBondContact O-N 2.96Å; E62-R66 VanDerWaalsContact O-CB 3.27Å; E62-R66 WeakPolarHBondContact O-CB 3.45Å; E62-R66 PolarHBondContact O-N 3.49Å |
| 63 | L | 97.1 | Very high | 96.6 | Very high | 88 Ų | 88 | 122.3 Ų | 122.3 | 46% | 0.461 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.3 | -37.6 | 175 | -76.6 | 171.5 | 0 | 0 | 0 | 112.8 | K59 R60 L61 K67 | K59-L63 WeakPolarHBondContact O-CB 3.24Å; K59-L63 VanDerWaalsContact O-CG 3.24Å; K59-L63 WeakPolarHBondContact O-CG 3.39Å; K59-L63 PolarHBondContact O-N 3.47Å; R60-L63 PolarHBondContact O-N 3.35Å; L61-L63 VanDerWaalsContact C-N 3.3Å; L61-L63 PolarHBondContact O-N 2.8Å; L63-K67 WeakPolarHBondContact O-CB 3.16Å; L63-K67 VanDerWaalsContact O-CG 3.22Å; L63-K67 WeakPolarHBondContact O-CG 3.22Å; L63-K67 PolarHBondContact O-N 3.04Å |
| 64 | L | 95.7 | Very high | 96.4 | Very high | 89 Ų | 89 | 119.9 Ų | 119.9 | 47% | 0.466 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.8 | -41.3 | 177 | -72.3 | 171.9 | 0 | 0 | 0 | 111.3 | R60 L61 E62 K67 K68 | R60-L64 HydrophobicContact CG-CD1 4.25Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.48Å; R60-L64 PolarHBondContact O-N 3.31Å; L61-L64 CarbonylContact O-C 3.59Å; L61-L64 WeakPolarHBondContact O-CB 3.09Å; L61-L64 PolarHBondContact O-N 3.01Å; E62-L64 PolarHBondContact O-N 3.43Å; L64-K67 PolarHBondContact O-N 3.07Å; L64-K68 VanDerWaalsContact O-CB 3.31Å; L64-K68 WeakPolarHBondContact O-CB 3.47Å; L64-K68 PolarHBondContact O-N 3.4Å |
| 65 | E | 96.8 | Very high | 96.3 | Very high | 121 Ų | 121 | 120 Ų | 120 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.1 | -48.2 | 174.8 | -73.6 | 179.4 | 166.4 | 0 | 0 | 110.7 | L61 E62 K67 K68 E69 | L61-E65 WeakPolarHBondContact O-CG 3.49Å; L61-E65 PolarHBondContact O-N 2.85Å; E62-E65 PolarHBondContact O-N 2.96Å; E65-K67 VanDerWaalsContact C-N 3.3Å; E65-K67 PolarHBondContact O-N 3.09Å; E65-K68 CarbonylContact O-C 3.58Å; E65-K68 WeakPolarHBondContact O-CB 3.49Å; E65-K68 PolarHBondContact O-N 3.47Å; E65-E69 WeakPolarHBondContact O-CG 3.48Å; E65-E69 PolarHBondContact O-N 2.93Å |
| 66 | R | 97.6 | Very high | 96.1 | Very high | 150 Ų | 150 | 119.2 Ų | 119.2 | 57% | 0.566 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.8 | -41.9 | 174.7 | -166.5 | -177.8 | 84.3 | 172.1 | 7.7 | 112.3 | E62 N70 | E62-R66 VanDerWaalsContact O-CB 3.27Å; E62-R66 WeakPolarHBondContact O-CB 3.45Å; E62-R66 PolarHBondContact O-N 3.49Å; R66-N70 WeakPolarHBondContact O-CB 3.44Å; R66-N70 PolarHBondContact O-N 2.71Å; R66-N70 PolarHBondContact O-OD1 2.9Å |
| 67 | K | 97.6 | Very high | 96 | Very high | 141 Ų | 141 | 117 Ų | 117 | 61% | 0.613 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 175.2 | -78.8 | 176.9 | 179.6 | -172.3 | 0 | 111.8 | L63 L64 E65 N70 Q71 | L63-K67 WeakPolarHBondContact O-CB 3.16Å; L63-K67 VanDerWaalsContact O-CG 3.22Å; L63-K67 WeakPolarHBondContact O-CG 3.22Å; L63-K67 PolarHBondContact O-N 3.04Å; L64-K67 PolarHBondContact O-N 3.07Å; E65-K67 VanDerWaalsContact C-N 3.3Å; E65-K67 PolarHBondContact O-N 3.09Å; K67-N70 PolarHBondContact O-N 3.02Å; K67-Q71 WeakPolarHBondContact O-CB 3.2Å; K67-Q71 PolarHBondContact O-N 3.28Å |
| 68 | K | 97.1 | Very high | 95.6 | Very high | 163 Ų | 163 | 116.2 Ų | 116.2 | 71% | 0.709 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | 178.7 | -174.1 | 179.1 | 179.4 | -178.6 | 0 | 111.6 | L64 E65 Q71 R72 | L64-K68 VanDerWaalsContact O-CB 3.31Å; L64-K68 WeakPolarHBondContact O-CB 3.47Å; L64-K68 PolarHBondContact O-N 3.4Å; E65-K68 CarbonylContact O-C 3.58Å; E65-K68 WeakPolarHBondContact O-CB 3.49Å; E65-K68 PolarHBondContact O-N 3.47Å; K68-Q71 PolarHBondContact O-N 2.91Å; K68-R72 VanDerWaalsContact O-CB 3.32Å; K68-R72 WeakPolarHBondContact O-CB 3.45Å; K68-R72 PolarHBondContact O-N 3.29Å |
| 69 | E | 96.4 | Very high | 95.2 | Very high | 125 Ų | 125 | 112.5 Ų | 112.5 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66 | -45.3 | 175.1 | -72.3 | -178.3 | 164.7 | 0 | 0 | 111.7 | E65 Q71 R72 L73 | E65-E69 WeakPolarHBondContact O-CG 3.48Å; E65-E69 PolarHBondContact O-N 2.93Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.32Å; E69-R72 WeakPolarHBondContact O-CB 3.19Å; E69-R72 PolarHBondContact O-N 2.92Å; E69-L73 WeakPolarHBondContact O-CG 3.4Å; E69-L73 PolarHBondContact O-N 3.26Å |
| 70 | N | 96.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 115.6 Ų | 115.6 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 174.6 | -73.1 | -5.5 | 0 | 0 | 0 | 112 | R66 K67 R72 L73 L74 | R66-N70 WeakPolarHBondContact O-CB 3.44Å; R66-N70 PolarHBondContact O-N 2.71Å; R66-N70 PolarHBondContact O-OD1 2.9Å; K67-N70 PolarHBondContact O-N 3.02Å; N70-R72 VanDerWaalsContact C-N 3.34Å; N70-L73 PolarHBondContact O-N 3.4Å; N70-L74 WeakPolarHBondContact O-CB 3.38Å; N70-L74 PolarHBondContact O-N 3.1Å |
| 71 | Q | 95.8 | Very high | 93.9 | Very high | 97 Ų | 97 | 112 Ų | 112 | 45% | 0.453 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 176.3 | -175.5 | 62.2 | 37.4 | 0 | 0 | 111 | K67 K68 E69 L73 L74 D75 | K67-Q71 WeakPolarHBondContact O-CB 3.2Å; K67-Q71 PolarHBondContact O-N 3.28Å; K68-Q71 PolarHBondContact O-N 2.91Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.32Å; Q71-L73 VanDerWaalsContact C-N 3.35Å; Q71-L73 PolarHBondContact O-N 2.95Å; Q71-L74 WeakPolarHBondContact O-CB 3.27Å; Q71-L74 PolarHBondContact O-N 3.49Å; Q71-D75 PolarHBondContact NE2-OD1 2.98Å; Q71-D75 PolarHBondContact O-N 3.35Å |
| 72 | R | 96.4 | Very high | 92.8 | Very high | 162 Ų | 162 | 113.4 Ų | 113.4 | 61% | 0.611 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 176.7 | 179.8 | -175.6 | 168.7 | 175.3 | 1.1 | 111.8 | K68 E69 N70 D75 E76 | K68-R72 VanDerWaalsContact O-CB 3.32Å; K68-R72 WeakPolarHBondContact O-CB 3.45Å; K68-R72 PolarHBondContact O-N 3.29Å; E69-R72 WeakPolarHBondContact O-CB 3.19Å; E69-R72 PolarHBondContact O-N 2.92Å; N70-R72 VanDerWaalsContact C-N 3.34Å; R72-D75 PolarHBondContact O-N 2.96Å; R72-E76 IonicContact CZ-OE1 3.73Å; R72-E76 IonicContact NE-OE1 3.16Å; R72-E76 PolarHBondContact NE-OE1 3.19Å; R72-E76 IonicContact NH2-OE1 2.86Å; R72-E76 PolarHBondContact NH2-OE1 3.11Å; R72-E76 WeakPolarHBondContact O-CB 3.5Å; R72-E76 VanDerWaalsContact O-CG 3.32Å; R72-E76 WeakPolarHBondContact O-CG 3.49Å; R72-E76 PolarHBondContact O-N 3.3Å |
| 73 | L | 94.5 | Very high | 91.1 | Very high | 97 Ų | 97 | 109.2 Ų | 109.2 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.1 | -72.4 | 172.7 | 0 | 0 | 0 | 111.5 | E69 N70 Q71 D75 E76 E77 | E69-L73 WeakPolarHBondContact O-CG 3.4Å; E69-L73 PolarHBondContact O-N 3.26Å; N70-L73 PolarHBondContact O-N 3.4Å; Q71-L73 VanDerWaalsContact C-N 3.35Å; Q71-L73 PolarHBondContact O-N 2.95Å; L73-D75 VanDerWaalsContact C-N 3.34Å; L73-D75 PolarHBondContact O-N 2.96Å; L73-E76 PolarHBondContact O-N 3.34Å; L73-E77 WeakPolarHBondContact O-CG 3.17Å; L73-E77 PolarHBondContact O-N 3.42Å |
| 74 | L | 93.4 | Very high | 89.3 | Confident | 78 Ų | 78 | 113.1 Ų | 113.1 | 41% | 0.408 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.6 | -177.4 | 67.7 | 0 | 0 | 0 | 111.7 | N70 Q71 E77 N78 | N70-L74 WeakPolarHBondContact O-CB 3.38Å; N70-L74 PolarHBondContact O-N 3.1Å; Q71-L74 WeakPolarHBondContact O-CB 3.27Å; Q71-L74 PolarHBondContact O-N 3.49Å; L74-E77 PolarHBondContact O-N 3.15Å; L74-N78 VanDerWaalsContact O-CB 3.28Å; L74-N78 WeakPolarHBondContact O-CB 3.48Å; L74-N78 VanDerWaalsContact O-CG 3.25Å; L74-N78 PolarHBondContact O-N 2.92Å; L74-N78 PolarHBondContact O-ND2 2.89Å |
| 75 | D | 92.3 | Very high | 87.6 | Confident | 82 Ų | 82 | 111.2 Ų | 111.2 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 177.9 | -66.3 | -22.3 | 0 | 0 | 0 | 111.6 | Q71 R72 L73 N78 A79 | Q71-D75 PolarHBondContact NE2-OD1 2.98Å; Q71-D75 PolarHBondContact O-N 3.35Å; R72-D75 PolarHBondContact O-N 2.96Å; L73-D75 VanDerWaalsContact C-N 3.34Å; L73-D75 PolarHBondContact O-N 2.96Å; D75-N78 PolarHBondContact O-N 3.01Å; D75-A79 WeakPolarHBondContact O-CB 3.44Å; D75-A79 PolarHBondContact O-N 3.27Å |
| 76 | E | 93.9 | Very high | 85.6 | Confident | 76 Ų | 76 | 111.6 Ų | 111.6 | 36% | 0.355 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 174 | -74.2 | 177.3 | -165.6 | 0 | 0 | 111.8 | R72 L73 R80 | R72-E76 IonicContact CZ-OE1 3.73Å; R72-E76 IonicContact NE-OE1 3.16Å; R72-E76 PolarHBondContact NE-OE1 3.19Å; R72-E76 IonicContact NH2-OE1 2.86Å; R72-E76 PolarHBondContact NH2-OE1 3.11Å; R72-E76 WeakPolarHBondContact O-CB 3.5Å; R72-E76 VanDerWaalsContact O-CG 3.32Å; R72-E76 WeakPolarHBondContact O-CG 3.49Å; R72-E76 PolarHBondContact O-N 3.3Å; L73-E76 PolarHBondContact O-N 3.34Å; E76-R80 WeakPolarHBondContact O-CG 3.41Å; E76-R80 PolarHBondContact O-N 2.94Å; E76-R80 VanDerWaalsContact O-N 3.15Å |
| 77 | E | 93.3 | Very high | 83.5 | Confident | 115 Ų | 115 | 114.2 Ų | 114.2 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 173.1 | -73.1 | -179 | 169.5 | 0 | 0 | 111.7 | L73 L74 A79 R80 I81 | L73-E77 WeakPolarHBondContact O-CG 3.17Å; L73-E77 PolarHBondContact O-N 3.42Å; L74-E77 PolarHBondContact O-N 3.15Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 3.36Å; E77-R80 WeakPolarHBondContact O-CB 3.48Å; E77-R80 PolarHBondContact O-N 3.33Å; E77-R80 VanDerWaalsContact O-N 3.13Å; E77-I81 WeakPolarHBondContact O-CG1 3.39Å; E77-I81 PolarHBondContact O-N 2.84Å |
| 78 | N | 87.3 | Confident | 81.4 | Confident | 82 Ų | 82 | 113.6 Ų | 113.6 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 176.6 | -79.9 | -31.2 | 0 | 0 | 0 | 111.8 | L74 D75 I81 K82 | L74-N78 VanDerWaalsContact O-CB 3.28Å; L74-N78 WeakPolarHBondContact O-CB 3.48Å; L74-N78 VanDerWaalsContact O-CG 3.25Å; L74-N78 PolarHBondContact O-N 2.92Å; L74-N78 PolarHBondContact O-ND2 2.89Å; D75-N78 PolarHBondContact O-N 3.01Å; N78-I81 PolarHBondContact O-N 3.47Å; N78-K82 WeakPolarHBondContact O-CB 3.43Å; N78-K82 PolarHBondContact O-N 3.32Å |
| 79 | A | 90 | Very high | 79.4 | Confident | 66 Ų | 66 | 110 Ų | 110 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D75 E77 G83 | D75-A79 WeakPolarHBondContact O-CB 3.44Å; D75-A79 PolarHBondContact O-N 3.27Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 3.36Å; A79-G83 PolarHBondContact O-N 3.46Å; A79-G83 VanDerWaalsContact O-N 3.1Å |
| 80 | R | 88.1 | Confident | 77.1 | Confident | 198 Ų | 198 | 108.2 Ų | 108.2 | 75% | 0.747 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 175.3 | -72.1 | 175.7 | -177.2 | -174 | 3.8 | 111.9 | E76 E77 R84 | E76-R80 WeakPolarHBondContact O-CG 3.41Å; E76-R80 PolarHBondContact O-N 2.94Å; E76-R80 VanDerWaalsContact O-N 3.15Å; E77-R80 WeakPolarHBondContact O-CB 3.48Å; E77-R80 PolarHBondContact O-N 3.33Å; E77-R80 VanDerWaalsContact O-N 3.13Å; R80-R84 PolarHBondContact O-N 3.08Å |
| 81 | I | 80.3 | Confident | 74.9 | Confident | 105 Ų | 105 | 107.5 Ų | 107.5 | 54% | 0.538 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.1 | -44 | 178.9 | -65.2 | 168.7 | 0 | 0 | 0 | 110.6 | E77 N78 G83 R84 A85 | E77-I81 WeakPolarHBondContact O-CG1 3.39Å; E77-I81 PolarHBondContact O-N 2.84Å; N78-I81 PolarHBondContact O-N 3.47Å; I81-G83 VanDerWaalsContact C-N 3.29Å; I81-G83 PolarHBondContact O-N 2.88Å; I81-R84 CarbonylContact O-C 3.6Å; I81-R84 WeakPolarHBondContact O-CA 3.4Å; I81-R84 WeakPolarHBondContact O-CB 3.27Å; I81-R84 PolarHBondContact O-N 2.81Å; I81-A85 WeakPolarHBondContact O-CB 3.15Å; I81-A85 PolarHBondContact O-N 3.17Å |
| 82 | K | 71.4 | Confident | 73 | Confident | 132 Ų | 132 | 106.3 Ų | 106.3 | 57% | 0.574 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.2 | -37 | 179.2 | -170.7 | 174 | -176.7 | 177.3 | 0 | 112 | N78 R84 A85 Q86 | N78-K82 WeakPolarHBondContact O-CB 3.43Å; N78-K82 PolarHBondContact O-N 3.32Å; K82-R84 PolarHBondContact O-N 3.45Å; K82-A85 PolarHBondContact O-N 3.05Å; K82-Q86 HydrophobicContact CG-CG 4.4Å; K82-Q86 WeakPolarHBondContact O-CB 3.43Å; K82-Q86 WeakPolarHBondContact O-CG 3.39Å; K82-Q86 PolarHBondContact O-N 3.27Å |
| 83 | G | 61.4 | Low | 71.3 | Confident | 35 Ų | 35 | 101.6 Ų | 101.6 | 36% | 0.361 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.9 | -26.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A79 I81 R87 | A79-G83 PolarHBondContact O-N 3.46Å; A79-G83 VanDerWaalsContact O-N 3.1Å; I81-G83 VanDerWaalsContact C-N 3.29Å; I81-G83 PolarHBondContact O-N 2.88Å; G83-R87 WeakPolarHBondContact O-CG 3.2Å |
| 84 | R | 59.3 | Low | 69.8 | Low | 170 Ų | 170 | 106.4 Ų | 106.4 | 64% | 0.642 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -87.4 | -43.4 | 174.3 | -171.6 | 177.4 | 175.3 | 175 | 1.8 | 112.1 | R80 I81 K82 Q86 R87 E88 | R80-R84 PolarHBondContact O-N 3.08Å; I81-R84 CarbonylContact O-C 3.6Å; I81-R84 WeakPolarHBondContact O-CA 3.4Å; I81-R84 WeakPolarHBondContact O-CB 3.27Å; I81-R84 PolarHBondContact O-N 2.81Å; K82-R84 PolarHBondContact O-N 3.45Å; R84-Q86 PolarHBondContact O-N 2.88Å; R84-R87 WeakPolarHBondContact O-CB 3.47Å; R84-R87 PolarHBondContact O-N 3.13Å; R84-R87 VanDerWaalsContact O-N 3.08Å; R84-E88 IonicContact CZ-OE1 3.62Å; R84-E88 IonicContact NE-OE1 2.89Å; R84-E88 PolarHBondContact NE-OE1 2.88Å; R84-E88 IonicContact NH2-OE1 3.47Å; R84-E88 PolarHBondContact O-N 3.46Å |
| 85 | A | 59.3 | Low | 68.3 | Low | 49 Ų | 49 | 107.1 Ų | 107.1 | 41% | 0.405 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.1 | -35 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I81 K82 R87 E88 A89 | I81-A85 WeakPolarHBondContact O-CB 3.15Å; I81-A85 PolarHBondContact O-N 3.17Å; K82-A85 PolarHBondContact O-N 3.05Å; A85-R87 VanDerWaalsContact C-N 3.3Å; A85-R87 PolarHBondContact O-N 3.04Å; A85-E88 PolarHBondContact O-N 3.07Å; A85-A89 WeakPolarHBondContact O-CB 3.38Å; A85-A89 PolarHBondContact O-N 3.3Å |
| 86 | Q | 55.1 | Low | 67.6 | Low | 128 Ų | 128 | 107.2 Ų | 107.2 | 60% | 0.598 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.4 | -26.2 | 172.4 | -76.7 | -175.1 | -37 | 0 | 0 | 112.9 | K82 R84 A90 | K82-Q86 HydrophobicContact CG-CG 4.4Å; K82-Q86 WeakPolarHBondContact O-CB 3.43Å; K82-Q86 WeakPolarHBondContact O-CG 3.39Å; K82-Q86 PolarHBondContact O-N 3.27Å; R84-Q86 PolarHBondContact O-N 2.88Å; Q86-A90 WeakPolarHBondContact O-CB 3.3Å; Q86-A90 PolarHBondContact O-N 3.4Å |
| 87 | R | 53.6 | Low | 66.8 | Low | 205 Ų | 205 | 114 Ų | 114 | 77% | 0.774 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.5 | -34.9 | 174.3 | -70.8 | 178.8 | -169.4 | 172.8 | 4 | 112.3 | G83 R84 A85 | G83-R87 WeakPolarHBondContact O-CG 3.2Å; R84-R87 WeakPolarHBondContact O-CB 3.47Å; R84-R87 PolarHBondContact O-N 3.13Å; R84-R87 VanDerWaalsContact O-N 3.08Å; A85-R87 VanDerWaalsContact C-N 3.3Å; A85-R87 PolarHBondContact O-N 3.04Å |
| 88 | E | 54.5 | Low | 66.2 | Low | 128 Ų | 128 | 111.5 Ų | 111.5 | 60% | 0.598 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.2 | -32.2 | 176.7 | -71.5 | 171.9 | -169.8 | 0 | 0 | 111.9 | R84 A85 | R84-E88 IonicContact CZ-OE1 3.62Å; R84-E88 IonicContact NE-OE1 2.89Å; R84-E88 PolarHBondContact NE-OE1 2.88Å; R84-E88 IonicContact NH2-OE1 3.47Å; R84-E88 PolarHBondContact O-N 3.46Å; A85-E88 PolarHBondContact O-N 3.07Å |
| 89 | A | 53.8 | Low | 65.9 | Low | 87 Ų | 87 | 112.9 Ų | 112.9 | 72% | 0.719 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.9 | -22.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A85 A91 | A85-A89 WeakPolarHBondContact O-CB 3.38Å; A85-A89 PolarHBondContact O-N 3.3Å; A89-A91 VanDerWaalsContact C-N 3.31Å |
| 90 | A | 48.6 | Very low | 65.3 | Low | 88 Ų | 88 | 113.9 Ų | 113.9 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -8.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q86 | Q86-A90 WeakPolarHBondContact O-CB 3.3Å; Q86-A90 PolarHBondContact O-N 3.4Å |
| 91 | A | 51.4 | Low | 65.2 | Low | 77 Ų | 77 | 110.2 Ų | 110.2 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -104.3 | 53.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A89 G93 | A89-A91 VanDerWaalsContact C-N 3.31Å; A91-G93 VanDerWaalsContact C-N 3.31Å; A91-G93 PolarHBondContact O-N 3.08Å |
| 92 | G | 54.9 | Low | 65.4 | Low | 73 Ų | 73 | 109.7 Ų | 109.7 | 75% | 0.753 | 61% | 0.607 | S | S | * | * | trans | 38.4 | 41.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | K94 | G92-K94 PolarHBondContact O-N 3.34Š| ||
| 93 | G | 60 | Low | 66 | Low | 63 Ų | 63 | 107.4 Ų | 107.4 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | trans | -68 | 119.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A91 V95 | A91-G93 VanDerWaalsContact C-N 3.31Å; A91-G93 PolarHBondContact O-N 3.08Å; G93-V95 PolarHBondContact O-N 3.44Å | ||
| 94 | K | 63.4 | Low | 67.2 | Low | 198 Ų | 198 | 110.2 Ų | 110.2 | 86% | 0.861 | 61% | 0.61 | S | S | * | * | trans | -53.8 | 116 | 174.3 | -58.5 | 174.6 | -170.7 | -179.9 | 0 | 108.4 | G92 T96 | G92-K94 PolarHBondContact O-N 3.34Å; K94-T96 PolarHBondContact O-N 3.26Å | ||
| 95 | V | 63.4 | Low | 68.5 | Low | 92 Ų | 92 | 106.7 Ų | 106.7 | 56% | 0.558 | 60% | 0.601 | S | S | * | * | trans | -62.3 | 120.4 | -179.6 | -165.1 | 0 | 0 | 0 | 0 | 108 | G93 Q99 I100 | G93-V95 PolarHBondContact O-N 3.44Å; V95-Q99 HydrophobicContact CG1-CB 3.92Å; V95-Q99 HydrophobicContact CG1-CG 4.42Å; V95-I100 HydrophobicContact CB-CD1 4.49Å; V95-I100 HydrophobicContact CB-CG1 4.16Å; V95-I100 HydrophobicContact CG1-CD1 4.39Å; V95-I100 HydrophobicContact CG1-CG1 3.56Å | ||
| 96 | T | 76.1 | Confident | 69.6 | Low | 85 Ų | 85 | 108.7 Ų | 108.7 | 52% | 0.521 | 61% | 0.605 | S | S | . | * | trans | -75.4 | 149.3 | 177 | 50.7 | 0 | 0 | 0 | 0 | 109.8 | K94 A98 Q99 I100 | K94-T96 PolarHBondContact O-N 3.26Å; T96-A98 PolarHBondContact O-N 3.11Å; T96-A98 VanDerWaalsContact O-N 3.1Å; T96-Q99 WeakPolarHBondContact O-CA 3.48Å; T96-Q99 WeakPolarHBondContact O-CB 2.96Å; T96-Q99 PolarHBondContact O-N 3.25Å; T96-I100 PolarHBondContact O-N 2.91Å; T96-I100 VanDerWaalsContact O-N 3.16Å | ||
| 97 | R | 77.9 | Confident | 70.9 | Confident | 217 Ų | 217 | 108 Ų | 108 | 82% | 0.819 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -54.1 | -33.5 | -176.7 | 179.1 | 167.6 | 173 | 160.4 | -2.7 | 113.5 | Q99 I100 Q101 | R97-Q99 VanDerWaalsContact C-N 3.34Å; R97-I100 PolarHBondContact O-N 3.5Å; R97-Q101 PolarHBondContact O-N 3.34Å; R97-Q101 VanDerWaalsContact O-N 3.12Å |
| 98 | A | 80.4 | Confident | 72.2 | Confident | 63 Ų | 63 | 103.9 Ų | 103.9 | 52% | 0.521 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.7 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | T96 Q101 D102 | T96-A98 PolarHBondContact O-N 3.11Å; T96-A98 VanDerWaalsContact O-N 3.1Å; A98-Q101 WeakPolarHBondContact O-CB 3.04Å; A98-Q101 PolarHBondContact O-N 2.99Å; A98-D102 PolarHBondContact O-N 2.86Å |
| 99 | Q | 80 | Confident | 73.1 | Confident | 112 Ų | 112 | 102.6 Ų | 102.6 | 52% | 0.523 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.5 | -31.4 | -179.1 | -148.2 | 159.2 | 15.8 | 0 | 0 | 112.1 | V95 T96 R97 V103 | V95-Q99 HydrophobicContact CG1-CB 3.92Å; V95-Q99 HydrophobicContact CG1-CG 4.42Å; T96-Q99 WeakPolarHBondContact O-CA 3.48Å; T96-Q99 WeakPolarHBondContact O-CB 2.96Å; T96-Q99 PolarHBondContact O-N 3.25Å; R97-Q99 VanDerWaalsContact C-N 3.34Å; Q99-V103 VanDerWaalsContact O-CG2 3.24Å; Q99-V103 WeakPolarHBondContact O-CG2 3.42Å; Q99-V103 PolarHBondContact O-N 2.84Å |
| 100 | I | 79.1 | Confident | 74 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.5 | -41.2 | 169.8 | -60.7 | 174.5 | 0 | 0 | 0 | 110.5 | V95 T96 R97 V103 L104 | V95-I100 HydrophobicContact CB-CD1 4.49Å; V95-I100 HydrophobicContact CB-CG1 4.16Å; V95-I100 HydrophobicContact CG1-CD1 4.39Å; V95-I100 HydrophobicContact CG1-CG1 3.56Å; T96-I100 PolarHBondContact O-N 2.91Å; T96-I100 VanDerWaalsContact O-N 3.16Å; R97-I100 PolarHBondContact O-N 3.5Å; I100-V103 PolarHBondContact O-N 3.48Å; I100-L104 HydrophobicContact CG2-CD1 4.04Å; I100-L104 WeakPolarHBondContact O-CB 3.38Å; I100-L104 PolarHBondContact O-N 3.37Å |
| 101 | Q | 86.2 | Confident | 75 | Confident | 120 Ų | 120 | 106.6 Ų | 106.6 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.8 | -40.1 | 178.6 | -172.3 | 172.5 | -16.2 | 0 | 0 | 111.9 | R97 A98 L104 Q105 | R97-Q101 PolarHBondContact O-N 3.34Å; R97-Q101 VanDerWaalsContact O-N 3.12Å; A98-Q101 WeakPolarHBondContact O-CB 3.04Å; A98-Q101 PolarHBondContact O-N 2.99Å; Q101-L104 PolarHBondContact O-N 2.95Å; Q101-Q105 VanDerWaalsContact O-CB 3.31Å; Q101-Q105 WeakPolarHBondContact O-CB 3.46Å; Q101-Q105 PolarHBondContact O-N 3.41Å |
| 102 | D | 83.6 | Confident | 75.7 | Confident | 94 Ų | 94 | 108 Ų | 108 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.2 | -40.2 | 175.3 | -74.7 | -14.9 | 0 | 0 | 0 | 112 | A98 Q105 N106 | A98-D102 PolarHBondContact O-N 2.86Å; D102-Q105 PolarHBondContact O-N 3.04Å; D102-N106 WeakPolarHBondContact O-CB 3.3Å; D102-N106 PolarHBondContact O-N 2.96Å |
| 103 | V | 84.7 | Confident | 76 | Confident | 85 Ų | 85 | 111.6 Ų | 111.6 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -46.4 | 174.8 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | Q99 I100 Q105 N106 E107 | Q99-V103 VanDerWaalsContact O-CG2 3.24Å; Q99-V103 WeakPolarHBondContact O-CG2 3.42Å; Q99-V103 PolarHBondContact O-N 2.84Å; I100-V103 PolarHBondContact O-N 3.48Å; V103-Q105 VanDerWaalsContact C-N 3.31Å; V103-Q105 PolarHBondContact O-N 3.28Å; V103-N106 PolarHBondContact O-N 3.43Å; V103-E107 VanDerWaalsContact O-CB 3.27Å; V103-E107 WeakPolarHBondContact O-CB 3.3Å; V103-E107 PolarHBondContact O-N 2.83Å |
| 104 | L | 86 | Confident | 75.8 | Confident | 93 Ų | 93 | 116.1 Ų | 116.1 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.5 | -39 | 175.3 | -91.7 | 159 | 0 | 0 | 0 | 112.7 | I100 Q101 E107 Q108 | I100-L104 HydrophobicContact CG2-CD1 4.04Å; I100-L104 WeakPolarHBondContact O-CB 3.38Å; I100-L104 PolarHBondContact O-N 3.37Å; Q101-L104 PolarHBondContact O-N 2.95Å; L104-E107 PolarHBondContact O-N 2.96Å; L104-Q108 WeakPolarHBondContact O-CB 3.36Å; L104-Q108 WeakPolarHBondContact O-CG 3.24Å; L104-Q108 PolarHBondContact O-N 3.34Å |
| 105 | Q | 85.9 | Confident | 75.6 | Confident | 96 Ų | 96 | 113.1 Ų | 113.1 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.2 | -40.8 | 178.5 | -172.6 | 172.5 | -2.4 | 0 | 0 | 111.4 | Q101 D102 V103 Q108 Q109 | Q101-Q105 VanDerWaalsContact O-CB 3.31Å; Q101-Q105 WeakPolarHBondContact O-CB 3.46Å; Q101-Q105 PolarHBondContact O-N 3.41Å; D102-Q105 PolarHBondContact O-N 3.04Å; V103-Q105 VanDerWaalsContact C-N 3.31Å; V103-Q105 PolarHBondContact O-N 3.28Å; Q105-Q108 PolarHBondContact O-N 3.42Å; Q105-Q109 WeakPolarHBondContact O-CB 3.19Å; Q105-Q109 WeakPolarHBondContact O-CG 3.31Å; Q105-Q109 PolarHBondContact O-N 3.1Å |
| 106 | N | 82.7 | Confident | 75.2 | Confident | 91 Ų | 91 | 114.4 Ų | 114.4 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.9 | -38.6 | 173.6 | -82.5 | -15.9 | 0 | 0 | 0 | 112.1 | D102 V103 Q109 Q110 | D102-N106 WeakPolarHBondContact O-CB 3.3Å; D102-N106 PolarHBondContact O-N 2.96Å; V103-N106 PolarHBondContact O-N 3.43Å; N106-Q109 PolarHBondContact O-N 3.32Å; N106-Q110 WeakPolarHBondContact O-CB 3.37Å; N106-Q110 WeakPolarHBondContact O-CG 3.19Å; N106-Q110 PolarHBondContact O-N 2.99Å |
| 107 | E | 82.7 | Confident | 74.5 | Confident | 114 Ų | 114 | 118 Ų | 118 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.9 | -39.9 | 177.5 | -157.9 | 171.5 | -170 | 0 | 0 | 110.8 | V103 L104 Q110 E111 | V103-E107 VanDerWaalsContact O-CB 3.27Å; V103-E107 WeakPolarHBondContact O-CB 3.3Å; V103-E107 PolarHBondContact O-N 2.83Å; L104-E107 PolarHBondContact O-N 2.96Å; E107-Q110 PolarHBondContact O-N 3.06Å; E107-E111 WeakPolarHBondContact O-CB 3.38Å; E107-E111 PolarHBondContact O-N 3.36Å |
| 108 | Q | 80.5 | Confident | 73.7 | Confident | 118 Ų | 118 | 116.9 Ų | 116.9 | 55% | 0.551 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.1 | -39.1 | 170.3 | -79.7 | -175 | 7.3 | 0 | 0 | 112.9 | L104 Q105 E111 L112 | L104-Q108 WeakPolarHBondContact O-CB 3.36Å; L104-Q108 WeakPolarHBondContact O-CG 3.24Å; L104-Q108 PolarHBondContact O-N 3.34Å; Q105-Q108 PolarHBondContact O-N 3.42Å; Q108-E111 PolarHBondContact O-N 3.27Å; Q108-L112 WeakPolarHBondContact O-CB 3.21Å; Q108-L112 WeakPolarHBondContact O-CG 3.32Å; Q108-L112 PolarHBondContact O-N 2.63Å |
| 109 | Q | 74.3 | Confident | 72.7 | Confident | 102 Ų | 102 | 120.9 Ų | 120.9 | 48% | 0.477 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.7 | -40.9 | 175.3 | -77.1 | -179.2 | -6.8 | 0 | 0 | 111.4 | Q105 N106 L112 E113 | Q105-Q109 WeakPolarHBondContact O-CB 3.19Å; Q105-Q109 WeakPolarHBondContact O-CG 3.31Å; Q105-Q109 PolarHBondContact O-N 3.1Å; N106-Q109 PolarHBondContact O-N 3.32Å; Q109-L112 PolarHBondContact O-N 3.43Å; Q109-E113 WeakPolarHBondContact O-CG 3.3Å; Q109-E113 PolarHBondContact O-N 3.12Å |
| 110 | Q | 71.8 | Confident | 71.7 | Confident | 126 Ų | 126 | 119 Ų | 119 | 59% | 0.589 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.6 | -40.7 | 173.1 | -77.7 | -176.6 | -0.2 | 0 | 0 | 111.8 | N106 E107 L112 E113 M114 | N106-Q110 WeakPolarHBondContact O-CB 3.37Å; N106-Q110 WeakPolarHBondContact O-CG 3.19Å; N106-Q110 PolarHBondContact O-N 2.99Å; E107-Q110 PolarHBondContact O-N 3.06Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 2.65Å; Q110-E113 CarbonylContact O-C 3.6Å; Q110-E113 PolarHBondContact O-N 2.9Å; Q110-M114 WeakPolarHBondContact O-CB 3.36Å; Q110-M114 WeakPolarHBondContact O-CG 3.38Å; Q110-M114 PolarHBondContact O-N 2.92Å |
| 111 | E | 70.3 | Confident | 70.9 | Confident | 132 Ų | 132 | 123.1 Ų | 123.1 | 62% | 0.617 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.7 | -36.6 | 172.8 | -87.4 | -169.1 | 142.8 | 0 | 0 | 112.2 | E107 Q108 M114 K115 | E107-E111 WeakPolarHBondContact O-CB 3.38Å; E107-E111 PolarHBondContact O-N 3.36Å; Q108-E111 PolarHBondContact O-N 3.27Å; E111-M114 CarbonylContact O-C 3.59Å; E111-M114 PolarHBondContact O-N 3Å; E111-K115 WeakPolarHBondContact O-CG 3.41Å; E111-K115 PolarHBondContact O-N 2.87Å |
| 112 | L | 66 | Low | 69.7 | Low | 108 Ų | 108 | 125.5 Ų | 125.5 | 57% | 0.565 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.7 | -31.5 | 175.3 | -71.9 | 168.4 | 0 | 0 | 0 | 112.7 | Q108 Q109 Q110 K115 | Q108-L112 WeakPolarHBondContact O-CB 3.21Å; Q108-L112 WeakPolarHBondContact O-CG 3.32Å; Q108-L112 PolarHBondContact O-N 2.63Å; Q109-L112 PolarHBondContact O-N 3.43Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 2.65Å; L112-K115 HydrophobicContact CD2-CD 4.38Å |
| 113 | E | 61.1 | Low | 68.6 | Low | 148 Ų | 148 | 127.2 Ų | 127.2 | 69% | 0.692 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.9 | -30.3 | 172 | -72.9 | -170 | 156.3 | 0 | 0 | 113 | Q109 Q110 | Q109-E113 WeakPolarHBondContact O-CG 3.3Å; Q109-E113 PolarHBondContact O-N 3.12Å; Q110-E113 CarbonylContact O-C 3.6Å; Q110-E113 PolarHBondContact O-N 2.9Å |
| 114 | M | 56.7 | Low | 67.7 | Low | 157 Ų | 157 | 126.1 Ų | 126.1 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -84.2 | -12.3 | 177.1 | -69 | -87.1 | -70.4 | 0 | 0 | 112.9 | Q110 E111 | Q110-M114 WeakPolarHBondContact O-CB 3.36Å; Q110-M114 WeakPolarHBondContact O-CG 3.38Å; Q110-M114 PolarHBondContact O-N 2.92Å; E111-M114 CarbonylContact O-C 3.59Å; E111-M114 PolarHBondContact O-N 3Å |
| 115 | K | 58.5 | Low | 67.1 | Low | 136 Ų | 136 | 127.3 Ų | 127.3 | 59% | 0.591 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -58.8 | 125 | 163.9 | -83.5 | -175.5 | -173 | -176.9 | 0 | 107.3 | E111 L112 K117 | E111-K115 WeakPolarHBondContact O-CG 3.41Å; E111-K115 PolarHBondContact O-N 2.87Å; L112-K115 HydrophobicContact CD2-CD 4.38Å; K115-K117 PolarHBondContact O-N 2.99Å |
| 116 | P | 54 | Low | 66.4 | Low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | trans | -63.2 | 104.4 | -173.4 | 25.7 | -33 | 0 | 0 | 0 | 108.1 | E118 | P116-E118 PolarHBondContact O-N 3.31Š| ||
| 117 | K | 62.3 | Low | 65.7 | Low | 161 Ų | 161 | 134.8 Ų | 134.8 | 70% | 0.7 | 67% | 0.669 | S | S | * | * | trans | -56.5 | 132.3 | 161.8 | -68.3 | 177.8 | -177.2 | 170.7 | 0 | 105.8 | K115 K119 | K115-K117 PolarHBondContact O-N 2.99Å; K117-K119 PolarHBondContact O-N 3.26Å | ||
| 118 | E | 60.8 | Low | 65.2 | Low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 68% | 0.677 | S | S | * | * | trans | -49.1 | 117.1 | 179.3 | -66.5 | 178.9 | 163.9 | 0 | 0 | 108.5 | P116 S120 | P116-E118 PolarHBondContact O-N 3.31Å; E118-S120 PolarHBondContact O-N 3.22Å | ||
| 119 | K | 58.7 | Low | 64.9 | Low | 147 Ų | 147 | 135.9 Ų | 135.9 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | trans | -56.3 | 110.9 | -173.4 | -65.6 | 179.3 | -179.8 | 178.2 | 0 | 107.7 | K117 E123 | K117-K119 PolarHBondContact O-N 3.26Å; K119-E123 HydrophobicContact CB-CB 4.02Å; K119-E123 HydrophobicContact CG-CB 4.48Å | ||
| 120 | S | 60 | Low | 64.8 | Low | 71 Ų | 71 | 138.9 Ų | 138.9 | 50% | 0.497 | 70% | 0.695 | S | S | . | * | trans | -58.1 | 156.6 | 176.1 | 68.5 | 0 | 0 | 0 | 0 | 109.4 | E118 L122 E123 | E118-S120 PolarHBondContact O-N 3.22Å; S120-L122 PolarHBondContact O-N 2.86Å; S120-E123 PolarHBondContact O-N 2.78Å | ||
| 121 | H | 62 | Low | 64.7 | Low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.806 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -8.3 | 176 | -87.9 | -69.4 | 0 | 0 | 0 | 115.1 | T124 | H121-T124 PolarHBondContact O-OG1 2.85Š|
| 122 | L | 61.3 | Low | 64.5 | Low | 170 Ų | 170 | 142 Ų | 142 | 89% | 0.89 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -23.2 | 171.7 | -122.9 | 79 | 0 | 0 | 0 | 114.2 | S120 | S120-L122 PolarHBondContact O-N 2.86Š|
| 123 | E | 59.7 | Low | 64.4 | Low | 131 Ų | 131 | 143.2 Ų | 143.2 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -18.8 | -178 | -91.2 | -176.2 | 157.2 | 0 | 0 | 113.7 | K119 S120 P125 | K119-E123 HydrophobicContact CB-CB 4.02Å; K119-E123 HydrophobicContact CG-CB 4.48Å; S120-E123 PolarHBondContact O-N 2.78Å; E123-P125 WeakPolarHBondContact O-CD 3.47Å |
| 124 | T | 66.3 | Low | 64.3 | Low | 61 Ų | 61 | 140.7 Ų | 140.7 | 37% | 0.374 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -75.2 | 118.3 | 167.6 | 45.4 | 0 | 0 | 0 | 0 | 108.7 | H121 L126 | H121-T124 PolarHBondContact O-OG1 2.85Å; T124-L126 PolarHBondContact O-N 3.43Å |
| 125 | P | 73.1 | Confident | 64.3 | Low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 129.2 | 175 | 25.1 | -31.7 | 0 | 0 | 0 | 108.5 | E123 E127 | E123-P125 WeakPolarHBondContact O-CD 3.47Å; P125-E127 PolarHBondContact O-N 2.86Å |
| 126 | L | 70.8 | Confident | 64.2 | Low | 153 Ų | 153 | 136.4 Ų | 136.4 | 80% | 0.801 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 128 | 176 | -84.8 | 73.7 | 0 | 0 | 0 | 108.5 | T124 E128 | T124-L126 PolarHBondContact O-N 3.43Å; L126-E128 PolarHBondContact O-N 2.9Å |
| 127 | E | 69.3 | Low | 64.3 | Low | 190 Ų | 190 | 140.7 Ų | 140.7 | 89% | 0.888 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.4 | 171.9 | -69.3 | -179.9 | 173.4 | 0 | 0 | 109.1 | P125 N129 | P125-E127 PolarHBondContact O-N 2.86Å; E127-N129 PolarHBondContact O-N 2.91Å |
| 128 | E | 72.1 | Confident | 64 | Low | 150 Ų | 150 | 136.6 Ų | 136.6 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 135.8 | -178.2 | -62.5 | -169.9 | 146.7 | 0 | 0 | 110.2 | L126 I130 | L126-E128 PolarHBondContact O-N 2.9Å; E128-I130 PolarHBondContact O-N 3.22Å |
| 129 | N | 73.4 | Confident | 63.8 | Low | 105 Ų | 105 | 130.7 Ų | 130.7 | 56% | 0.561 | 69% | 0.687 | S | S | * | * | trans | -66.5 | 109 | -179.9 | -171.6 | -18.9 | 0 | 0 | 0 | 109.5 | E127 N131 R132 | E127-N129 PolarHBondContact O-N 2.91Å; N129-N131 PolarHBondContact O-N 3.36Å; N129-N131 PolarHBondContact OD1-N 2.95Å; N129-N131 VanDerWaalsContact OD1-N 3.11Å; N129-R132 HydrophobicContact CB-CB 4.37Å; N129-R132 VanDerWaalsContact O-CB 3.32Å; N129-R132 WeakPolarHBondContact O-CB 3.37Å; N129-R132 PolarHBondContact O-N 3.07Å | ||
| 130 | I | 72.6 | Confident | 64.1 | Low | 166 Ų | 166 | 128 Ų | 128 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -19.8 | 176.9 | 18.7 | 169.3 | 0 | 0 | 0 | 114.6 | E128 | E128-I130 PolarHBondContact O-N 3.22Š|
| 131 | N | 69.8 | Low | 64.4 | Low | 143 Ų | 143 | 129.4 Ų | 129.4 | 77% | 0.765 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -4.7 | 175.4 | -64.4 | -41.1 | 0 | 0 | 0 | 113.8 | N129 V133 | N129-N131 PolarHBondContact O-N 3.36Å; N129-N131 PolarHBondContact OD1-N 2.95Å; N129-N131 VanDerWaalsContact OD1-N 3.11Å; N131-V133 PolarHBondContact O-N 3.35Å |
| 132 | R | 66.9 | Low | 65 | Low | 179 Ų | 179 | 123.1 Ų | 123.1 | 68% | 0.675 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -86.5 | 100.2 | 169.9 | -172.4 | 178 | 170.3 | -132 | -4.3 | 106.9 | N129 I134 | N129-R132 HydrophobicContact CB-CB 4.37Å; N129-R132 VanDerWaalsContact O-CB 3.32Å; N129-R132 WeakPolarHBondContact O-CB 3.37Å; N129-R132 PolarHBondContact O-N 3.07Å; R132-I134 VanDerWaalsContact C-N 3.29Å; R132-I134 PolarHBondContact O-N 3.43Å |
| 133 | V | 62.1 | Low | 65.8 | Low | 135 Ų | 135 | 124.6 Ų | 124.6 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | trans | -63.3 | 94.9 | 170.8 | -175.9 | 0 | 0 | 0 | 0 | 107 | N131 A135 | N131-V133 PolarHBondContact O-N 3.35Å; V133-A135 PolarHBondContact O-N 3.19Å | ||
| 134 | I | 59.2 | Low | 67 | Low | 94 Ų | 94 | 122.1 Ų | 122.1 | 48% | 0.482 | 65% | 0.647 | S | S | . | * | trans | -67.3 | 113 | 163.5 | -60.4 | 172.4 | 0 | 0 | 0 | 103.7 | R132 E136 | R132-I134 VanDerWaalsContact C-N 3.29Å; R132-I134 PolarHBondContact O-N 3.43Å; I134-E136 PolarHBondContact O-N 3.28Å | ||
| 135 | A | 58.6 | Low | 67.7 | Low | 32 Ų | 32 | 126 Ų | 126 | 26% | 0.264 | 66% | 0.664 | S | S | . | * | trans | -53 | 119.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107 | V133 E141 | V133-A135 PolarHBondContact O-N 3.19Å; A135-E141 HydrophobicContact CB-CG 4.35Å | ||
| 136 | E | 56.3 | Low | 67.9 | Low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -46.2 | 146 | -172.7 | -150.2 | 175.4 | -165.1 | 0 | 0 | 110.9 | I134 G138 S139 | I134-E136 PolarHBondContact O-N 3.28Å; E136-G138 PolarHBondContact O-N 3.43Å; E136-S139 PolarHBondContact O-N 2.94Å | ||
| 137 | E | 54.6 | Low | 68.4 | Low | 209 Ų | 209 | 124.1 Ų | 124.1 | 98% | 0.977 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 80.9 | -176.8 | -138.9 | 176.9 | -168.8 | 0 | 0 | 110.6 | ||
| 138 | G | 55.7 | Low | 69 | Low | 74 Ų | 74 | 116.6 Ų | 116.6 | 76% | 0.763 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.9 | -15.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E136 V140 | E136-G138 PolarHBondContact O-N 3.43Å; G138-V140 PolarHBondContact O-N 3.3Å |
| 139 | S | 58.2 | Low | 69.3 | Low | 69 Ų | 69 | 114.3 Ų | 114.3 | 48% | 0.483 | 60% | 0.603 | S | S | . | * | trans | -78 | 107.7 | 171 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | E136 E141 | E136-S139 PolarHBondContact O-N 2.94Å; S139-E141 PolarHBondContact O-N 3.45Å | ||
| 140 | V | 63.9 | Low | 69.5 | Low | 92 Ų | 92 | 113.5 Ų | 113.5 | 56% | 0.558 | 61% | 0.605 | S | S | * | * | trans | -72.6 | 100.4 | 174 | -169.5 | 0 | 0 | 0 | 0 | 108.9 | G138 A142 V151 | G138-V140 PolarHBondContact O-N 3.3Å; V140-A142 PolarHBondContact O-N 3.09Å; V140-A142 VanDerWaalsContact O-N 3.15Å; V140-V151 HydrophobicContact CB-CG1 4.21Å; V140-V151 HydrophobicContact CB-CG2 3.92Å; V140-V151 HydrophobicContact CG1-CG2 3.39Å | ||
| 141 | E | 67.3 | Low | 69.7 | Low | 100 Ų | 100 | 109 Ų | 109 | 47% | 0.467 | 59% | 0.585 | S | S | . | * | trans | -72.6 | 100.4 | 172.6 | -70.4 | -175.2 | 169.2 | 0 | 0 | 109.9 | A135 S139 R143 | A135-E141 HydrophobicContact CB-CG 4.35Å; S139-E141 PolarHBondContact O-N 3.45Å; E141-R143 PolarHBondContact O-N 3.02Å; E141-R143 VanDerWaalsContact O-N 3.17Å; E141-R143 IonicContact OE2-CZ 3.97Å; E141-R143 IonicContact OE2-NE 2.99Å; E141-R143 PolarHBondContact OE2-NE 2.8Å; E141-R143 IonicContact OE2-NH2 3.83Å; E141-R143 PolarHBondContact OE2-NH2 2.93Å | ||
| 142 | A | 72.9 | Confident | 70 | Confident | 41 Ų | 41 | 108.8 Ų | 108.8 | 34% | 0.339 | 58% | 0.583 | S | S | . | * | trans | -72.4 | 107.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V140 E147 A148 | V140-A142 PolarHBondContact O-N 3.09Å; V140-A142 VanDerWaalsContact O-N 3.15Å; A142-E147 HydrophobicContact CB-CB 4.04Å; A142-E147 HydrophobicContact CB-CG 3.93Å; A142-A148 HydrophobicContact CB-CB 3.66Å; A142-A148 VanDerWaalsContact CB-N 3.26Å | ||
| 143 | R | 79.4 | Confident | 70.2 | Confident | 201 Ų | 201 | 103.5 Ų | 103.5 | 76% | 0.758 | 57% | 0.574 | S | S | * | * | trans | -88.9 | -14 | 179 | -65 | -177.2 | 179.2 | 179.4 | 1.5 | 112.7 | E141 E147 | E141-R143 PolarHBondContact O-N 3.02Å; E141-R143 VanDerWaalsContact O-N 3.17Å; E141-R143 IonicContact OE2-CZ 3.97Å; E141-R143 IonicContact OE2-NE 2.99Å; E141-R143 PolarHBondContact OE2-NE 2.8Å; E141-R143 IonicContact OE2-NH2 3.83Å; E141-R143 PolarHBondContact OE2-NH2 2.93Å; R143-E147 PolarHBondContact N-OE2 2.94Å | ||
| 144 | T | 84.1 | Confident | 70.2 | Confident | 80 Ų | 80 | 104.3 Ų | 104.3 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -123.9 | 157.5 | 178.3 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | E146 E147 A148 | T144-E146 VanDerWaalsContact C-N 3.27Å; T144-E146 PolarHBondContact O-N 3.47Å; T144-E147 PolarHBondContact O-N 3.46Å; T144-E147 WeakPolarHBondContact OG1-CB 3.39Å; T144-E147 PolarHBondContact OG1-N 3.16Å; T144-A148 PolarHBondContact O-N 3.23Å |
| 145 | I | 81.8 | Confident | 70.3 | Confident | 142 Ų | 142 | 102 Ų | 102 | 73% | 0.728 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.2 | -40.2 | 179.8 | -60.8 | 172.4 | 0 | 0 | 0 | 110.4 | A148 I149 | I145-A148 PolarHBondContact O-N 3.09Å; I145-I149 HydrophobicContact CG2-CD1 3.89Å; I145-I149 WeakPolarHBondContact O-CD1 3.2Å; I145-I149 VanDerWaalsContact O-CG1 3.22Å; I145-I149 WeakPolarHBondContact O-CG1 3.34Å; I145-I149 PolarHBondContact O-N 3.15Å |
| 146 | E | 78 | Confident | 70 | Confident | 161 Ų | 161 | 104.5 Ų | 104.5 | 75% | 0.752 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.8 | -41.9 | 177.3 | -69.9 | 173.3 | 179.8 | 0 | 0 | 112.1 | T144 A148 I149 S150 | T144-E146 VanDerWaalsContact C-N 3.27Å; T144-E146 PolarHBondContact O-N 3.47Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 3.36Å; E146-I149 PolarHBondContact O-N 3.02Å; E146-S150 WeakPolarHBondContact O-CB 3.46Å; E146-S150 PolarHBondContact O-N 3.04Å |
| 147 | E | 80.3 | Confident | 70.1 | Confident | 72 Ų | 72 | 105.3 Ų | 105.3 | 34% | 0.336 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.1 | -36.4 | 175.7 | -168.5 | 177.7 | -162.9 | 0 | 0 | 111.4 | A142 R143 T144 S150 V151 | A142-E147 HydrophobicContact CB-CB 4.04Å; A142-E147 HydrophobicContact CB-CG 3.93Å; R143-E147 PolarHBondContact N-OE2 2.94Å; T144-E147 PolarHBondContact O-N 3.46Å; T144-E147 WeakPolarHBondContact OG1-CB 3.39Å; T144-E147 PolarHBondContact OG1-N 3.16Å; E147-S150 PolarHBondContact O-N 3.37Å; E147-V151 WeakPolarHBondContact O-CB 3.17Å; E147-V151 VanDerWaalsContact O-CG2 3.26Å; E147-V151 WeakPolarHBondContact O-CG2 3.39Å; E147-V151 PolarHBondContact O-N 3.23Å |
| 148 | A | 81.1 | Confident | 70.3 | Confident | 32 Ų | 32 | 101 Ų | 101 | 26% | 0.264 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A142 T144 I145 E146 S150 L152 | A142-A148 HydrophobicContact CB-CB 3.66Å; A142-A148 VanDerWaalsContact CB-N 3.26Å; T144-A148 PolarHBondContact O-N 3.23Å; I145-A148 PolarHBondContact O-N 3.09Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 3.36Å; A148-S150 VanDerWaalsContact C-N 3.34Å; A148-L152 WeakPolarHBondContact O-CB 3.38Å; A148-L152 WeakPolarHBondContact O-CD1 3.45Å; A148-L152 VanDerWaalsContact O-CG 3.27Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.09Å |
| 149 | I | 78.6 | Confident | 70.6 | Confident | 101 Ų | 101 | 100.1 Ų | 100.1 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -39.2 | 174.6 | -67.9 | 163.6 | 0 | 0 | 0 | 110.8 | I145 E146 S153 | I145-I149 HydrophobicContact CG2-CD1 3.89Å; I145-I149 WeakPolarHBondContact O-CD1 3.2Å; I145-I149 VanDerWaalsContact O-CG1 3.22Å; I145-I149 WeakPolarHBondContact O-CG1 3.34Å; I145-I149 PolarHBondContact O-N 3.15Å; E146-I149 PolarHBondContact O-N 3.02Å; I149-S153 WeakPolarHBondContact O-CA 3.39Å; I149-S153 WeakPolarHBondContact O-CB 3.39Å; I149-S153 PolarHBondContact O-N 2.93Å; I149-S153 PolarHBondContact O-OG 3.17Å |
| 150 | S | 77.5 | Confident | 71 | Confident | 88 Ų | 88 | 98.9 Ų | 98.9 | 62% | 0.615 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65 | -48.8 | 177.6 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | E146 E147 A148 L152 S153 | E146-S150 WeakPolarHBondContact O-CB 3.46Å; E146-S150 PolarHBondContact O-N 3.04Å; E147-S150 PolarHBondContact O-N 3.37Å; A148-S150 VanDerWaalsContact C-N 3.34Å; S150-L152 PolarHBondContact O-N 2.77Å; S150-S153 PolarHBondContact O-N 3.17Å |
| 151 | V | 78.4 | Confident | 71.4 | Confident | 71 Ų | 71 | 100.6 Ų | 100.6 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.5 | -35.9 | -179.2 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | V140 E147 | V140-V151 HydrophobicContact CB-CG1 4.21Å; V140-V151 HydrophobicContact CB-CG2 3.92Å; V140-V151 HydrophobicContact CG1-CG2 3.39Å; E147-V151 WeakPolarHBondContact O-CB 3.17Å; E147-V151 VanDerWaalsContact O-CG2 3.26Å; E147-V151 WeakPolarHBondContact O-CG2 3.39Å; E147-V151 PolarHBondContact O-N 3.23Å |
| 152 | L | 75.4 | Confident | 71.8 | Confident | 139 Ų | 139 | 99.6 Ų | 99.6 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -89.2 | -11.2 | -179.9 | -65.6 | 169 | 0 | 0 | 0 | 113.6 | A148 S150 T154 | A148-L152 WeakPolarHBondContact O-CB 3.38Å; A148-L152 WeakPolarHBondContact O-CD1 3.45Å; A148-L152 VanDerWaalsContact O-CG 3.27Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.09Å; S150-L152 PolarHBondContact O-N 2.77Å; L152-T154 PolarHBondContact O-N 2.85Å |
| 153 | S | 70.9 | Confident | 72.2 | Confident | 68 Ų | 68 | 98.3 Ų | 98.3 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | trans | -73 | 98.8 | 175.9 | -80.5 | 0 | 0 | 0 | 0 | 109.9 | I149 S150 G155 | I149-S153 WeakPolarHBondContact O-CA 3.39Å; I149-S153 WeakPolarHBondContact O-CB 3.39Å; I149-S153 PolarHBondContact O-N 2.93Å; I149-S153 PolarHBondContact O-OG 3.17Å; S150-S153 PolarHBondContact O-N 3.17Å; S153-G155 PolarHBondContact O-N 3.14Å; S153-G155 VanDerWaalsContact O-N 3.09Å | ||
| 154 | T | 62 | Low | 72.3 | Confident | 152 Ų | 152 | 96.6 Ų | 96.6 | 93% | 0.933 | 53% | 0.525 | S | S | * | . | trans | -76.2 | 23.8 | 161 | 62.2 | 0 | 0 | 0 | 0 | 111.9 | L152 | L152-T154 PolarHBondContact O-N 2.85Š| ||
| 155 | G | 60.9 | Low | 72.2 | Confident | 45 Ų | 45 | 102.3 Ų | 102.3 | 46% | 0.464 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -100.7 | 141.4 | -178 | 0 | 0 | 0 | 0 | 0 | 110.4 | S153 E157 | S153-G155 PolarHBondContact O-N 3.14Å; S153-G155 VanDerWaalsContact O-N 3.09Å; G155-E157 PolarHBondContact O-N 3.1Å |
| 156 | P | 53.6 | Low | 72.2 | Confident | 85 Ų | 85 | 100.7 Ų | 100.7 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | trans | -64.6 | 115.9 | -158.4 | 25.9 | -35.5 | 0 | 0 | 0 | 112.3 | D158 L159 | P156-D158 PolarHBondContact O-N 3.12Å; P156-D158 VanDerWaalsContact O-N 3.08Å; P156-L159 HydrophobicContact CB-CD2 3.96Å; P156-L159 HydrophobicContact CB-CG 3.86Å; P156-L159 HydrophobicContact CG-CD1 3.49Å; P156-L159 VanDerWaalsContact CG-CD1 3.49Å; P156-L159 HydrophobicContact CG-CD2 3.68Å; P156-L159 HydrophobicContact CG-CG 3.31Å | ||
| 157 | E | 57.8 | Low | 72.6 | Confident | 190 Ų | 190 | 95.1 Ų | 95.1 | 89% | 0.888 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 114.8 | 151.4 | -119.3 | 178 | 169.1 | 0 | 0 | 107.6 | G155 | G155-E157 PolarHBondContact O-N 3.1Š|
| 158 | D | 58.1 | Low | 72.9 | Confident | 118 Ų | 118 | 99.8 Ų | 99.8 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 64.1 | 172.6 | -65.4 | -37.9 | 0 | 0 | 0 | 118 | P156 D160 R161 | P156-D158 PolarHBondContact O-N 3.12Å; P156-D158 VanDerWaalsContact O-N 3.08Å; D158-D160 PolarHBondContact O-N 3.01Å; D158-R161 IonicContact OD1-CZ 3.47Å; D158-R161 IonicContact OD1-NH1 3.17Å; D158-R161 PolarHBondContact OD1-NH1 3.15Å; D158-R161 IonicContact OD1-NH2 3.44Å |
| 159 | L | 63.2 | Low | 73.3 | Confident | 56 Ų | 56 | 101.2 Ų | 101.2 | 29% | 0.293 | 53% | 0.528 | S | S | . | . | trans | -57.2 | 112.6 | 151.1 | -69.1 | 173.9 | 0 | 0 | 0 | 109 | P156 R161 R213 A215 | P156-L159 HydrophobicContact CB-CD2 3.96Å; P156-L159 HydrophobicContact CB-CG 3.86Å; P156-L159 HydrophobicContact CG-CD1 3.49Å; P156-L159 VanDerWaalsContact CG-CD1 3.49Å; P156-L159 HydrophobicContact CG-CD2 3.68Å; P156-L159 HydrophobicContact CG-CG 3.31Å; L159-R161 VanDerWaalsContact O-CD 3.24Å; L159-R161 WeakPolarHBondContact O-CD 3.39Å; L159-R161 PolarHBondContact O-N 3.09Å; L159-R161 PolarHBondContact O-NE 3.22Å; L159-R213 HydrophobicContact CD2-CB 4.41Å; L159-R213 WeakPolarHBondContact CD2-O 3.15Å; L159-A215 HydrophobicContact CB-CB 3.68Å; L159-A215 HydrophobicContact CD1-CB 4.21Å | ||
| 160 | D | 65.3 | Low | 73.8 | Confident | 42 Ų | 42 | 97.6 Ų | 97.6 | 23% | 0.225 | 51% | 0.514 | C | S | . | . | trans | -58.8 | 124.3 | 177.9 | 174.3 | 34.5 | 0 | 0 | 0 | 110.9 | D158 H162 P163 R166 | D158-D160 PolarHBondContact O-N 3.01Å; D160-H162 VanDerWaalsContact C-N 3.34Å; D160-H162 PolarHBondContact OD1-N 2.92Å; D160-P163 WeakPolarHBondContact OD2-CA 3.48Å; D160-P163 VanDerWaalsContact OD2-N 3.16Å; D160-R166 VanDerWaalsContact CG-NE 3.29Å; D160-R166 IonicContact OD2-CZ 3.2Å; D160-R166 IonicContact OD2-NE 3.66Å; D160-R166 PolarHBondContact OD2-NE 3.2Å; D160-R166 IonicContact OD2-NH2 2.92Å; D160-R166 PolarHBondContact OD2-NH2 3.26Å | ||
| 161 | R | 73.5 | Confident | 74.5 | Confident | 128 Ų | 128 | 95.5 Ų | 95.5 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -84.2 | -12.5 | -179 | -59.8 | 91.6 | -177.9 | 169.6 | 3 | 111.9 | D158 L159 P163 A215 | D158-R161 IonicContact OD1-CZ 3.47Å; D158-R161 IonicContact OD1-NH1 3.17Å; D158-R161 PolarHBondContact OD1-NH1 3.15Å; D158-R161 IonicContact OD1-NH2 3.44Å; L159-R161 VanDerWaalsContact O-CD 3.24Å; L159-R161 WeakPolarHBondContact O-CD 3.39Å; L159-R161 PolarHBondContact O-N 3.09Å; L159-R161 PolarHBondContact O-NE 3.22Å; R161-P163 VanDerWaalsContact C-CD 3.46Å; R161-A215 HydrophobicContact CG-CB 4.45Å |
| 162 | H | 76.2 | Confident | 75.1 | Confident | 80 Ų | 80 | 95 Ų | 95 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | trans | -130.3 | 61.9 | -175.2 | -58.6 | -27.1 | 0 | 0 | 0 | 113.4 | D160 E164 R165 Y217 | D160-H162 VanDerWaalsContact C-N 3.34Å; D160-H162 PolarHBondContact OD1-N 2.92Å; H162-E164 PolarHBondContact O-N 2.93Å; H162-E164 VanDerWaalsContact O-N 3.15Å; H162-R165 HydrophobicContact CB-CB 4.4Å; H162-R165 HydrophobicContact CB-CG 4.14Å; H162-R165 PolarHBondContact O-N 3.1Å; H162-Y217 AromaticContact CE1-CD2 3.88Å; H162-Y217 AromaticContact CE1-CE2 3.88Å | ||
| 163 | P | 80.9 | Confident | 75.9 | Confident | 13 Ų | 13 | 91.1 Ų | 91.1 | 8% | 0.084 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -56.8 | -34.9 | 178.4 | 22.8 | -33.3 | 0 | 0 | 0 | 112 | D160 R161 R165 R166 M167 P209 F214 | D160-P163 WeakPolarHBondContact OD2-CA 3.48Å; D160-P163 VanDerWaalsContact OD2-N 3.16Å; R161-P163 VanDerWaalsContact C-CD 3.46Å; P163-R165 VanDerWaalsContact C-N 3.26Å; P163-R165 PolarHBondContact O-N 3.47Å; P163-R166 PolarHBondContact O-N 3.02Å; P163-R166 VanDerWaalsContact O-N 3.09Å; P163-M167 WeakPolarHBondContact O-CG 3.36Å; P163-M167 PolarHBondContact O-N 3.08Å; P163-P209 HydrophobicContact CB-CB 4.09Å; P163-F214 HydrophobicContact CG-CB 4.27Å; P163-F214 HydrophobicContact CG-CD2 4.42Å; P163-F214 HydrophobicContact CG-CG 4.18Å |
| 164 | E | 80.3 | Confident | 76.9 | Confident | 165 Ų | 165 | 89 Ų | 89 | 77% | 0.771 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -56.8 | -33.8 | 178 | -61.9 | -175.8 | 177.1 | 0 | 0 | 113.9 | H162 | H162-E164 PolarHBondContact O-N 2.93Å; H162-E164 VanDerWaalsContact O-N 3.15Å |
| 165 | R | 82.5 | Confident | 78.3 | Confident | 201 Ų | 201 | 83.7 Ų | 83.7 | 76% | 0.758 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -74.8 | -33.4 | 179.1 | -65 | -178.3 | 76.5 | 178 | 2.2 | 111.6 | H162 P163 | H162-R165 HydrophobicContact CB-CB 4.4Å; H162-R165 HydrophobicContact CB-CG 4.14Å; H162-R165 PolarHBondContact O-N 3.1Å; P163-R165 VanDerWaalsContact C-N 3.26Å; P163-R165 PolarHBondContact O-N 3.47Å |
| 166 | R | 82.6 | Confident | 79.8 | Confident | 108 Ų | 108 | 88.8 Ų | 88.8 | 41% | 0.408 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -80.4 | -22.5 | 177.8 | -68.1 | -168.8 | -65.5 | 143.9 | 7.7 | 113 | D160 P163 K168 A169 A170 P209 | D160-R166 VanDerWaalsContact CG-NE 3.29Å; D160-R166 IonicContact OD2-CZ 3.2Å; D160-R166 IonicContact OD2-NE 3.66Å; D160-R166 PolarHBondContact OD2-NE 3.2Å; D160-R166 IonicContact OD2-NH2 2.92Å; D160-R166 PolarHBondContact OD2-NH2 3.26Å; P163-R166 PolarHBondContact O-N 3.02Å; P163-R166 VanDerWaalsContact O-N 3.09Å; R166-K168 VanDerWaalsContact C-N 3.27Å; R166-K168 PolarHBondContact O-N 2.97Å; R166-A169 PolarHBondContact O-N 3.07Å; R166-A169 VanDerWaalsContact O-N 3.14Å; R166-A170 VanDerWaalsContact O-CB 3.3Å; R166-A170 WeakPolarHBondContact O-CB 3.36Å; R166-A170 PolarHBondContact O-N 3.12Å; R166-P209 HydrophobicContact CB-CG 4.11Å |
| 167 | M | 85.5 | Confident | 81.6 | Confident | 44 Ų | 44 | 88.1 Ų | 88.1 | 22% | 0.217 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -48.3 | -46.3 | 178.5 | -76.1 | -61.1 | -74.2 | 0 | 0 | 113.6 | P163 F171 N208 P209 L210 | P163-M167 WeakPolarHBondContact O-CG 3.36Å; P163-M167 PolarHBondContact O-N 3.08Å; M167-F171 WeakPolarHBondContact O-CB 3.35Å; M167-F171 PolarHBondContact O-N 2.9Å; M167-N208 WeakPolarHBondContact CE-OD1 3.37Å; M167-N208 PolarHBondContact SD-OD1 2.85Å; M167-P209 HydrophobicContact SD-CB 4.35Å; M167-P209 HydrophobicContact SD-CG 4.27Å; M167-L210 HydrophobicContact CE-CD1 3.43Å; M167-L210 VanDerWaalsContact CE-CD1 3.43Å; M167-L210 HydrophobicContact CE-CG 3.99Å; M167-L210 HydrophobicContact CG-CG 4.41Å; M167-L210 HydrophobicContact SD-CB 4.43Å; M167-L210 HydrophobicContact SD-CD1 3.76Å; M167-L210 HydrophobicContact SD-CG 3.6Å; M167-L210 VanDerWaalsContact SD-CG 3.6Å |
| 168 | K | 87.3 | Confident | 83.2 | Confident | 169 Ų | 169 | 80.7 Ų | 80.7 | 74% | 0.735 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.5 | -44.4 | -177.2 | -172.3 | 177.2 | 178.5 | -176.9 | 0 | 111.8 | R166 T172 | R166-K168 VanDerWaalsContact C-N 3.27Å; R166-K168 PolarHBondContact O-N 2.97Å; K168-T172 WeakPolarHBondContact O-CG2 3.28Å; K168-T172 PolarHBondContact O-N 3.05Å; K168-T172 PolarHBondContact O-OG1 3.14Å |
| 169 | A | 89.4 | Confident | 84.6 | Confident | 62 Ų | 62 | 76 Ų | 76 | 51% | 0.512 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.7 | -41.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R166 T172 A173 | R166-A169 PolarHBondContact O-N 3.07Å; R166-A169 VanDerWaalsContact O-N 3.14Å; A169-T172 WeakPolarHBondContact CA-OG1 3.42Å; A169-T172 PolarHBondContact O-N 3.28Å; A169-T172 PolarHBondContact O-OG1 3.4Å; A169-A173 PolarHBondContact O-N 3.41Å |
| 170 | A | 89.4 | Confident | 86 | Confident | 26 Ų | 26 | 76.6 Ų | 76.6 | 22% | 0.215 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68 | -39.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | R166 A173 F174 W202 P209 | R166-A170 VanDerWaalsContact O-CB 3.3Å; R166-A170 WeakPolarHBondContact O-CB 3.36Å; R166-A170 PolarHBondContact O-N 3.12Å; A170-A173 PolarHBondContact O-N 2.88Å; A170-F174 WeakPolarHBondContact O-CB 3.47Å; A170-F174 PolarHBondContact O-N 3.16Å; A170-W202 VanDerWaalsContact C-CH2 3.43Å; A170-W202 HydrophobicContact CB-CH2 3.53Å; A170-W202 HydrophobicContact CB-CZ2 3.97Å; A170-P209 HydrophobicContact CB-CG 4.03Å |
| 171 | F | 91.1 | Very high | 87.2 | Confident | 44 Ų | 44 | 81.4 Ų | 81.4 | 19% | 0.193 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64 | -40 | 173.6 | -177.9 | -100.4 | 0 | 0 | 0 | 112.6 | M167 F174 E175 L198 K199 W202 | M167-F171 WeakPolarHBondContact O-CB 3.35Å; M167-F171 PolarHBondContact O-N 2.9Å; F171-F174 PolarHBondContact O-N 3.46Å; F171-E175 WeakPolarHBondContact O-CB 3.25Å; F171-E175 PolarHBondContact O-N 3.33Å; F171-L198 HydrophobicContact CE2-CD2 3.87Å; F171-L198 HydrophobicContact CZ-CD2 3.85Å; F171-K199 HydrophobicContact CE2-CG 3.93Å; F171-K199 HydrophobicContact CZ-CG 3.9Å; F171-W202 HydrophobicContact CB-CZ2 4.19Å; F171-W202 HydrophobicContact CD2-CB 4.22Å; F171-W202 AromaticContact CD2-CD1 3.58Å; F171-W202 AromaticContact CD2-CD2 3.89Å; F171-W202 HydrophobicContact CD2-CD2 3.89Å; F171-W202 AromaticContact CD2-CE2 3.99Å; F171-W202 AromaticContact CD2-CG 3.61Å; F171-W202 HydrophobicContact CD2-CG 3.61Å; F171-W202 AromaticContact CD2-NE1 3.79Å; F171-W202 HydrophobicContact CE2-CB 4.2Å; F171-W202 HydrophobicContact CE2-CG 4.06Å |
| 172 | T | 91.7 | Very high | 88 | Confident | 61 Ų | 61 | 75.4 Ų | 75.4 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.6 | 47.3 | 0 | 0 | 0 | 0 | 112 | K168 A169 F174 E175 E176 | K168-T172 WeakPolarHBondContact O-CG2 3.28Å; K168-T172 PolarHBondContact O-N 3.05Å; K168-T172 PolarHBondContact O-OG1 3.14Å; A169-T172 WeakPolarHBondContact CA-OG1 3.42Å; A169-T172 PolarHBondContact O-N 3.28Å; A169-T172 PolarHBondContact O-OG1 3.4Å; T172-F174 VanDerWaalsContact C-N 3.31Å; T172-F174 PolarHBondContact O-N 2.76Å; T172-E175 PolarHBondContact O-N 3.01Å; T172-E176 WeakPolarHBondContact O-CG 3.47Å; T172-E176 PolarHBondContact O-N 3.4Å |
| 173 | A | 92.4 | Very high | 88.7 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A169 A170 E176 A177 | A169-A173 PolarHBondContact O-N 3.41Å; A170-A173 PolarHBondContact O-N 2.88Å; A173-E176 PolarHBondContact O-N 3.3Å; A173-A177 WeakPolarHBondContact O-CB 3.38Å; A173-A177 PolarHBondContact O-N 2.92Å; A173-A177 VanDerWaalsContact O-N 3.11Å |
| 174 | F | 91.8 | Very high | 89.2 | Confident | 22 Ų | 22 | 83.2 Ų | 83.2 | 10% | 0.096 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 176.2 | -173 | -94 | 0 | 0 | 0 | 113 | A170 F171 T172 N178 L198 E201 W202 | A170-F174 WeakPolarHBondContact O-CB 3.47Å; A170-F174 PolarHBondContact O-N 3.16Å; F171-F174 PolarHBondContact O-N 3.46Å; T172-F174 VanDerWaalsContact C-N 3.31Å; T172-F174 PolarHBondContact O-N 2.76Å; F174-N178 WeakPolarHBondContact CD2-ND2 3.34Å; F174-N178 HydrophobicContact CE1-CB 4.35Å; F174-N178 WeakPolarHBondContact CE2-ND2 3.31Å; F174-N178 WeakPolarHBondContact CG-ND2 3.37Å; F174-N178 HydrophobicContact CZ-CB 4.48Å; F174-N178 WeakPolarHBondContact CZ-ND2 3.45Å; F174-N178 WeakPolarHBondContact O-CB 3.26Å; F174-N178 PolarHBondContact O-N 2.89Å; F174-N178 PolarHBondContact O-ND2 3.44Å; F174-L198 HydrophobicContact CD1-CD2 4.19Å; F174-L198 HydrophobicContact CD1-CG 4.15Å; F174-L198 HydrophobicContact CE1-CD1 4.46Å; F174-L198 HydrophobicContact CE1-CG 4.02Å; F174-E201 HydrophobicContact CE1-CB 4.35Å; F174-E201 HydrophobicContact CZ-CB 4.19Å; F174-W202 HydrophobicContact CB-CE3 3.52Å; F174-W202 HydrophobicContact CB-CH2 4.42Å; F174-W202 HydrophobicContact CB-CZ3 3.45Å; F174-W202 VanDerWaalsContact CB-CZ3 3.45Å; F174-W202 HydrophobicContact CD1-CB 4.13Å; F174-W202 HydrophobicContact CD1-CD2 4.33Å; F174-W202 AromaticContact CD1-CE3 3.59Å; F174-W202 HydrophobicContact CD1-CE3 3.59Å; F174-W202 HydrophobicContact CD1-CZ3 4.37Å; F174-W202 AromaticContact CD2-CE3 3.67Å; F174-W202 HydrophobicContact CD2-CE3 3.67Å; F174-W202 AromaticContact CD2-CZ3 3.83Å; F174-W202 HydrophobicContact CD2-CZ3 3.83Å; F174-W202 HydrophobicContact CE1-CB 4.02Å; F174-W202 HydrophobicContact CE1-CE3 4.19Å; F174-W202 HydrophobicContact CE2-CE3 4.26Å; F174-W202 HydrophobicContact CG-CD2 4.39Å; F174-W202 AromaticContact CG-CE3 3.3Å; F174-W202 HydrophobicContact CG-CE3 3.3Å; F174-W202 AromaticContact CG-CZ3 3.64Å; F174-W202 HydrophobicContact CG-CZ3 3.64Å |
| 175 | E | 91.9 | Very high | 89.7 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 173.9 | -172.7 | 173.3 | -168.1 | 0 | 0 | 110.1 | F171 T172 A177 N178 M179 K195 L198 | F171-E175 WeakPolarHBondContact O-CB 3.25Å; F171-E175 PolarHBondContact O-N 3.33Å; T172-E175 PolarHBondContact O-N 3.01Å; E175-A177 PolarHBondContact O-N 3.47Å; E175-N178 PolarHBondContact O-N 3.12Å; E175-M179 HydrophobicContact CB-CG 4.44Å; E175-M179 HydrophobicContact CG-CG 3.47Å; E175-M179 VanDerWaalsContact CG-CG 3.47Å; E175-M179 HydrophobicContact CG-SD 4.37Å; E175-M179 WeakPolarHBondContact O-CB 3.19Å; E175-M179 WeakPolarHBondContact O-CG 3.32Å; E175-M179 PolarHBondContact O-N 2.84Å; E175-K195 WeakPolarHBondContact OE1-CE 3.25Å; E175-K195 IonicContact OE1-NZ 3.8Å; E175-K195 PolarHBondContact OE1-NZ 3.34Å; E175-K195 VanDerWaalsContact OE1-NZ 3.16Å; E175-L198 HydrophobicContact CB-CD2 3.99Å; E175-L198 HydrophobicContact CG-CD2 4.11Å |
| 176 | E | 92.1 | Very high | 90 | Very high | 151 Ų | 151 | 73.1 Ų | 73.1 | 71% | 0.706 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 180 | -71.4 | 174.6 | -177.6 | 0 | 0 | 113 | T172 A173 P180 | T172-E176 WeakPolarHBondContact O-CG 3.47Å; T172-E176 PolarHBondContact O-N 3.4Å; A173-E176 PolarHBondContact O-N 3.3Å; E176-P180 VanDerWaalsContact O-CD 3.27Å; E176-P180 WeakPolarHBondContact O-CD 3.31Å |
| 177 | A | 91.8 | Very high | 90.3 | Very high | 72 Ų | 72 | 72.7 Ų | 72.7 | 60% | 0.595 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -72.2 | -41.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A173 E175 | A173-A177 WeakPolarHBondContact O-CB 3.38Å; A173-A177 PolarHBondContact O-N 2.92Å; A173-A177 VanDerWaalsContact O-N 3.11Å; E175-A177 PolarHBondContact O-N 3.47Å |
| 178 | N | 90.4 | Very high | 90.6 | Very high | 34 Ų | 34 | 78.3 Ų | 78.3 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -97 | -21 | -170.7 | -65.4 | -80.5 | 0 | 0 | 0 | 113.7 | F174 E175 R181 L182 L198 | F174-N178 WeakPolarHBondContact CD2-ND2 3.34Å; F174-N178 HydrophobicContact CE1-CB 4.35Å; F174-N178 WeakPolarHBondContact CE2-ND2 3.31Å; F174-N178 WeakPolarHBondContact CG-ND2 3.37Å; F174-N178 HydrophobicContact CZ-CB 4.48Å; F174-N178 WeakPolarHBondContact CZ-ND2 3.45Å; F174-N178 WeakPolarHBondContact O-CB 3.26Å; F174-N178 PolarHBondContact O-N 2.89Å; F174-N178 PolarHBondContact O-ND2 3.44Å; E175-N178 PolarHBondContact O-N 3.12Å; N178-R181 WeakPolarHBondContact O-CB 3.3Å; N178-R181 PolarHBondContact O-N 3.46Å; N178-L182 HydrophobicContact CB-CD1 4.17Å; N178-L182 WeakPolarHBondContact O-CD1 3.45Å; N178-L182 PolarHBondContact O-N 2.98Å; N178-L198 HydrophobicContact CB-CD1 3.81Å |
| 179 | M | 87.7 | Confident | 90.8 | Very high | 18 Ų | 18 | 73.4 Ų | 73.4 | 9% | 0.089 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 179.5 | -81.1 | -64.4 | -73.4 | 0 | 0 | 114.9 | E175 R181 K183 L191 K195 L198 | E175-M179 HydrophobicContact CB-CG 4.44Å; E175-M179 HydrophobicContact CG-CG 3.47Å; E175-M179 VanDerWaalsContact CG-CG 3.47Å; E175-M179 HydrophobicContact CG-SD 4.37Å; E175-M179 WeakPolarHBondContact O-CB 3.19Å; E175-M179 WeakPolarHBondContact O-CG 3.32Å; E175-M179 PolarHBondContact O-N 2.84Å; M179-R181 VanDerWaalsContact C-N 3.34Å; M179-K183 VanDerWaalsContact O-CG 3.3Å; M179-K183 WeakPolarHBondContact O-CG 3.3Å; M179-K183 PolarHBondContact O-N 2.84Å; M179-K183 VanDerWaalsContact O-N 3.11Å; M179-L191 HydrophobicContact CE-CD1 3.35Å; M179-K195 HydrophobicContact CE-CG 4.49Å; M179-L198 HydrophobicContact CG-CD1 3.87Å; M179-L198 HydrophobicContact SD-CD1 3.85Å |
| 180 | P | 91.3 | Very high | 90.9 | Very high | 69 Ų | 69 | 79.8 Ų | 79.8 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.3 | -22.1 | 34.2 | 0 | 0 | 0 | 111.8 | E176 K183 M184 | E176-P180 VanDerWaalsContact O-CD 3.27Å; E176-P180 WeakPolarHBondContact O-CD 3.31Å; P180-K183 PolarHBondContact O-N 2.97Å; P180-M184 WeakPolarHBondContact O-CG 3.49Å; P180-M184 PolarHBondContact O-N 3.22Å; P180-M184 VanDerWaalsContact O-N 3.1Å |
| 181 | R | 91.8 | Very high | 90.9 | Very high | 143 Ų | 143 | 82.6 Ų | 82.6 | 54% | 0.54 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 177 | -177.2 | -176.5 | 169 | 164.7 | -0.6 | 111.5 | N178 M179 K183 M184 E185 | N178-R181 WeakPolarHBondContact O-CB 3.3Å; N178-R181 PolarHBondContact O-N 3.46Å; M179-R181 VanDerWaalsContact C-N 3.34Å; R181-K183 VanDerWaalsContact C-N 3.29Å; R181-K183 PolarHBondContact O-N 3.49Å; R181-M184 PolarHBondContact O-N 3.48Å; R181-M184 VanDerWaalsContact O-N 3.15Å; R181-E185 HydrophobicContact CG-CG 4.5Å; R181-E185 IonicContact CZ-OE1 2.63Å; R181-E185 IonicContact NE-OE1 3.77Å; R181-E185 PolarHBondContact NE-OE1 2.93Å; R181-E185 IonicContact NH2-OE1 2.65Å; R181-E185 PolarHBondContact NH2-OE1 3.49Å; R181-E185 WeakPolarHBondContact O-CG 3.15Å; R181-E185 PolarHBondContact O-N 3.35Å |
| 182 | L | 90.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 84.5 Ų | 84.5 | 1% | 0.01 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.4 | -32.4 | -179.7 | -90.6 | 75 | 0 | 0 | 0 | 112.9 | N178 N186 L194 Q197 L198 | N178-L182 HydrophobicContact CB-CD1 4.17Å; N178-L182 WeakPolarHBondContact O-CD1 3.45Å; N178-L182 PolarHBondContact O-N 2.98Å; L182-N186 WeakPolarHBondContact O-CB 3.41Å; L182-N186 PolarHBondContact O-N 3.32Å; L182-L194 HydrophobicContact CB-CD2 4.35Å; L182-Q197 HydrophobicContact CD2-CB 4.02Å; L182-L198 HydrophobicContact CD2-CB 4.05Å; L182-L198 HydrophobicContact CD2-CD1 4.43Å |
| 183 | K | 91 | Very high | 91 | Very high | 110 Ų | 110 | 85.6 Ų | 85.6 | 48% | 0.478 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.4 | -35.3 | 174.5 | -75.9 | 174.8 | 179.6 | 179.4 | 0 | 112.8 | M179 P180 R181 P187 L194 | M179-K183 VanDerWaalsContact O-CG 3.3Å; M179-K183 WeakPolarHBondContact O-CG 3.3Å; M179-K183 PolarHBondContact O-N 2.84Å; M179-K183 VanDerWaalsContact O-N 3.11Å; P180-K183 PolarHBondContact O-N 2.97Å; R181-K183 VanDerWaalsContact C-N 3.29Å; R181-K183 PolarHBondContact O-N 3.49Å; K183-P187 WeakPolarHBondContact O-CA 3.43Å; K183-L194 HydrophobicContact CG-CD1 3.78Å |
| 184 | M | 90.8 | Very high | 91 | Very high | 147 Ų | 147 | 83.2 Ų | 83.2 | 72% | 0.724 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -72.9 | -41.6 | 175.8 | -69.7 | -177 | -65.1 | 0 | 0 | 111.6 | P180 R181 | P180-M184 WeakPolarHBondContact O-CG 3.49Å; P180-M184 PolarHBondContact O-N 3.22Å; P180-M184 VanDerWaalsContact O-N 3.1Å; R181-M184 PolarHBondContact O-N 3.48Å; R181-M184 VanDerWaalsContact O-N 3.15Å |
| 185 | E | 90.7 | Very high | 90.9 | Very high | 100 Ų | 100 | 86.1 Ų | 86.1 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.6 | -34 | 178.6 | -69.5 | 179.7 | -176.8 | 0 | 0 | 112.2 | R181 | R181-E185 HydrophobicContact CG-CG 4.5Å; R181-E185 IonicContact CZ-OE1 2.63Å; R181-E185 IonicContact NE-OE1 3.77Å; R181-E185 PolarHBondContact NE-OE1 2.93Å; R181-E185 IonicContact NH2-OE1 2.65Å; R181-E185 PolarHBondContact NH2-OE1 3.49Å; R181-E185 WeakPolarHBondContact O-CG 3.15Å; R181-E185 PolarHBondContact O-N 3.35Å |
| 186 | N | 88.2 | Confident | 91 | Very high | 55 Ų | 55 | 89.6 Ų | 89.6 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | trans | -131.3 | 71.2 | -175.6 | -60.6 | -76.2 | 0 | 0 | 0 | 112.4 | L182 N188 M189 L194 | L182-N186 WeakPolarHBondContact O-CB 3.41Å; L182-N186 PolarHBondContact O-N 3.32Å; N186-N188 PolarHBondContact O-N 3.22Å; N186-M189 HydrophobicContact CB-CB 4.21Å; N186-M189 HydrophobicContact CB-CG 3.88Å; N186-M189 PolarHBondContact O-N 2.88Å; N186-L194 HydrophobicContact CB-CD2 3.91Å | ||
| 187 | P | 89.3 | Confident | 91 | Very high | 98 Ų | 98 | 85.2 Ų | 85.2 | 64% | 0.636 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.8 | -176.1 | 26 | -34.7 | 0 | 0 | 0 | 114 | K183 | K183-P187 WeakPolarHBondContact O-CA 3.43Š|
| 188 | N | 91.7 | Very high | 91.1 | Very high | 163 Ų | 163 | 81.8 Ų | 81.8 | 87% | 0.872 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -5.4 | -177.2 | -65.7 | -12 | 0 | 0 | 0 | 113.9 | N186 | N186-N188 PolarHBondContact O-N 3.22Š|
| 189 | M | 91.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 86.5 Ų | 86.5 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -89.2 | 140.2 | -174.6 | -71.2 | -72.7 | -88.2 | 0 | 0 | 111.5 | N186 Q193 L194 | N186-M189 HydrophobicContact CB-CB 4.21Å; N186-M189 HydrophobicContact CB-CG 3.88Å; N186-M189 PolarHBondContact O-N 2.88Å; M189-Q193 HydrophobicContact CE-CB 3.54Å; M189-Q193 HydrophobicContact CE-CG 4.24Å; M189-Q193 HydrophobicContact SD-CB 4.37Å; M189-Q193 PolarHBondContact SD-OE1 3.11Å; M189-L194 HydrophobicContact CB-CD2 3.69Å; M189-L194 HydrophobicContact CB-CG 3.97Å; M189-L194 HydrophobicContact CG-CD2 4.5Å |
| 190 | R | 92.5 | Very high | 91.4 | Very high | 195 Ų | 195 | 91.9 Ų | 91.9 | 74% | 0.736 | 44% | 0.444 | S | S | * | . | trans | -68.8 | 148 | 175.2 | -168.9 | 173 | -180 | 176.8 | 0.2 | 109.7 | S192 Q193 L194 | R190-S192 PolarHBondContact O-N 3.43Å; R190-Q193 HydrophobicContact CB-CG 4.43Å; R190-Q193 WeakPolarHBondContact O-CA 3.41Å; R190-Q193 WeakPolarHBondContact O-CB 3.4Å; R190-Q193 PolarHBondContact O-N 2.87Å; R190-L194 PolarHBondContact O-N 3.33Å; R190-L194 VanDerWaalsContact O-N 3.09Å | ||
| 191 | L | 88.7 | Confident | 91.4 | Very high | 86 Ų | 86 | 92.5 Ų | 92.5 | 45% | 0.45 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -50.1 | -36.5 | 179.1 | -171.5 | 67.2 | 0 | 0 | 0 | 113.7 | M179 Q193 L194 K195 | M179-L191 HydrophobicContact CE-CD1 3.35Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 2.88Å; L191-L194 PolarHBondContact O-N 2.93Å; L191-K195 WeakPolarHBondContact O-CB 3.41Å; L191-K195 WeakPolarHBondContact O-CG 3.33Å; L191-K195 PolarHBondContact O-N 2.82Å |
| 192 | S | 91.9 | Very high | 91.4 | Very high | 84 Ų | 84 | 86.4 Ų | 86.4 | 59% | 0.587 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.6 | -34.9 | 176.5 | -173.4 | 0 | 0 | 0 | 0 | 113.1 | R190 Q196 | R190-S192 PolarHBondContact O-N 3.43Å; S192-Q196 PolarHBondContact O-N 2.85Å; S192-Q196 VanDerWaalsContact O-N 3.15Å |
| 193 | Q | 92.4 | Very high | 91.4 | Very high | 83 Ų | 83 | 88.9 Ų | 88.9 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -76 | -40.4 | 178.8 | -61.5 | 165 | -32.6 | 0 | 0 | 110.3 | M189 R190 L191 K195 Q196 Q197 | M189-Q193 HydrophobicContact CE-CB 3.54Å; M189-Q193 HydrophobicContact CE-CG 4.24Å; M189-Q193 HydrophobicContact SD-CB 4.37Å; M189-Q193 PolarHBondContact SD-OE1 3.11Å; R190-Q193 HydrophobicContact CB-CG 4.43Å; R190-Q193 WeakPolarHBondContact O-CA 3.41Å; R190-Q193 WeakPolarHBondContact O-CB 3.4Å; R190-Q193 PolarHBondContact O-N 2.87Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 2.88Å; Q193-K195 VanDerWaalsContact C-N 3.35Å; Q193-K195 PolarHBondContact O-N 3.32Å; Q193-Q196 WeakPolarHBondContact O-CB 3.36Å; Q193-Q196 PolarHBondContact O-N 2.83Å; Q193-Q196 VanDerWaalsContact O-N 3.09Å; Q193-Q197 PolarHBondContact O-N 3.18Å |
| 194 | L | 92.2 | Very high | 91.3 | Very high | 7 Ų | 7 | 92.4 Ų | 92.4 | 4% | 0.037 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 172.9 | -64.5 | 178.4 | 0 | 0 | 0 | 111.5 | L182 K183 N186 M189 R190 L191 Q196 Q197 L198 | L182-L194 HydrophobicContact CB-CD2 4.35Å; K183-L194 HydrophobicContact CG-CD1 3.78Å; N186-L194 HydrophobicContact CB-CD2 3.91Å; M189-L194 HydrophobicContact CB-CD2 3.69Å; M189-L194 HydrophobicContact CB-CG 3.97Å; M189-L194 HydrophobicContact CG-CD2 4.5Å; R190-L194 PolarHBondContact O-N 3.33Å; R190-L194 VanDerWaalsContact O-N 3.09Å; L191-L194 PolarHBondContact O-N 2.93Å; L194-Q196 VanDerWaalsContact C-N 3.27Å; L194-Q196 PolarHBondContact O-N 3.18Å; L194-Q197 PolarHBondContact O-N 3.35Å; L194-L198 WeakPolarHBondContact O-CB 3.45Å; L194-L198 PolarHBondContact O-N 3.49Å |
| 195 | K | 91.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 86.2 Ų | 86.2 | 37% | 0.365 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.9 | -32.6 | 173.9 | -74.9 | -174.4 | 177.7 | -150 | 0 | 113 | E175 M179 L191 Q193 K199 | E175-K195 WeakPolarHBondContact OE1-CE 3.25Å; E175-K195 IonicContact OE1-NZ 3.8Å; E175-K195 PolarHBondContact OE1-NZ 3.34Å; E175-K195 VanDerWaalsContact OE1-NZ 3.16Å; M179-K195 HydrophobicContact CE-CG 4.49Å; L191-K195 WeakPolarHBondContact O-CB 3.41Å; L191-K195 WeakPolarHBondContact O-CG 3.33Å; L191-K195 PolarHBondContact O-N 2.82Å; Q193-K195 VanDerWaalsContact C-N 3.35Å; Q193-K195 PolarHBondContact O-N 3.32Å; K195-K199 WeakPolarHBondContact O-CG 3.49Å; K195-K199 PolarHBondContact O-N 3.42Å |
| 196 | Q | 93.4 | Very high | 90.9 | Very high | 114 Ų | 114 | 86.1 Ų | 86.1 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71 | -39.9 | 175.6 | -169.5 | -177.7 | 1.6 | 0 | 0 | 111.6 | S192 Q193 L194 K200 | S192-Q196 PolarHBondContact O-N 2.85Å; S192-Q196 VanDerWaalsContact O-N 3.15Å; Q193-Q196 WeakPolarHBondContact O-CB 3.36Å; Q193-Q196 PolarHBondContact O-N 2.83Å; Q193-Q196 VanDerWaalsContact O-N 3.09Å; L194-Q196 VanDerWaalsContact C-N 3.27Å; L194-Q196 PolarHBondContact O-N 3.18Å; Q196-K200 WeakPolarHBondContact O-CG 3.36Å; Q196-K200 PolarHBondContact O-N 2.82Å |
| 197 | Q | 91.4 | Very high | 90.7 | Very high | 60 Ų | 60 | 89.2 Ų | 89.2 | 28% | 0.28 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 172.7 | -73.8 | 175.1 | -30.6 | 0 | 0 | 111 | L182 Q193 L194 K199 K200 E201 | L182-Q197 HydrophobicContact CD2-CB 4.02Å; Q193-Q197 PolarHBondContact O-N 3.18Å; L194-Q197 PolarHBondContact O-N 3.35Å; Q197-K199 VanDerWaalsContact C-N 3.32Å; Q197-K199 PolarHBondContact O-N 3Å; Q197-K200 WeakPolarHBondContact O-CA 3.43Å; Q197-K200 WeakPolarHBondContact O-CB 3.42Å; Q197-K200 PolarHBondContact O-N 3.31Å; Q197-E201 PolarHBondContact O-N 2.95Å |
| 198 | L | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 177.1 | -169.8 | 123.1 | 0 | 0 | 0 | 112.5 | F171 F174 E175 N178 M179 L182 L194 K200 E201 W202 | F171-L198 HydrophobicContact CE2-CD2 3.87Å; F171-L198 HydrophobicContact CZ-CD2 3.85Å; F174-L198 HydrophobicContact CD1-CD2 4.19Å; F174-L198 HydrophobicContact CD1-CG 4.15Å; F174-L198 HydrophobicContact CE1-CD1 4.46Å; F174-L198 HydrophobicContact CE1-CG 4.02Å; E175-L198 HydrophobicContact CB-CD2 3.99Å; E175-L198 HydrophobicContact CG-CD2 4.11Å; N178-L198 HydrophobicContact CB-CD1 3.81Å; M179-L198 HydrophobicContact CG-CD1 3.87Å; M179-L198 HydrophobicContact SD-CD1 3.85Å; L182-L198 HydrophobicContact CD2-CB 4.05Å; L182-L198 HydrophobicContact CD2-CD1 4.43Å; L194-L198 WeakPolarHBondContact O-CB 3.45Å; L194-L198 PolarHBondContact O-N 3.49Å; L198-K200 VanDerWaalsContact C-N 3.31Å; L198-K200 PolarHBondContact O-N 3.45Å; L198-E201 PolarHBondContact O-N 2.88Å; L198-W202 VanDerWaalsContact O-CB 3.3Å; L198-W202 WeakPolarHBondContact O-CB 3.38Å; L198-W202 PolarHBondContact O-N 2.92Å |
| 199 | K | 92.1 | Very high | 90.4 | Very high | 132 Ų | 132 | 77.4 Ų | 77.4 | 57% | 0.574 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.5 | -34.3 | 173.8 | -79.9 | -177.5 | 179.6 | -173.4 | 0 | 113.2 | F171 K195 Q197 A203 | F171-K199 HydrophobicContact CE2-CG 3.93Å; F171-K199 HydrophobicContact CZ-CG 3.9Å; K195-K199 WeakPolarHBondContact O-CG 3.49Å; K195-K199 PolarHBondContact O-N 3.42Å; Q197-K199 VanDerWaalsContact C-N 3.32Å; Q197-K199 PolarHBondContact O-N 3Å; K199-A203 PolarHBondContact O-N 2.84Å; K199-A203 VanDerWaalsContact O-N 3.09Å |
| 200 | K | 93.4 | Very high | 89.9 | Confident | 131 Ų | 131 | 78.3 Ų | 78.3 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -70.4 | -39 | 176.7 | -71.5 | 174.1 | 178.2 | -177.4 | 0 | 111.5 | Q196 Q197 L198 | Q196-K200 WeakPolarHBondContact O-CG 3.36Å; Q196-K200 PolarHBondContact O-N 2.82Å; Q197-K200 WeakPolarHBondContact O-CA 3.43Å; Q197-K200 WeakPolarHBondContact O-CB 3.42Å; Q197-K200 PolarHBondContact O-N 3.31Å; L198-K200 VanDerWaalsContact C-N 3.31Å; L198-K200 PolarHBondContact O-N 3.45Å |
| 201 | E | 91 | Very high | 89.5 | Confident | 82 Ų | 82 | 73.2 Ų | 73.2 | 38% | 0.383 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 174 | -70.1 | 174.6 | -174.8 | 0 | 0 | 111 | F174 Q197 L198 A203 K204 S205 | F174-E201 HydrophobicContact CE1-CB 4.35Å; F174-E201 HydrophobicContact CZ-CB 4.19Å; Q197-E201 PolarHBondContact O-N 2.95Å; L198-E201 PolarHBondContact O-N 2.88Å; E201-A203 VanDerWaalsContact C-N 3.33Å; E201-A203 PolarHBondContact O-N 3.34Å; E201-K204 CarbonylContact O-C 3.55Å; E201-K204 PolarHBondContact O-N 3.45Å; E201-S205 PolarHBondContact O-N 2.98Å |
| 202 | W | 91.9 | Very high | 89.1 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.2 | -44.9 | 175.9 | 176.8 | -110.5 | 0 | 0 | 0 | 112.8 | A170 F171 F174 L198 K204 S205 E207 N208 | A170-W202 VanDerWaalsContact C-CH2 3.43Å; A170-W202 HydrophobicContact CB-CH2 3.53Å; A170-W202 HydrophobicContact CB-CZ2 3.97Å; F171-W202 HydrophobicContact CB-CZ2 4.19Å; F171-W202 HydrophobicContact CD2-CB 4.22Å; F171-W202 AromaticContact CD2-CD1 3.58Å; F171-W202 AromaticContact CD2-CD2 3.89Å; F171-W202 HydrophobicContact CD2-CD2 3.89Å; F171-W202 AromaticContact CD2-CE2 3.99Å; F171-W202 AromaticContact CD2-CG 3.61Å; F171-W202 HydrophobicContact CD2-CG 3.61Å; F171-W202 AromaticContact CD2-NE1 3.79Å; F171-W202 HydrophobicContact CE2-CB 4.2Å; F171-W202 HydrophobicContact CE2-CG 4.06Å; F174-W202 HydrophobicContact CB-CE3 3.52Å; F174-W202 HydrophobicContact CB-CH2 4.42Å; F174-W202 HydrophobicContact CB-CZ3 3.45Å; F174-W202 VanDerWaalsContact CB-CZ3 3.45Å; F174-W202 HydrophobicContact CD1-CB 4.13Å; F174-W202 HydrophobicContact CD1-CD2 4.33Å; F174-W202 AromaticContact CD1-CE3 3.59Å; F174-W202 HydrophobicContact CD1-CE3 3.59Å; F174-W202 HydrophobicContact CD1-CZ3 4.37Å; F174-W202 AromaticContact CD2-CE3 3.67Å; F174-W202 HydrophobicContact CD2-CE3 3.67Å; F174-W202 AromaticContact CD2-CZ3 3.83Å; F174-W202 HydrophobicContact CD2-CZ3 3.83Å; F174-W202 HydrophobicContact CE1-CB 4.02Å; F174-W202 HydrophobicContact CE1-CE3 4.19Å; F174-W202 HydrophobicContact CE2-CE3 4.26Å; F174-W202 HydrophobicContact CG-CD2 4.39Å; F174-W202 AromaticContact CG-CE3 3.3Å; F174-W202 HydrophobicContact CG-CE3 3.3Å; F174-W202 AromaticContact CG-CZ3 3.64Å; F174-W202 HydrophobicContact CG-CZ3 3.64Å; L198-W202 VanDerWaalsContact O-CB 3.3Å; L198-W202 WeakPolarHBondContact O-CB 3.38Å; L198-W202 PolarHBondContact O-N 2.92Å; W202-K204 PolarHBondContact O-N 3.38Å; W202-K204 VanDerWaalsContact O-N 3.12Å; W202-S205 WeakPolarHBondContact O-CB 3.37Å; W202-S205 PolarHBondContact O-N 3.41Å; W202-S205 VanDerWaalsContact O-N 3.1Å; W202-E207 HydrophobicContact CH2-CB 4.29Å; W202-E207 WeakPolarHBondContact CH2-O 3.44Å; W202-E207 HydrophobicContact CZ3-CB 3.74Å; W202-N208 HydrophobicContact CD2-CB 4.37Å; W202-N208 HydrophobicContact CH2-CB 4.29Å; W202-N208 HydrophobicContact CZ2-CB 4Å |
| 203 | A | 89.6 | Confident | 88.1 | Confident | 54 Ų | 54 | 80 Ų | 80 | 45% | 0.446 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -28 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K199 E201 N211 | K199-A203 PolarHBondContact O-N 2.84Å; K199-A203 VanDerWaalsContact O-N 3.09Å; E201-A203 VanDerWaalsContact C-N 3.33Å; E201-A203 PolarHBondContact O-N 3.34Å; A203-N211 PolarHBondContact O-ND2 3.03Å |
| 204 | K | 89.6 | Confident | 87.1 | Confident | 184 Ų | 184 | 81.1 Ų | 81.1 | 80% | 0.8 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -99.9 | -9.6 | 179.9 | -61.9 | 179.4 | -179.5 | -177.3 | 0 | 113.6 | E201 W202 | E201-K204 CarbonylContact O-C 3.55Å; E201-K204 PolarHBondContact O-N 3.45Å; W202-K204 PolarHBondContact O-N 3.38Å; W202-K204 VanDerWaalsContact O-N 3.12Å |
| 205 | S | 87.7 | Confident | 86 | Confident | 16 Ų | 16 | 81.4 Ų | 81.4 | 11% | 0.112 | 39% | 0.387 | C | S | . | . | trans | -70.9 | 142.8 | -174.5 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | E201 W202 E207 N208 N211 | E201-S205 PolarHBondContact O-N 2.98Å; W202-S205 WeakPolarHBondContact O-CB 3.37Å; W202-S205 PolarHBondContact O-N 3.41Å; W202-S205 VanDerWaalsContact O-N 3.1Å; S205-E207 PolarHBondContact O-N 3.1Å; S205-E207 WeakPolarHBondContact OG-CB 3.4Å; S205-E207 PolarHBondContact OG-N 3.03Å; S205-N208 WeakPolarHBondContact O-CB 3.35Å; S205-N208 PolarHBondContact O-N 2.87Å; S205-N211 PolarHBondContact O-ND2 3.33Å | ||
| 206 | P | 85.6 | Confident | 85 | Confident | 98 Ų | 98 | 80.8 Ų | 80.8 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.6 | 170.3 | 29.4 | -36 | 0 | 0 | 0 | 112.7 | N208 Q212 | P206-N208 PolarHBondContact O-N 3.17Å; P206-Q212 PolarHBondContact O-NE2 3.46Å |
| 207 | E | 83.9 | Confident | 83.4 | Confident | 120 Ų | 120 | 84 Ų | 84 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.3 | 176.1 | -64.7 | -59 | 134 | 0 | 0 | 112.9 | W202 S205 P209 | W202-E207 HydrophobicContact CH2-CB 4.29Å; W202-E207 WeakPolarHBondContact CH2-O 3.44Å; W202-E207 HydrophobicContact CZ3-CB 3.74Å; S205-E207 PolarHBondContact O-N 3.1Å; S205-E207 WeakPolarHBondContact OG-CB 3.4Å; S205-E207 PolarHBondContact OG-N 3.03Å; E207-P209 WeakPolarHBondContact O-CD 3.32Å |
| 208 | N | 88 | Confident | 82 | Confident | 9 Ų | 9 | 87.8 Ų | 87.8 | 5% | 0.048 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -74.2 | 115.5 | 175.2 | -180 | -0.3 | 0 | 0 | 0 | 109.9 | M167 W202 S205 P206 L210 N211 | M167-N208 WeakPolarHBondContact CE-OD1 3.37Å; M167-N208 PolarHBondContact SD-OD1 2.85Å; W202-N208 HydrophobicContact CD2-CB 4.37Å; W202-N208 HydrophobicContact CH2-CB 4.29Å; W202-N208 HydrophobicContact CZ2-CB 4Å; S205-N208 WeakPolarHBondContact O-CB 3.35Å; S205-N208 PolarHBondContact O-N 2.87Å; P206-N208 PolarHBondContact O-N 3.17Å; N208-L210 PolarHBondContact O-N 3.12Å; N208-L210 WeakPolarHBondContact OD1-CB 3.47Å; N208-L210 PolarHBondContact OD1-N 3.39Å; N208-L210 VanDerWaalsContact OD1-N 3.1Å; N208-N211 HydrophobicContact CB-CB 4.43Å; N208-N211 PolarHBondContact O-N 2.88Å |
| 209 | P | 85.7 | Confident | 80.5 | Confident | 4 Ų | 4 | 91 Ų | 91 | 3% | 0.026 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -22.7 | -179.8 | -26.3 | 35.6 | 0 | 0 | 0 | 114.4 | P163 R166 M167 A170 E207 N211 Q212 | P163-P209 HydrophobicContact CB-CB 4.09Å; R166-P209 HydrophobicContact CB-CG 4.11Å; M167-P209 HydrophobicContact SD-CB 4.35Å; M167-P209 HydrophobicContact SD-CG 4.27Å; A170-P209 HydrophobicContact CB-CG 4.03Å; E207-P209 WeakPolarHBondContact O-CD 3.32Å; P209-N211 VanDerWaalsContact C-N 3.34Å; P209-Q212 PolarHBondContact O-N 3.03Å |
| 210 | L | 82.1 | Confident | 78.5 | Confident | 86 Ų | 86 | 98.1 Ų | 98.1 | 45% | 0.45 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.9 | 175.2 | -68.4 | 171.5 | 0 | 0 | 0 | 113.9 | M167 N208 Q212 | M167-L210 HydrophobicContact CE-CD1 3.43Å; M167-L210 VanDerWaalsContact CE-CD1 3.43Å; M167-L210 HydrophobicContact CE-CG 3.99Å; M167-L210 HydrophobicContact CG-CG 4.41Å; M167-L210 HydrophobicContact SD-CB 4.43Å; M167-L210 HydrophobicContact SD-CD1 3.76Å; M167-L210 HydrophobicContact SD-CG 3.6Å; M167-L210 VanDerWaalsContact SD-CG 3.6Å; N208-L210 PolarHBondContact O-N 3.12Å; N208-L210 WeakPolarHBondContact OD1-CB 3.47Å; N208-L210 PolarHBondContact OD1-N 3.39Å; N208-L210 VanDerWaalsContact OD1-N 3.1Å; L210-Q212 VanDerWaalsContact C-N 3.34Å |
| 211 | N | 83.3 | Confident | 77.8 | Confident | 88 Ų | 88 | 96.5 Ų | 96.5 | 47% | 0.471 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -8.5 | 176.5 | -66.1 | -21.7 | 0 | 0 | 0 | 111.9 | A203 S205 N208 P209 | A203-N211 PolarHBondContact O-ND2 3.03Å; S205-N211 PolarHBondContact O-ND2 3.33Å; N208-N211 HydrophobicContact CB-CB 4.43Å; N208-N211 PolarHBondContact O-N 2.88Å; P209-N211 VanDerWaalsContact C-N 3.34Å |
| 212 | Q | 80.1 | Confident | 77.1 | Confident | 77 Ų | 77 | 97.3 Ų | 97.3 | 36% | 0.36 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -87.8 | 160 | 177.3 | -62.6 | 176.1 | 8 | 0 | 0 | 110.6 | P206 P209 L210 F214 | P206-Q212 PolarHBondContact O-NE2 3.46Å; P209-Q212 PolarHBondContact O-N 3.03Å; L210-Q212 VanDerWaalsContact C-N 3.34Å; Q212-F214 WeakPolarHBondContact O-CD1 3.46Å; Q212-F214 PolarHBondContact O-N 2.83Å |
| 213 | R | 72.5 | Confident | 76.3 | Confident | 236 Ų | 236 | 101.8 Ų | 101.8 | 89% | 0.891 | 50% | 0.501 | S | S | * | . | trans | -69.2 | 120 | 172.4 | -72 | 179.9 | 166.1 | -178.5 | -5.1 | 108.8 | L159 | L159-R213 HydrophobicContact CD2-CB 4.41Å; L159-R213 WeakPolarHBondContact CD2-O 3.15Å | ||
| 214 | F | 71.2 | Confident | 75.5 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | trans | -121.3 | 153.1 | 175.9 | 57.3 | -94.7 | 0 | 0 | 0 | 110.8 | P163 Q212 | P163-F214 HydrophobicContact CG-CB 4.27Å; P163-F214 HydrophobicContact CG-CD2 4.42Å; P163-F214 HydrophobicContact CG-CG 4.18Å; Q212-F214 WeakPolarHBondContact O-CD1 3.46Å; Q212-F214 PolarHBondContact O-N 2.83Å | ||
| 215 | A | 69.4 | Low | 74.6 | Confident | 13 Ų | 13 | 99.6 Ų | 99.6 | 11% | 0.107 | 49% | 0.486 | C | S | . | . | trans | -79.6 | 141.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L159 R161 | L159-A215 HydrophobicContact CB-CB 3.68Å; L159-A215 HydrophobicContact CD1-CB 4.21Å; R161-A215 HydrophobicContact CG-CB 4.45Å | ||
| 216 | S | 69.8 | Low | 73.7 | Confident | 71 Ų | 71 | 105.2 Ų | 105.2 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | trans | -68.7 | 143 | 172.4 | 61.3 | 0 | 0 | 0 | 0 | 109.3 | N218 S219 | S216-N218 PolarHBondContact O-N 3.36Å; S216-S219 PolarHBondContact O-N 3.06Å; S216-S219 PolarHBondContact O-OG 3.04Å; S216-S219 VanDerWaalsContact O-OG 3.1Å; S216-S219 PolarHBondContact OG-N 3.13Å | ||
| 217 | Y | 60.6 | Low | 72.9 | Confident | 183 Ų | 183 | 105.7 Ų | 105.7 | 72% | 0.718 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -22.5 | -178 | 177.3 | -99 | 0 | 0 | 0 | 113.7 | H162 | H162-Y217 AromaticContact CE1-CD2 3.88Å; H162-Y217 AromaticContact CE1-CE2 3.88Å |
| 218 | N | 61.1 | Low | 72 | Confident | 138 Ų | 138 | 104.6 Ų | 104.6 | 74% | 0.738 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 14.8 | -179.3 | -77.9 | -22.6 | 0 | 0 | 0 | 114.5 | S216 K220 | S216-N218 PolarHBondContact O-N 3.36Å; N218-K220 PolarHBondContact O-N 3.43Å |
| 219 | S | 63 | Low | 70.7 | Confident | 69 Ų | 69 | 112.6 Ų | 112.6 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | trans | -72.4 | 112.1 | 171.8 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | S216 | S216-S219 PolarHBondContact O-N 3.06Å; S216-S219 PolarHBondContact O-OG 3.04Å; S216-S219 VanDerWaalsContact O-OG 3.1Å; S216-S219 PolarHBondContact OG-N 3.13Å | ||
| 220 | K | 49.5 | Very low | 69.3 | Low | 281 Ų | 281 | 122.5 Ų | 122.5 | 100% | 1.222 | 58% | 0.581 | S | S | * | * | trans | -64.3 | 0 | 169.4 | -85.4 | -175.4 | 175.3 | -177.5 | 0 | 111.2 | N218 | N218-K220 PolarHBondContact O-N 3.43Š|
Retrieved 220 of 220 residues in 365.7 ms
(Link to these results)