| 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 | 35.4 | Very low | 53.1 | Low | 239 Ų | 239 | 132.2 Ų | 132.2 | 100% | 1.177 | 73% | 0.734 | S | S | * | * | 0 | 153.1 | 0 | -75 | 168.7 | 163.9 | 0 | 0 | 108.6 | |||||
| 2 | S | 40.8 | Very low | 55 | Low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | trans | 49.4 | 103.1 | 159.6 | -49.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 3 | S | 48.4 | Very low | 57.2 | Low | 126 Ų | 126 | 125.7 Ų | 125.7 | 88% | 0.881 | 68% | 0.683 | S | S | * | * | trans | -88.1 | 103.3 | 162.7 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | A | 48.1 | Very low | 59.2 | Low | 77 Ų | 77 | 121 Ų | 121 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | trans | -159.9 | 94.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 5 | V | 45.9 | Very low | 60.9 | Low | 141 Ų | 141 | 115.3 Ų | 115.3 | 86% | 0.855 | 63% | 0.633 | S | S | * | * | trans | -178.9 | 75.6 | 140.8 | -91.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 6 | D | 56.7 | Low | 62.4 | Low | 142 Ų | 142 | 114.8 Ų | 114.8 | 76% | 0.759 | 63% | 0.625 | S | S | * | * | trans | -132.4 | 42.6 | 165.6 | -156.9 | -5.3 | 0 | 0 | 0 | 109.8 | K13 | D6-K13 PolarHBondContact O-NZ 3.37Š| ||
| 7 | L | 47.1 | Very low | 64 | Low | 138 Ų | 138 | 113.6 Ų | 113.6 | 72% | 0.723 | 62% | 0.618 | S | S | * | * | trans | -124.7 | 61.3 | -157.2 | -62.2 | 177.1 | 0 | 0 | 0 | 112.2 | T9 | L7-T9 PolarHBondContact O-N 2.99Š| ||
| 8 | K | 57.1 | Low | 65.5 | Low | 103 Ų | 103 | 112.1 Ų | 112.1 | 45% | 0.448 | 61% | 0.609 | S | S | . | * | S | Bend | -55.6 | 123.8 | 124.5 | -93 | -161.7 | 177.1 | -168.7 | 0 | 106 | E12 K13 E16 | K8-E12 WeakPolarHBondContact CA-OE2 3.31Å; K8-E12 WeakPolarHBondContact CB-OE2 2.96Å; K8-K13 HydrophobicContact CB-CD 4.44Å; K8-K13 HydrophobicContact CB-CG 4.35Å; K8-K13 PolarHBondContact O-NZ 3.43Å; K8-E16 IonicContact NZ-OE1 3.43Å; K8-E16 PolarHBondContact NZ-OE1 3.33Å; K8-E16 IonicContact NZ-OE2 3.86Å; K8-E16 PolarHBondContact NZ-OE2 3.06Å | |
| 9 | T | 62.3 | Low | 66.9 | Low | 60 Ų | 60 | 113.7 Ų | 113.7 | 37% | 0.368 | 61% | 0.609 | S | S | . | * | trans | -59.2 | 153.9 | -173.5 | 71.4 | 0 | 0 | 0 | 0 | 109.5 | L7 E11 E12 K13 | L7-T9 PolarHBondContact O-N 2.99Å; T9-E11 PolarHBondContact O-N 3.07Å; T9-E12 PolarHBondContact N-OE2 3.25Å; T9-E12 PolarHBondContact O-N 2.85Å; T9-E12 WeakPolarHBondContact OG1-CG 3.47Å; T9-E12 PolarHBondContact OG1-N 3.42Å; T9-K13 PolarHBondContact O-N 2.72Å | ||
| 10 | K | 69.4 | Low | 68.3 | Low | 156 Ų | 156 | 116.8 Ų | 116.8 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -56.5 | -41.2 | 176 | -170.1 | -168.4 | 170.1 | -86.4 | 0 | 109.9 | K13 D14 | K10-K13 WeakPolarHBondContact O-CB 3.14Å; K10-K13 PolarHBondContact O-N 2.94Å; K10-D14 IonicContact NZ-OD2 3.15Å; K10-D14 PolarHBondContact NZ-OD2 3.11Å; K10-D14 WeakPolarHBondContact O-CB 3.39Å; K10-D14 PolarHBondContact O-N 2.7Å |
| 11 | E | 72.9 | Confident | 69.5 | Low | 154 Ų | 154 | 114.5 Ų | 114.5 | 72% | 0.72 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.2 | -41.6 | 175.6 | -174.3 | 170.4 | -156 | 0 | 0 | 113.8 | T9 D14 A15 | T9-E11 PolarHBondContact O-N 3.07Å; E11-D14 PolarHBondContact O-N 2.98Å; E11-A15 WeakPolarHBondContact O-CB 3.14Å; E11-A15 PolarHBondContact O-N 3.13Å |
| 12 | E | 76.1 | Confident | 72.2 | Confident | 94 Ų | 94 | 108.6 Ų | 108.6 | 44% | 0.439 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.4 | -41.8 | 172.7 | -78.3 | 171.3 | 157.2 | 0 | 0 | 112.7 | K8 T9 A15 E16 | K8-E12 WeakPolarHBondContact CA-OE2 3.31Å; K8-E12 WeakPolarHBondContact CB-OE2 2.96Å; T9-E12 PolarHBondContact N-OE2 3.25Å; T9-E12 PolarHBondContact O-N 2.85Å; T9-E12 WeakPolarHBondContact OG1-CG 3.47Å; T9-E12 PolarHBondContact OG1-N 3.42Å; E12-A15 PolarHBondContact O-N 3.15Å; E12-E16 WeakPolarHBondContact O-CB 3.39Å; E12-E16 WeakPolarHBondContact O-CG 3.48Å; E12-E16 PolarHBondContact O-N 2.89Å |
| 13 | K | 83.4 | Confident | 74.7 | Confident | 86 Ų | 86 | 105.2 Ų | 105.2 | 37% | 0.374 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 178.6 | -71 | 160.7 | 175.3 | 145.9 | 0 | 110.8 | D6 K8 T9 K10 E16 L17 | D6-K13 PolarHBondContact O-NZ 3.37Å; K8-K13 HydrophobicContact CB-CD 4.44Å; K8-K13 HydrophobicContact CB-CG 4.35Å; K8-K13 PolarHBondContact O-NZ 3.43Å; T9-K13 PolarHBondContact O-N 2.72Å; K10-K13 WeakPolarHBondContact O-CB 3.14Å; K10-K13 PolarHBondContact O-N 2.94Å; K13-E16 PolarHBondContact O-N 2.71Å; K13-L17 WeakPolarHBondContact O-CG 3.5Å; K13-L17 PolarHBondContact O-N 3.47Å; K13-L17 VanDerWaalsContact O-N 3.12Å |
| 14 | D | 84.8 | Confident | 76.9 | Confident | 60 Ų | 60 | 103.5 Ų | 103.5 | 32% | 0.321 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 175.5 | -66.3 | -21.6 | 0 | 0 | 0 | 110.5 | K10 E11 E16 L17 D18 | K10-D14 IonicContact NZ-OD2 3.15Å; K10-D14 PolarHBondContact NZ-OD2 3.11Å; K10-D14 WeakPolarHBondContact O-CB 3.39Å; K10-D14 PolarHBondContact O-N 2.7Å; E11-D14 PolarHBondContact O-N 2.98Å; D14-E16 PolarHBondContact O-N 2.9Å; D14-L17 CarbonylContact O-C 3.59Å; D14-L17 WeakPolarHBondContact O-CA 3.4Å; D14-L17 WeakPolarHBondContact O-CB 3.39Å; D14-L17 PolarHBondContact O-N 3.21Å; D14-L17 VanDerWaalsContact O-N 3.08Å; D14-D18 PolarHBondContact O-N 2.82Å |
| 15 | A | 85.6 | Confident | 79 | Confident | 36 Ų | 36 | 107.3 Ų | 107.3 | 30% | 0.298 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.4 | -30.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E11 E12 L17 K19 | E11-A15 WeakPolarHBondContact O-CB 3.14Å; E11-A15 PolarHBondContact O-N 3.13Å; E12-A15 PolarHBondContact O-N 3.15Å; A15-L17 VanDerWaalsContact C-N 3.32Å; A15-K19 WeakPolarHBondContact O-CB 3.45Å; A15-K19 WeakPolarHBondContact O-CD 3.46Å; A15-K19 WeakPolarHBondContact O-CG 3.42Å; A15-K19 PolarHBondContact O-N 2.85Å |
| 16 | E | 83.8 | Confident | 81.4 | Confident | 106 Ų | 106 | 108 Ų | 108 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 168.3 | -82.7 | 179.7 | -163.7 | 0 | 0 | 111.8 | K8 E12 K13 D14 R20 | K8-E16 IonicContact NZ-OE1 3.43Å; K8-E16 PolarHBondContact NZ-OE1 3.33Å; K8-E16 IonicContact NZ-OE2 3.86Å; K8-E16 PolarHBondContact NZ-OE2 3.06Å; E12-E16 WeakPolarHBondContact O-CB 3.39Å; E12-E16 WeakPolarHBondContact O-CG 3.48Å; E12-E16 PolarHBondContact O-N 2.89Å; K13-E16 PolarHBondContact O-N 2.71Å; D14-E16 PolarHBondContact O-N 2.9Å; E16-R20 WeakPolarHBondContact O-CB 3.38Å; E16-R20 PolarHBondContact O-N 3.24Å |
| 17 | L | 90 | Very high | 83.3 | Confident | 96 Ų | 96 | 107.9 Ų | 107.9 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.6 | -44.7 | 173.7 | -68.9 | 172.1 | 0 | 0 | 0 | 111.8 | K13 D14 A15 R20 I21 | K13-L17 WeakPolarHBondContact O-CG 3.5Å; K13-L17 PolarHBondContact O-N 3.47Å; K13-L17 VanDerWaalsContact O-N 3.12Å; D14-L17 CarbonylContact O-C 3.59Å; D14-L17 WeakPolarHBondContact O-CA 3.4Å; D14-L17 WeakPolarHBondContact O-CB 3.39Å; D14-L17 PolarHBondContact O-N 3.21Å; D14-L17 VanDerWaalsContact O-N 3.08Å; A15-L17 VanDerWaalsContact C-N 3.32Å; L17-R20 CarbonylContact O-C 3.57Å; L17-R20 WeakPolarHBondContact O-CA 3.16Å; L17-R20 WeakPolarHBondContact O-CB 3.39Å; L17-R20 PolarHBondContact O-N 3.15Å; L17-R20 VanDerWaalsContact O-N 3.09Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 3.32Å |
| 18 | D | 90.9 | Very high | 85.5 | Confident | 86 Ų | 86 | 105.7 Ų | 105.7 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 178.6 | -80.9 | -36.5 | 0 | 0 | 0 | 112 | D14 R20 I21 E22 | D14-D18 PolarHBondContact O-N 2.82Å; D18-R20 PolarHBondContact O-N 2.78Å; D18-I21 CarbonylContact O-C 3.6Å; D18-I21 WeakPolarHBondContact O-CA 2.97Å; D18-I21 WeakPolarHBondContact O-CB 3.32Å; D18-I21 PolarHBondContact O-N 3.41Å; D18-E22 WeakPolarHBondContact O-CG 3.42Å; D18-E22 PolarHBondContact O-N 3.44Å |
| 19 | K | 92.9 | Very high | 87.3 | Confident | 142 Ų | 142 | 105.4 Ų | 105.4 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.5 | -35.2 | 171.5 | -72.6 | 164.7 | -173.4 | 166.5 | 0 | 112.2 | A15 A23 | A15-K19 WeakPolarHBondContact O-CB 3.45Å; A15-K19 WeakPolarHBondContact O-CD 3.46Å; A15-K19 WeakPolarHBondContact O-CG 3.42Å; A15-K19 PolarHBondContact O-N 2.85Å; K19-A23 VanDerWaalsContact O-CB 3.27Å; K19-A23 WeakPolarHBondContact O-CB 3.18Å; K19-A23 PolarHBondContact O-N 3.27Å |
| 20 | R | 94.6 | Very high | 88.8 | Confident | 175 Ų | 175 | 105.2 Ų | 105.2 | 66% | 0.66 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -73.3 | -36.6 | 174.8 | -176.2 | 176.6 | -179.5 | 161.9 | 0.3 | 112.5 | E16 L17 D18 L24 | E16-R20 WeakPolarHBondContact O-CB 3.38Å; E16-R20 PolarHBondContact O-N 3.24Å; L17-R20 CarbonylContact O-C 3.57Å; L17-R20 WeakPolarHBondContact O-CA 3.16Å; L17-R20 WeakPolarHBondContact O-CB 3.39Å; L17-R20 PolarHBondContact O-N 3.15Å; L17-R20 VanDerWaalsContact O-N 3.09Å; D18-R20 PolarHBondContact O-N 2.78Å; R20-L24 VanDerWaalsContact O-CG 3.32Å; R20-L24 WeakPolarHBondContact O-CG 3.3Å; R20-L24 PolarHBondContact O-N 3.42Å |
| 21 | I | 93.1 | Very high | 89.9 | Confident | 69 Ų | 69 | 102.2 Ų | 102.2 | 35% | 0.354 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 175.1 | -69.9 | 162.9 | 0 | 0 | 0 | 110.2 | L17 D18 L24 R25 | L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 3.32Å; D18-I21 CarbonylContact O-C 3.6Å; D18-I21 WeakPolarHBondContact O-CA 2.97Å; D18-I21 WeakPolarHBondContact O-CB 3.32Å; D18-I21 PolarHBondContact O-N 3.41Å; I21-L24 CarbonylContact O-C 3.53Å; I21-L24 WeakPolarHBondContact O-CB 3.35Å; I21-L24 PolarHBondContact O-N 3.38Å; I21-R25 HydrophobicContact CG2-CG 4.5Å; I21-R25 VanDerWaalsContact CG2-CZ 3.47Å; I21-R25 WeakPolarHBondContact O-CG 3.18Å; I21-R25 PolarHBondContact O-N 2.92Å |
| 22 | E | 93 | Very high | 90.9 | Very high | 115 Ų | 115 | 98.8 Ų | 98.8 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 174.1 | -70.7 | -176.7 | 162.7 | 0 | 0 | 112.3 | D18 L24 R25 K26 | D18-E22 WeakPolarHBondContact O-CG 3.42Å; D18-E22 PolarHBondContact O-N 3.44Å; E22-L24 PolarHBondContact O-N 3.22Å; E22-R25 PolarHBondContact O-N 3.25Å; E22-R25 VanDerWaalsContact O-N 3.15Å; E22-K26 WeakPolarHBondContact O-CB 3.4Å; E22-K26 PolarHBondContact O-N 3.44Å |
| 23 | A | 91.9 | Very high | 91.9 | Very high | 47 Ų | 47 | 99.9 Ų | 99.9 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -30.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | K19 K27 | K19-A23 VanDerWaalsContact O-CB 3.27Å; K19-A23 WeakPolarHBondContact O-CB 3.18Å; K19-A23 PolarHBondContact O-N 3.27Å; A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 WeakPolarHBondContact O-CD 3.49Å; A23-K27 WeakPolarHBondContact O-CG 3.48Å; A23-K27 PolarHBondContact O-N 2.85Å |
| 24 | L | 94.4 | Very high | 92.4 | Very high | 90 Ų | 90 | 102.6 Ų | 102.6 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.9 | -42.9 | 171.6 | -74.5 | 168.7 | 0 | 0 | 0 | 112.2 | R20 I21 E22 K26 K27 N28 | R20-L24 VanDerWaalsContact O-CG 3.32Å; R20-L24 WeakPolarHBondContact O-CG 3.3Å; R20-L24 PolarHBondContact O-N 3.42Å; I21-L24 CarbonylContact O-C 3.53Å; I21-L24 WeakPolarHBondContact O-CB 3.35Å; I21-L24 PolarHBondContact O-N 3.38Å; E22-L24 PolarHBondContact O-N 3.22Å; L24-K26 PolarHBondContact O-N 2.75Å; L24-K27 PolarHBondContact O-N 2.92Å; L24-N28 WeakPolarHBondContact O-CB 3.37Å; L24-N28 PolarHBondContact O-N 3.06Å; L24-N28 PolarHBondContact O-OD1 3.06Å |
| 25 | R | 93.5 | Very high | 92.8 | Very high | 157 Ų | 157 | 107.5 Ų | 107.5 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.2 | -49.9 | 173.9 | -74.1 | 171.6 | 179.1 | 149.8 | 1 | 110.8 | I21 E22 K27 N28 E29 | I21-R25 HydrophobicContact CG2-CG 4.5Å; I21-R25 VanDerWaalsContact CG2-CZ 3.47Å; I21-R25 WeakPolarHBondContact O-CG 3.18Å; I21-R25 PolarHBondContact O-N 2.92Å; E22-R25 PolarHBondContact O-N 3.25Å; E22-R25 VanDerWaalsContact O-N 3.15Å; R25-K27 PolarHBondContact O-N 3.11Å; R25-N28 PolarHBondContact O-N 2.92Å; R25-E29 WeakPolarHBondContact O-CB 3.36Å; R25-E29 PolarHBondContact O-N 3.44Å |
| 26 | K | 96.2 | Very high | 93.3 | Very high | 157 Ų | 157 | 110.8 Ų | 110.8 | 68% | 0.683 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -35.6 | 178.7 | -170 | 169.7 | -175.6 | 171 | 0 | 113.1 | E22 L24 A30 | E22-K26 WeakPolarHBondContact O-CB 3.4Å; E22-K26 PolarHBondContact O-N 3.44Å; L24-K26 PolarHBondContact O-N 2.75Å; K26-A30 WeakPolarHBondContact O-CB 3.33Å; K26-A30 PolarHBondContact O-N 2.98Å |
| 27 | K | 96.8 | Very high | 93.7 | Very high | 138 Ų | 138 | 111.2 Ų | 111.2 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.8 | -41.2 | 172.4 | -77.9 | 172.2 | -178 | 178.5 | 0 | 112.1 | A23 L24 R25 A30 L31 | A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 WeakPolarHBondContact O-CD 3.49Å; A23-K27 WeakPolarHBondContact O-CG 3.48Å; A23-K27 PolarHBondContact O-N 2.85Å; L24-K27 PolarHBondContact O-N 2.92Å; R25-K27 PolarHBondContact O-N 3.11Å; K27-A30 PolarHBondContact O-N 3.47Å; K27-L31 WeakPolarHBondContact O-CG 3.38Å; K27-L31 PolarHBondContact O-N 3.44Å |
| 28 | N | 92.9 | Very high | 93.8 | Very high | 93 Ų | 93 | 110.3 Ų | 110.3 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 176.6 | -67.7 | -8.7 | 0 | 0 | 0 | 111.4 | L24 R25 L31 V32 | L24-N28 WeakPolarHBondContact O-CB 3.37Å; L24-N28 PolarHBondContact O-N 3.06Å; L24-N28 PolarHBondContact O-OD1 3.06Å; R25-N28 PolarHBondContact O-N 2.92Å; N28-L31 WeakPolarHBondContact O-CB 3.3Å; N28-L31 PolarHBondContact O-N 3.24Å; N28-V32 WeakPolarHBondContact O-CG2 3.45Å; N28-V32 PolarHBondContact O-N 2.78Å |
| 29 | E | 94.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 112.6 Ų | 112.6 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 173.1 | -170.9 | -157.1 | 145.8 | 0 | 0 | 111.5 | R25 L31 V32 K33 | R25-E29 WeakPolarHBondContact O-CB 3.36Å; R25-E29 PolarHBondContact O-N 3.44Å; E29-L31 VanDerWaalsContact C-N 3.31Å; E29-L31 PolarHBondContact O-N 3.08Å; E29-V32 PolarHBondContact O-N 3.39Å; E29-K33 HydrophobicContact CG-CD 4.39Å; E29-K33 WeakPolarHBondContact O-CB 3.44Å; E29-K33 WeakPolarHBondContact O-CG 3.49Å; E29-K33 PolarHBondContact O-N 2.8Å; E29-K33 WeakPolarHBondContact OE1-CE 3.49Å; E29-K33 IonicContact OE1-NZ 3.55Å; E29-K33 PolarHBondContact OE1-NZ 2.84Å |
| 30 | A | 93.9 | Very high | 93.7 | Very high | 57 Ų | 57 | 112.3 Ų | 112.3 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K26 K27 R34 | K26-A30 WeakPolarHBondContact O-CB 3.33Å; K26-A30 PolarHBondContact O-N 2.98Å; K27-A30 PolarHBondContact O-N 3.47Å; A30-R34 WeakPolarHBondContact O-CB 3.49Å; A30-R34 PolarHBondContact O-N 3.46Å |
| 31 | L | 92.6 | Very high | 93.4 | Very high | 93 Ų | 93 | 108.5 Ų | 108.5 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 172.5 | -73.4 | 169.2 | 0 | 0 | 0 | 111.8 | K27 N28 E29 R34 Y35 | K27-L31 WeakPolarHBondContact O-CG 3.38Å; K27-L31 PolarHBondContact O-N 3.44Å; N28-L31 WeakPolarHBondContact O-CB 3.3Å; N28-L31 PolarHBondContact O-N 3.24Å; E29-L31 VanDerWaalsContact C-N 3.31Å; E29-L31 PolarHBondContact O-N 3.08Å; L31-R34 PolarHBondContact O-N 2.98Å; L31-Y35 WeakPolarHBondContact O-CD2 3.35Å; L31-Y35 PolarHBondContact O-N 3.02Å |
| 32 | V | 94.7 | Very high | 93.4 | Very high | 81 Ų | 81 | 110.9 Ų | 110.9 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | N28 E29 R34 Y35 Q36 | N28-V32 WeakPolarHBondContact O-CG2 3.45Å; N28-V32 PolarHBondContact O-N 2.78Å; E29-V32 PolarHBondContact O-N 3.39Å; V32-R34 VanDerWaalsContact C-N 3.35Å; V32-R34 PolarHBondContact O-N 3.37Å; V32-Y35 PolarHBondContact O-N 2.65Å; V32-Y35 VanDerWaalsContact O-N 3.11Å; V32-Q36 WeakPolarHBondContact O-CG 3.2Å; V32-Q36 PolarHBondContact O-N 3.15Å |
| 33 | K | 96.1 | Very high | 93.2 | Very high | 117 Ų | 117 | 111.8 Ų | 111.8 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 175.5 | -78 | 175.6 | 168.8 | 172.1 | 0 | 111.9 | E29 Y35 Q36 E37 | E29-K33 HydrophobicContact CG-CD 4.39Å; E29-K33 WeakPolarHBondContact O-CB 3.44Å; E29-K33 WeakPolarHBondContact O-CG 3.49Å; E29-K33 PolarHBondContact O-N 2.8Å; E29-K33 WeakPolarHBondContact OE1-CE 3.49Å; E29-K33 IonicContact OE1-NZ 3.55Å; E29-K33 PolarHBondContact OE1-NZ 2.84Å; K33-Y35 VanDerWaalsContact C-N 3.33Å; K33-Y35 PolarHBondContact O-N 3.43Å; K33-Q36 PolarHBondContact O-N 2.8Å; K33-E37 WeakPolarHBondContact O-CB 3.42Å; K33-E37 PolarHBondContact O-N 2.87Å |
| 34 | R | 94.9 | Very high | 93 | Very high | 143 Ų | 143 | 114.5 Ų | 114.5 | 54% | 0.54 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 174.9 | -173.8 | 175.9 | 177.1 | -83.9 | -4.3 | 113 | A30 L31 V32 I38 | A30-R34 WeakPolarHBondContact O-CB 3.49Å; A30-R34 PolarHBondContact O-N 3.46Å; L31-R34 PolarHBondContact O-N 2.98Å; V32-R34 VanDerWaalsContact C-N 3.35Å; V32-R34 PolarHBondContact O-N 3.37Å; R34-I38 HydrophobicContact CG-CD1 3.99Å; R34-I38 WeakPolarHBondContact O-CB 3.41Å; R34-I38 WeakPolarHBondContact O-CD1 3.41Å; R34-I38 WeakPolarHBondContact O-CG1 3.4Å; R34-I38 PolarHBondContact O-N 3.23Å |
| 35 | Y | 93.5 | Very high | 92.2 | Very high | 164 Ų | 164 | 111.9 Ų | 111.9 | 64% | 0.643 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.7 | -39.3 | 173.1 | -85.3 | -65.9 | 0 | 0 | 0 | 112.1 | L31 V32 K33 I38 E39 | L31-Y35 WeakPolarHBondContact O-CD2 3.35Å; L31-Y35 PolarHBondContact O-N 3.02Å; V32-Y35 PolarHBondContact O-N 2.65Å; V32-Y35 VanDerWaalsContact O-N 3.11Å; K33-Y35 VanDerWaalsContact C-N 3.33Å; K33-Y35 PolarHBondContact O-N 3.43Å; Y35-I38 PolarHBondContact O-N 3.19Å; Y35-E39 WeakPolarHBondContact O-CB 3.31Å; Y35-E39 PolarHBondContact O-N 2.82Å |
| 36 | Q | 95.3 | Very high | 91.5 | Very high | 104 Ų | 104 | 110 Ų | 110 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 173.6 | -70.8 | 171.3 | -33 | 0 | 0 | 111.2 | V32 K33 I38 E39 E40 | V32-Q36 WeakPolarHBondContact O-CG 3.2Å; V32-Q36 PolarHBondContact O-N 3.15Å; K33-Q36 PolarHBondContact O-N 2.8Å; Q36-I38 VanDerWaalsContact C-N 3.35Å; Q36-I38 PolarHBondContact O-N 3.28Å; Q36-E39 CarbonylContact O-C 3.58Å; Q36-E39 PolarHBondContact O-N 3.48Å; Q36-E39 VanDerWaalsContact O-N 3.08Å; Q36-E40 WeakPolarHBondContact O-CB 3.32Å; Q36-E40 WeakPolarHBondContact O-CG 3.4Å; Q36-E40 PolarHBondContact O-N 3.42Å |
| 37 | E | 92.4 | Very high | 90.3 | Very high | 116 Ų | 116 | 109.8 Ų | 109.8 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -53.1 | -47.8 | 173.3 | 179.2 | -177.6 | -141.3 | 0 | 0 | 111.8 | K33 E39 E40 D41 | K33-E37 WeakPolarHBondContact O-CB 3.42Å; K33-E37 PolarHBondContact O-N 2.87Å; E37-E39 PolarHBondContact O-N 3.03Å; E37-E40 PolarHBondContact O-N 2.86Å; E37-D41 WeakPolarHBondContact O-CB 3.4Å; E37-D41 PolarHBondContact O-N 3.42Å |
| 38 | I | 91.8 | Very high | 89.1 | Confident | 77 Ų | 77 | 108.5 Ų | 108.5 | 40% | 0.395 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 176.7 | -72.3 | 167 | 0 | 0 | 0 | 112.4 | R34 Y35 Q36 K42 | R34-I38 HydrophobicContact CG-CD1 3.99Å; R34-I38 WeakPolarHBondContact O-CB 3.41Å; R34-I38 WeakPolarHBondContact O-CD1 3.41Å; R34-I38 WeakPolarHBondContact O-CG1 3.4Å; R34-I38 PolarHBondContact O-N 3.23Å; Y35-I38 PolarHBondContact O-N 3.19Å; Q36-I38 VanDerWaalsContact C-N 3.35Å; Q36-I38 PolarHBondContact O-N 3.28Å; I38-K42 WeakPolarHBondContact O-CB 3.41Å; I38-K42 PolarHBondContact O-N 3.42Å |
| 39 | E | 91.1 | Very high | 87.5 | Confident | 134 Ų | 134 | 107 Ų | 107 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73.1 | -37.5 | 176.9 | -174.7 | 160.6 | -140.8 | 0 | 0 | 111.9 | Y35 Q36 E37 K43 | Y35-E39 WeakPolarHBondContact O-CB 3.31Å; Y35-E39 PolarHBondContact O-N 2.82Å; Q36-E39 CarbonylContact O-C 3.58Å; Q36-E39 PolarHBondContact O-N 3.48Å; Q36-E39 VanDerWaalsContact O-N 3.08Å; E37-E39 PolarHBondContact O-N 3.03Å; E39-K43 WeakPolarHBondContact O-CB 3.2Å; E39-K43 PolarHBondContact O-N 2.8Å |
| 40 | E | 90.6 | Very high | 85.5 | Confident | 136 Ų | 136 | 108.3 Ų | 108.3 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.5 | -48.6 | 173.5 | -73.6 | 179.9 | -170.2 | 0 | 0 | 111.6 | Q36 E37 K42 K43 K44 | Q36-E40 WeakPolarHBondContact O-CB 3.32Å; Q36-E40 WeakPolarHBondContact O-CG 3.4Å; Q36-E40 PolarHBondContact O-N 3.42Å; E37-E40 PolarHBondContact O-N 2.86Å; E40-K42 VanDerWaalsContact C-N 3.34Å; E40-K42 PolarHBondContact O-N 2.89Å; E40-K43 CarbonylContact O-C 3.58Å; E40-K43 PolarHBondContact O-N 3.26Å; E40-K44 WeakPolarHBondContact O-CB 3.18Å; E40-K44 PolarHBondContact O-N 3Å |
| 41 | D | 89.4 | Confident | 83.3 | Confident | 95 Ų | 95 | 107.4 Ų | 107.4 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 175.1 | -99.3 | -7.2 | 0 | 0 | 0 | 111.9 | E37 K44 A45 | E37-D41 WeakPolarHBondContact O-CB 3.4Å; E37-D41 PolarHBondContact O-N 3.42Å; D41-K44 PolarHBondContact O-N 2.7Å; D41-A45 VanDerWaalsContact O-CB 3.3Å; D41-A45 WeakPolarHBondContact O-CB 3.46Å; D41-A45 PolarHBondContact O-N 3.2Å |
| 42 | K | 91.6 | Very high | 80.9 | Confident | 119 Ų | 119 | 109.4 Ų | 109.4 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -51.1 | 173.4 | 179.2 | -165.4 | 162.8 | -159.3 | 0 | 110.8 | I38 E40 K44 A45 E46 | I38-K42 WeakPolarHBondContact O-CB 3.41Å; I38-K42 PolarHBondContact O-N 3.42Å; E40-K42 VanDerWaalsContact C-N 3.34Å; E40-K42 PolarHBondContact O-N 2.89Å; K42-K44 PolarHBondContact O-N 3.32Å; K42-A45 PolarHBondContact O-N 3Å; K42-E46 WeakPolarHBondContact CE-OE1 3.27Å; K42-E46 IonicContact NZ-OE1 3.77Å; K42-E46 WeakPolarHBondContact O-CB 3.49Å; K42-E46 WeakPolarHBondContact O-CG 3.34Å; K42-E46 PolarHBondContact O-N 3.13Å |
| 43 | K | 89.1 | Confident | 78.6 | Confident | 134 Ų | 134 | 111.1 Ų | 111.1 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.9 | -28.6 | -178.9 | -169 | -178.6 | -178.1 | -178.6 | 0 | 111.8 | E39 E40 Q47 | E39-K43 WeakPolarHBondContact O-CB 3.2Å; E39-K43 PolarHBondContact O-N 2.8Å; E40-K43 CarbonylContact O-C 3.58Å; E40-K43 PolarHBondContact O-N 3.26Å; K43-Q47 WeakPolarHBondContact O-CB 3.27Å; K43-Q47 VanDerWaalsContact O-CG 3.31Å; K43-Q47 WeakPolarHBondContact O-CG 3.1Å; K43-Q47 PolarHBondContact O-N 3.22Å; K43-Q47 VanDerWaalsContact O-N 3.15Å; K43-Q47 PolarHBondContact O-NE2 2.83Å |
| 44 | K | 88.1 | Confident | 76 | Confident | 104 Ų | 104 | 110.4 Ų | 110.4 | 45% | 0.452 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74.1 | -47.4 | 172.5 | 179.3 | -179.1 | 170.2 | -167.5 | 0 | 111.6 | E40 D41 K42 E46 Q47 E48 | E40-K44 WeakPolarHBondContact O-CB 3.18Å; E40-K44 PolarHBondContact O-N 3Å; D41-K44 PolarHBondContact O-N 2.7Å; K42-K44 PolarHBondContact O-N 3.32Å; K44-E46 VanDerWaalsContact C-N 3.25Å; K44-E46 PolarHBondContact O-N 3.09Å; K44-Q47 CarbonylContact O-C 3.6Å; K44-Q47 PolarHBondContact O-N 3.04Å; K44-E48 WeakPolarHBondContact CE-OE1 3.42Å; K44-E48 HydrophobicContact CG-CG 4.34Å; K44-E48 VanDerWaalsContact CG-OE1 3.32Å; K44-E48 WeakPolarHBondContact CG-OE1 3.46Å; K44-E48 WeakPolarHBondContact O-CB 3.38Å; K44-E48 WeakPolarHBondContact O-CG 3.36Å; K44-E48 PolarHBondContact O-N 2.86Å |
| 45 | A | 78.3 | Confident | 73.5 | Confident | 35 Ų | 35 | 108.8 Ų | 108.8 | 29% | 0.289 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.4 | -29.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D41 K42 G49 I50 A51 | D41-A45 VanDerWaalsContact O-CB 3.3Å; D41-A45 WeakPolarHBondContact O-CB 3.46Å; D41-A45 PolarHBondContact O-N 3.2Å; K42-A45 PolarHBondContact O-N 3Å; A45-G49 PolarHBondContact O-N 2.8Å; A45-I50 PolarHBondContact O-N 3.01Å; A45-A51 PolarHBondContact O-N 2.99Å |
| 46 | E | 77.9 | Confident | 70.9 | Confident | 117 Ų | 117 | 112.1 Ų | 112.1 | 55% | 0.547 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70 | -41.5 | 169.2 | -74.7 | 175.1 | 177.3 | 0 | 0 | 112.1 | K42 K44 G49 | K42-E46 WeakPolarHBondContact CE-OE1 3.27Å; K42-E46 IonicContact NZ-OE1 3.77Å; K42-E46 WeakPolarHBondContact O-CB 3.49Å; K42-E46 WeakPolarHBondContact O-CG 3.34Å; K42-E46 PolarHBondContact O-N 3.13Å; K44-E46 VanDerWaalsContact C-N 3.25Å; K44-E46 PolarHBondContact O-N 3.09Å; E46-G49 PolarHBondContact O-N 2.83Å |
| 47 | Q | 71.3 | Confident | 68.2 | Low | 153 Ų | 153 | 115.6 Ų | 115.6 | 72% | 0.715 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.5 | -37.3 | 175.6 | -79.6 | 169.2 | 88.7 | 0 | 0 | 113.6 | K43 K44 G49 | K43-Q47 WeakPolarHBondContact O-CB 3.27Å; K43-Q47 VanDerWaalsContact O-CG 3.31Å; K43-Q47 WeakPolarHBondContact O-CG 3.1Å; K43-Q47 PolarHBondContact O-N 3.22Å; K43-Q47 VanDerWaalsContact O-N 3.15Å; K43-Q47 PolarHBondContact O-NE2 2.83Å; K44-Q47 CarbonylContact O-C 3.6Å; K44-Q47 PolarHBondContact O-N 3.04Å; Q47-G49 PolarHBondContact O-N 3.24Å |
| 48 | E | 70.9 | Confident | 65.7 | Low | 111 Ų | 111 | 115.6 Ų | 115.6 | 52% | 0.519 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.8 | -10.2 | 177.9 | -69.7 | 175 | -178.4 | 0 | 0 | 112.1 | K44 I50 | K44-E48 WeakPolarHBondContact CE-OE1 3.42Å; K44-E48 HydrophobicContact CG-CG 4.34Å; K44-E48 VanDerWaalsContact CG-OE1 3.32Å; K44-E48 WeakPolarHBondContact CG-OE1 3.46Å; K44-E48 WeakPolarHBondContact O-CB 3.38Å; K44-E48 WeakPolarHBondContact O-CG 3.36Å; K44-E48 PolarHBondContact O-N 2.86Å; E48-I50 HydrophobicContact CB-CD1 4.13Å; E48-I50 HydrophobicContact CB-CG1 4.33Å; E48-I50 PolarHBondContact O-N 3.27Å |
| 49 | G | 59.6 | Low | 63 | Low | 61 Ų | 61 | 123.6 Ų | 123.6 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.4 | 9.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | A45 E46 Q47 | A45-G49 PolarHBondContact O-N 2.8Å; E46-G49 PolarHBondContact O-N 2.83Å; Q47-G49 PolarHBondContact O-N 3.24Å |
| 50 | I | 53.3 | Low | 60.3 | Low | 123 Ų | 123 | 123.2 Ų | 123.2 | 63% | 0.631 | 64% | 0.635 | S | S | * | * | trans | -82 | -17.9 | -177.4 | -62.9 | 169.1 | 0 | 0 | 0 | 111.3 | A45 E48 V52 | A45-I50 PolarHBondContact O-N 3.01Å; E48-I50 HydrophobicContact CB-CD1 4.13Å; E48-I50 HydrophobicContact CB-CG1 4.33Å; E48-I50 PolarHBondContact O-N 3.27Å; I50-V52 PolarHBondContact O-N 3.15Å | ||
| 51 | A | 46.8 | Very low | 57.6 | Low | 39 Ų | 39 | 125 Ų | 125 | 32% | 0.322 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -56.7 | 113.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A45 T53 | A45-A51 PolarHBondContact O-N 2.99Å; A51-T53 HydrophobicContact CB-CG2 4.39Å; A51-T53 PolarHBondContact O-N 3.31Å |
| 52 | V | 43.3 | Very low | 54.9 | Low | 134 Ų | 134 | 128.4 Ų | 128.4 | 81% | 0.812 | 66% | 0.655 | S | S | * | * | trans | -74.7 | 63.5 | 176.4 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | I50 T54 | I50-V52 PolarHBondContact O-N 3.15Å; V52-T54 PolarHBondContact O-N 2.98Å | ||
| 53 | T | 45.3 | Very low | 52.6 | Low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.724 | 66% | 0.663 | S | S | * | * | trans | -71 | 86.1 | 165.2 | 57.8 | 0 | 0 | 0 | 0 | 108 | A51 | A51-T53 HydrophobicContact CB-CG2 4.39Å; A51-T53 PolarHBondContact O-N 3.31Å | ||
| 54 | T | 42.3 | Very low | 50 | Low | 101 Ų | 101 | 131 Ų | 131 | 62% | 0.62 | 68% | 0.681 | S | S | * | * | trans | -48.9 | 129.7 | 158.5 | 55.3 | 0 | 0 | 0 | 0 | 107.6 | V52 R56 | V52-T54 PolarHBondContact O-N 2.98Å; T54-R56 PolarHBondContact O-N 2.9Å | ||
| 55 | P | 40.8 | Very low | 47.8 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 69% | 0.692 | S | S | * | * | trans | -76 | 75.8 | -168.1 | 28.8 | -35.7 | 0 | 0 | 0 | 111.4 | K57 | P55-K57 VanDerWaalsContact C-N 3.34Å; P55-K57 PolarHBondContact O-N 3.06Å | ||
| 56 | R | 40.4 | Very low | 46.1 | Very low | 234 Ų | 234 | 135.1 Ų | 135.1 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | trans | -58.8 | 100.4 | 157.9 | -88.1 | -169.3 | 144.8 | 126.3 | 0.3 | 107 | T54 | T54-R56 PolarHBondContact O-N 2.9Š| ||
| 57 | K | 39 | Very low | 44.2 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | -46 | 131.3 | 170.1 | -91.7 | 70.8 | 173.9 | -179 | 0 | 108.4 | P55 R59 | P55-K57 VanDerWaalsContact C-N 3.34Å; P55-K57 PolarHBondContact O-N 3.06Å; K57-R59 PolarHBondContact O-N 3.23Å; K57-R59 VanDerWaalsContact O-N 3.13Å | ||
| 58 | P | 39.7 | Very low | 42.9 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | -58.8 | 121.3 | 166.1 | 25.8 | -32.2 | 0 | 0 | 0 | 107.5 | T60 | P58-T60 PolarHBondContact O-N 2.95Š| ||
| 59 | R | 33.8 | Very low | 41.5 | Very low | 244 Ų | 244 | 149.1 Ų | 149.1 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | -69.7 | 99.7 | 175.8 | 176.5 | 177.1 | 169 | 131.2 | -1.8 | 107.4 | K57 H61 | K57-R59 PolarHBondContact O-N 3.23Å; K57-R59 VanDerWaalsContact O-N 3.13Å; R59-H61 PolarHBondContact O-N 3.09Å; R59-H61 VanDerWaalsContact O-N 3.07Å | ||
| 60 | T | 35 | Very low | 40.4 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -56.6 | 111.6 | 174.4 | 43.2 | 0 | 0 | 0 | 0 | 109.6 | P58 E62 | P58-T60 PolarHBondContact O-N 2.95Å; T60-E62 VanDerWaalsContact C-N 3.27Å; T60-E62 PolarHBondContact O-N 2.8Å; T60-E62 VanDerWaalsContact O-N 3.11Å | ||
| 61 | H | 34.7 | Very low | 39.4 | Very low | 172 Ų | 172 | 154 Ų | 154 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | -82 | 77.5 | 170.9 | -178.8 | -68.9 | 0 | 0 | 0 | 108.6 | R59 | R59-H61 PolarHBondContact O-N 3.09Å; R59-H61 VanDerWaalsContact O-N 3.07Å | ||
| 62 | E | 31.6 | Very low | 39.3 | Very low | 168 Ų | 168 | 160.6 Ų | 160.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -76.8 | 135.5 | 163.1 | -172.4 | 174.5 | -146.8 | 0 | 0 | 108.8 | T60 E64 | T60-E62 VanDerWaalsContact C-N 3.27Å; T60-E62 PolarHBondContact O-N 2.8Å; T60-E62 VanDerWaalsContact O-N 3.11Å; E62-E64 PolarHBondContact O-N 3.47Å | ||
| 63 | P | 43.3 | Very low | 39.5 | Very low | 104 Ų | 104 | 161.4 Ų | 161.4 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -70.3 | 114.1 | 175.8 | 27.9 | -33.4 | 0 | 0 | 0 | 110.9 | A65 | P63-A65 PolarHBondContact O-N 2.88Š| ||
| 64 | E | 35 | Very low | 39 | Very low | 204 Ų | 204 | 162.4 Ų | 162.4 | 95% | 0.953 | 79% | 0.785 | S | S | * | * | trans | -69.4 | 92.3 | 179.8 | -174.4 | 176 | -163.6 | 0 | 0 | 111.6 | E62 | E62-E64 PolarHBondContact O-N 3.47Š| ||
| 65 | A | 42.3 | Very low | 38.9 | Very low | 84 Ų | 84 | 164.4 Ų | 164.4 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | trans | -144.9 | 125.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | P63 | P63-A65 PolarHBondContact O-N 2.88Š| ||
| 66 | D | 42.7 | Very low | 38.4 | Very low | 141 Ų | 141 | 164.5 Ų | 164.5 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 47.9 | 83.5 | 160.8 | -69.1 | -35.6 | 0 | 0 | 0 | 120.5 | ||||
| 67 | R | 38.3 | Very low | 38.2 | Very low | 255 Ų | 255 | 160.2 Ų | 160.2 | 96% | 0.962 | 79% | 0.789 | S | S | * | * | trans | -149.7 | 94 | 131.3 | -100.1 | 125.8 | -159.3 | -131.6 | 2.3 | 113.5 | ||||
| 68 | R | 42.2 | Very low | 38.1 | Very low | 226 Ų | 226 | 157.5 Ų | 157.5 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -85 | 131.7 | 162.2 | -56.7 | 177.1 | -176.9 | -175.2 | 0.3 | 110.2 | ||||
| 69 | K | 41.6 | Very low | 38.2 | Very low | 194 Ų | 194 | 157.9 Ų | 157.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 168.3 | 152 | 146 | -94.5 | 151.8 | -172.5 | 179.4 | 0 | 110.7 | ||||
| 70 | T | 37.1 | Very low | 38 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | trans | 47.9 | 128.4 | 156.3 | 49.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 71 | E | 32.7 | Very low | 38.1 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | cis | -148.1 | 153.7 | 9.7 | -93.9 | 138.6 | 151.4 | 0 | 0 | 106.5 | ||||
| 72 | K | 45.3 | Very low | 38.2 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | cis | 54.9 | 76.3 | 41 | -86.7 | -156.7 | 175 | -166.8 | 0 | 114.8 | ||||
| 73 | E | 46.8 | Very low | 38.6 | Very low | 150 Ų | 150 | 151.2 Ų | 151.2 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | 158.2 | 144.4 | 111.6 | -85.5 | 158.9 | -144.1 | 0 | 0 | 113.1 | |||||
| 74 | N | 35.5 | Very low | 39 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | 66 | 160.3 | 161.4 | -53.6 | -32.6 | 0 | 0 | 0 | 116.4 | ||||
| 75 | L | 38.5 | Very low | 38.7 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | cis | -141.7 | 168.1 | -10.7 | -152.9 | 66.3 | 0 | 0 | 0 | 110.1 | ||||
| 76 | T | 30.6 | Very low | 38.1 | Very low | 111 Ų | 111 | 147 Ų | 147 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | -46.7 | 140.1 | 176.1 | 51.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 77 | V | 36.9 | Very low | 37.7 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | -118.1 | 111.4 | 147.6 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 78 | T | 36.5 | Very low | 37.4 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 136.6 | 179.5 | 43 | 0 | 0 | 0 | 0 | 111.4 | ||
| 79 | V | 41.1 | Very low | 37.5 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 116.8 | 167.2 | 175.2 | 0 | 0 | 0 | 0 | 108.6 | L81 | V79-L81 HydrophobicContact CG1-CD1 3.85Å; V79-L81 HydrophobicContact CG1-CG 3.84Å |
| 80 | D | 29.8 | Very low | 37.2 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 142.2 | 163.4 | -160.6 | -42.1 | 0 | 0 | 0 | 109.1 | S82 | D80-S82 PolarHBondContact OD1-N 3.2Å; D80-S82 PolarHBondContact OD1-OG 3.46Å |
| 81 | L | 38.7 | Very low | 37.1 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -138.8 | 61.7 | -172.3 | -85.1 | 170.1 | 0 | 0 | 0 | 110.9 | V79 | V79-L81 HydrophobicContact CG1-CD1 3.85Å; V79-L81 HydrophobicContact CG1-CG 3.84Å | ||
| 82 | S | 36.1 | Very low | 37.1 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -104.6 | 136.4 | 176.5 | 35.3 | 0 | 0 | 0 | 0 | 112.2 | D80 | D80-S82 PolarHBondContact OD1-N 3.2Å; D80-S82 PolarHBondContact OD1-OG 3.46Å | ||
| 83 | K | 40.3 | Very low | 36.3 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | -112 | 178.4 | -178.2 | -77.4 | 157.8 | 176.3 | 162.7 | 0 | 108.3 | ||||
| 84 | P | 50.4 | Low | 35.7 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -139.7 | -179.1 | 10 | 41.4 | -22.1 | 0 | 0 | 0 | 116.9 | ||||
| 85 | A | 28.8 | Very low | 35.4 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | 52.9 | 124.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 86 | G | 30.9 | Very low | 35.2 | Very low | 80 Ų | 80 | 144.5 Ų | 144.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -168.4 | 126.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 87 | Q | 33.8 | Very low | 35.6 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -90.2 | 139.6 | 167.5 | -63.9 | 179.5 | 0.6 | 0 | 0 | 108.1 | ||||
| 88 | D | 32.3 | Very low | 35.2 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -153.2 | 159.4 | 144.5 | -133.1 | -35.8 | 0 | 0 | 0 | 113.5 | ||||
| 89 | K | 44.6 | Very low | 35.6 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 73% | 0.726 | 79% | 0.786 | S | S | * | * | trans | -133 | 125.4 | -177.9 | -56.4 | 172.2 | -175.4 | 174.1 | 0 | 109.5 | ||||
| 90 | R | 35.8 | Very low | 35.6 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | 162.2 | 143.6 | 128.8 | -92.3 | 163.3 | -77 | -163.3 | -1.6 | 114.8 | |||||
| 91 | V | 33.8 | Very low | 35.8 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | trans | 57.8 | 125.5 | 135.1 | 178.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 92 | V | 31.9 | Very low | 35.2 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | 177.9 | 98.7 | 126.2 | 152.3 | 0 | 0 | 0 | 0 | 104 | |||||
| 93 | N | 30.2 | Very low | 35 | Very low | 120 Ų | 120 | 152.5 Ų | 152.5 | 64% | 0.642 | 80% | 0.803 | S | S | * | * | 74.3 | 117.3 | 77.6 | -74.2 | 21.5 | 0 | 0 | 0 | 114.5 | |||||
| 94 | D | 33.6 | Very low | 34.5 | Very low | 141 Ų | 141 | 152.6 Ų | 152.6 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 37.4 | 121.3 | 142.6 | -55.6 | -63.2 | 0 | 0 | 0 | 121.3 | ||||
| 95 | W | 29.5 | Very low | 33.4 | Very low | 254 Ų | 254 | 156.6 Ų | 156.6 | 96% | 0.962 | 81% | 0.809 | S | S | * | * | trans | -138.9 | 114 | 139.7 | -144.8 | -24.9 | 0 | 0 | 0 | 110.6 | ||||
| 96 | K | 34.7 | Very low | 33.3 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -82.3 | 143.5 | 168 | -73.9 | -174.7 | 176.6 | -177.1 | 0 | 110.3 | ||||
| 97 | P | 38.7 | Very low | 33.2 | Very low | 130 Ų | 130 | 160 Ų | 160 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -72.5 | 146.1 | 176.1 | 31.3 | -34.9 | 0 | 0 | 0 | 111.2 | ||||
| 98 | S | 28.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 159.7 Ų | 159.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -125.3 | 121.8 | 169.1 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 99 | T | 43.7 | Very low | 32.4 | Very low | 134 Ų | 134 | 157.1 Ų | 157.1 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -108.8 | 147.3 | 154.6 | 63.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 100 | P | 42.3 | Very low | 31.6 | Very low | 103 Ų | 103 | 156.4 Ų | 156.4 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | -153.4 | 164 | 107.8 | 37.2 | -19.7 | 0 | 0 | 0 | 116.5 | |||||
| 101 | R | 32.9 | Very low | 31.4 | Very low | 249 Ų | 249 | 150.8 Ų | 150.8 | 94% | 0.94 | 79% | 0.787 | S | S | * | * | trans | 34.2 | 142.3 | 139.2 | -58.7 | 169.6 | 173.9 | 179.9 | -3.1 | 120.6 | ||||
| 102 | G | 26.4 | Very low | 31.6 | Very low | 72 Ų | 72 | 151.4 Ų | 151.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | 130.4 | 155.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 103 | R | 32.9 | Very low | 31.4 | Very low | 247 Ų | 247 | 155 Ų | 155 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | 74.3 | 106.5 | 151.4 | -164.1 | -171.7 | -157.2 | -133.6 | 7 | 121.6 | ||||
| 104 | K | 29.8 | Very low | 31.2 | Very low | 193 Ų | 193 | 151.6 Ų | 151.6 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | 177.2 | 137.7 | 135.5 | -95.3 | 163.4 | -177.3 | -174.8 | 0 | 108.2 | ||||
| 105 | K | 25.5 | Very low | 31 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | 50.8 | 131.5 | 80.5 | -72.1 | -157.6 | 172.8 | -161 | 0 | 112.8 | |||||
| 106 | S | 26.9 | Very low | 30.9 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | cis | -157 | -172.9 | 23.5 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 107 | E | 29.4 | Very low | 30.8 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 46.2 | 119.6 | 153.5 | -70.7 | 139.2 | 149.3 | 0 | 0 | 119.6 | ||||
| 108 | E | 25.8 | Very low | 30.2 | Very low | 179 Ų | 179 | 143 Ų | 143 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | 105.5 | 147.9 | 62.9 | -176.7 | 153.2 | 82.1 | 0 | 0 | 111.5 | |||||
| 109 | S | 24.1 | Very low | 30.4 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | 83.4 | 142 | 171.3 | -66.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 110 | D | 28.4 | Very low | 29.9 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | 55.3 | 99.1 | 157.6 | -69.5 | -76.6 | 0 | 0 | 0 | 122.5 | ||||
| 111 | S | 29.8 | Very low | 30.8 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | -65.5 | 165.6 | 124.8 | -67.2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 112 | P | 39.4 | Very low | 31.6 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | cis | -137.1 | -175.3 | 15.6 | 43.2 | -26.9 | 0 | 0 | 0 | 114.8 | ||||
| 113 | K | 27.4 | Very low | 31.8 | Very low | 206 Ų | 206 | 148.5 Ų | 148.5 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -145.9 | 114.7 | 140.7 | -146.5 | 160 | -170.7 | 168 | 0 | 112.9 | ||||
| 114 | G | 25.3 | Very low | 31.8 | Very low | 49 Ų | 49 | 147.3 Ų | 147.3 | 51% | 0.505 | 78% | 0.779 | S | S | . | * | trans | -69.3 | 178.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 115 | Q | 29.2 | Very low | 32 | Very low | 201 Ų | 201 | 144.1 Ų | 144.1 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | 54.1 | 135.2 | 87.3 | -59.6 | 179.5 | -35.7 | 0 | 0 | 112.7 | |||||
| 116 | S | 28 | Very low | 32.2 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | cis | -156.4 | -171.6 | 3.4 | 54.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 117 | D | 32.3 | Very low | 32.5 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | cis | -149.3 | 164.9 | 9.3 | 178.3 | 46.4 | 0 | 0 | 0 | 111.2 | R119 | D117-R119 PolarHBondContact O-N 2.81Š| ||
| 118 | G | 27.6 | Very low | 32.6 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -88.6 | 61.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 119 | R | 32.2 | Very low | 33.2 | Very low | 231 Ų | 231 | 138.4 Ų | 138.4 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -154.8 | 144.5 | 159.6 | -109.2 | 159.3 | -169.5 | -95.4 | 0.6 | 112.5 | D117 | D117-R119 PolarHBondContact O-N 2.81Š| ||
| 120 | S | 31.8 | Very low | 34 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -110.6 | -176.5 | -166.1 | -20 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 121 | P | 61 | Low | 34.3 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -125.2 | -148 | -37.1 | 34 | -11.6 | 0 | 0 | 0 | 108.4 | ||||
| 122 | P | 50.5 | Low | 34.7 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | cis | -145.2 | -175.2 | -4.3 | 45.5 | -26.1 | 0 | 0 | 0 | 118.8 | ||||
| 123 | R | 31.2 | Very low | 34.4 | Very low | 223 Ų | 223 | 142 Ų | 142 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | 96.5 | 124.2 | 148.8 | -72.2 | 168.4 | -169.7 | -82.1 | -2.5 | 122.2 | ||||
| 124 | R | 32 | Very low | 34.8 | Very low | 223 Ų | 223 | 137.7 Ų | 137.7 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | 82.4 | 117.9 | 137.9 | -97.6 | -169.9 | 169.9 | -158.6 | -3.4 | 122.4 | ||||
| 125 | T | 34 | Very low | 35.1 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | 37.1 | 133.5 | 128.8 | 57.5 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 126 | G | 30.1 | Very low | 35.5 | Very low | 72 Ų | 72 | 138.4 Ų | 138.4 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | cis | 140.8 | 168.9 | -3.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 127 | S | 34.2 | Very low | 36.3 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | trans | 73.7 | 146 | 162.1 | -157.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 128 | G | 30.7 | Very low | 36.6 | Very low | 66 Ų | 66 | 138.8 Ų | 138.8 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 105 | 118.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 129 | R | 38.8 | Very low | 37.2 | Very low | 242 Ų | 242 | 143.3 Ų | 143.3 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | cis | 90.5 | 146.5 | 37.8 | -77.8 | -161.7 | 176.4 | -124.9 | 4 | 115.2 | ||||
| 130 | V | 39.3 | Very low | 38.2 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 93% | 0.933 | 80% | 0.804 | S | S | * | * | trans | 72.3 | 147.8 | 175.9 | -41.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 131 | G | 35.3 | Very low | 38.6 | Very low | 70 Ų | 70 | 140 Ų | 140 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | cis | 165.9 | 147.4 | -14.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 132 | R | 39.6 | Very low | 37.6 | Very low | 256 Ų | 256 | 143.2 Ų | 143.2 | 97% | 0.966 | 81% | 0.812 | S | S | * | * | trans | 24.7 | 117.6 | 159.7 | -56.2 | 176.9 | -177.5 | -110.9 | 4.8 | 118.2 | ||||
| 133 | G | 32.1 | Very low | 37.1 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | 108.1 | 175.1 | 63.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 134 | A | 35.4 | Very low | 37.3 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 95% | 0.95 | 82% | 0.815 | S | S | * | * | trans | 79.7 | 148.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 135 | G | 32.3 | Very low | 38.1 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 123.1 | 91.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 136 | R | 37.4 | Very low | 38.8 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | -122.1 | 135.4 | 154.4 | 175.5 | -172.9 | -172.9 | -115 | 6.9 | 108.3 | E138 | R136-E138 IonicContact CZ-OE1 2.73Å; R136-E138 IonicContact CZ-OE2 2.97Å; R136-E138 IonicContact NH1-OE1 3.51Å; R136-E138 IonicContact NH1-OE2 2.72Å; R136-E138 PolarHBondContact NH1-OE2 3.29Å; R136-E138 IonicContact NH2-OE1 2.7Å; R136-E138 PolarHBondContact NH2-OE1 2.89Å; R136-E138 IonicContact NH2-OE2 3.43Å; R136-E138 PolarHBondContact NH2-OE2 3.12Å | ||
| 137 | P | 43.8 | Very low | 39.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -117.2 | 172.3 | 144.3 | 36.1 | -28.3 | 0 | 0 | 0 | 111.5 | ||||
| 138 | E | 39.7 | Very low | 40.2 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 62% | 0.617 | 81% | 0.812 | S | S | * | * | trans | -141.5 | 137.9 | -171.7 | 166.6 | 167.8 | -123.7 | 0 | 0 | 109 | R136 | R136-E138 IonicContact CZ-OE1 2.73Å; R136-E138 IonicContact CZ-OE2 2.97Å; R136-E138 IonicContact NH1-OE1 3.51Å; R136-E138 IonicContact NH1-OE2 2.72Å; R136-E138 PolarHBondContact NH1-OE2 3.29Å; R136-E138 IonicContact NH2-OE1 2.7Å; R136-E138 PolarHBondContact NH2-OE1 2.89Å; R136-E138 IonicContact NH2-OE2 3.43Å; R136-E138 PolarHBondContact NH2-OE2 3.12Å | ||
| 139 | L | 39.9 | Very low | 41.5 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -155.8 | 156.2 | 150 | -90.3 | -174.1 | 0 | 0 | 0 | 108.7 | ||||
| 140 | P | 54.1 | Low | 42.8 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | -95.2 | 168.6 | -173.9 | 38.7 | -35.2 | 0 | 0 | 0 | 113 | ||||
| 141 | D | 38.8 | Very low | 44.2 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -147.5 | 167.1 | 157.2 | -162.2 | 19.2 | 0 | 0 | 0 | 111.6 | ||||
| 142 | E | 39.6 | Very low | 45.7 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -74 | 168.2 | -157.9 | -140.9 | 162.2 | 106.7 | 0 | 0 | 116.4 | ||||
| 143 | G | 39.8 | Very low | 47.3 | Very low | 64 Ų | 64 | 125 Ų | 125 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | trans | -93.4 | 161.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 144 | T | 36.9 | Very low | 49.5 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -128.1 | 114 | 170 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 145 | P | 48.3 | Very low | 51.3 | Low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | trans | -94.8 | 146.2 | -177.3 | 35.2 | -33.3 | 0 | 0 | 0 | 113.6 | ||||
| 146 | G | 49.3 | Very low | 53.4 | Low | 81 Ų | 81 | 132.2 Ų | 132.2 | 84% | 0.835 | 71% | 0.713 | S | S | * | * | trans | 88.8 | 132.2 | 162 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 147 | G | 43.7 | Very low | 55.4 | Low | 74 Ų | 74 | 129.2 Ų | 129.2 | 76% | 0.763 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 153.5 | -54.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 148 | L | 49.9 | Very low | 57.3 | Low | 162 Ų | 162 | 130.7 Ų | 130.7 | 85% | 0.848 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -106.6 | 1.1 | -168.6 | -60.4 | 175.6 | 0 | 0 | 0 | 114.6 | S152 | L148-S152 PolarHBondContact O-OG 3.46Š|
| 149 | D | 56.9 | Low | 59.2 | Low | 79 Ų | 79 | 131.9 Ų | 131.9 | 42% | 0.422 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -93.2 | -20 | -161.8 | -176.7 | 50.7 | 0 | 0 | 0 | 115.1 | S152 K153 | D149-S152 PolarHBondContact O-N 3.2Å; D149-K153 WeakPolarHBondContact O-CB 3.09Å; D149-K153 WeakPolarHBondContact O-CG 3.44Å; D149-K153 PolarHBondContact O-N 2.89Å; D149-K153 WeakPolarHBondContact OD2-CD 3.38Å; D149-K153 WeakPolarHBondContact OD2-CE 3.35Å; D149-K153 IonicContact OD2-NZ 2.65Å; D149-K153 PolarHBondContact OD2-NZ 3.08Å |
| 150 | R | 66.8 | Low | 61.2 | Low | 211 Ų | 211 | 132.4 Ų | 132.4 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -63.1 | -57.6 | -179.3 | -82.9 | -173.5 | 169.5 | 114.7 | -2.2 | 112.6 | S152 K153 E154 | R150-S152 PolarHBondContact O-N 3.26Å; R150-K153 PolarHBondContact O-N 3.03Å; R150-K153 VanDerWaalsContact O-N 3.14Å; R150-E154 WeakPolarHBondContact O-CG 3.31Å; R150-E154 PolarHBondContact O-N 3.24Å |
| 151 | K | 68.6 | Low | 62.7 | Low | 166 Ų | 166 | 132.6 Ų | 132.6 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -63.6 | -30.2 | 178 | -64.1 | -175.6 | 178.7 | -176.8 | 0 | 112.7 | W155 | K151-W155 PolarHBondContact O-N 3.42Å |
| 152 | S | 66.7 | Low | 65.1 | Low | 69 Ų | 69 | 130.3 Ų | 130.3 | 48% | 0.483 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -68.6 | -43.2 | 173.9 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | L148 D149 R150 W155 E156 | L148-S152 PolarHBondContact O-OG 3.46Å; D149-S152 PolarHBondContact O-N 3.2Å; R150-S152 PolarHBondContact O-N 3.26Å; S152-W155 PolarHBondContact O-N 3.46Å; S152-E156 WeakPolarHBondContact O-CB 3.42Å; S152-E156 PolarHBondContact O-N 2.87Å |
| 153 | K | 73.4 | Confident | 67 | Low | 113 Ų | 113 | 125.1 Ų | 125.1 | 49% | 0.491 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64 | -44.7 | 171.5 | -81.6 | 172 | 171.5 | 161.4 | 0 | 112.3 | D149 R150 W155 E156 E157 | D149-K153 WeakPolarHBondContact O-CB 3.09Å; D149-K153 WeakPolarHBondContact O-CG 3.44Å; D149-K153 PolarHBondContact O-N 2.89Å; D149-K153 WeakPolarHBondContact OD2-CD 3.38Å; D149-K153 WeakPolarHBondContact OD2-CE 3.35Å; D149-K153 IonicContact OD2-NZ 2.65Å; D149-K153 PolarHBondContact OD2-NZ 3.08Å; R150-K153 PolarHBondContact O-N 3.03Å; R150-K153 VanDerWaalsContact O-N 3.14Å; K153-W155 PolarHBondContact O-N 3.06Å; K153-E156 PolarHBondContact O-N 2.89Å; K153-E156 VanDerWaalsContact O-N 3.16Å; K153-E157 WeakPolarHBondContact O-CB 3.43Å; K153-E157 PolarHBondContact O-N 3.45Å |
| 154 | E | 79 | Confident | 69.1 | Low | 110 Ų | 110 | 128 Ų | 128 | 51% | 0.514 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -55.3 | -39.1 | 173.7 | -69.3 | 154.6 | -145.7 | 0 | 0 | 111.4 | R150 K158 | R150-E154 WeakPolarHBondContact O-CG 3.31Å; R150-E154 PolarHBondContact O-N 3.24Å; E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 PolarHBondContact O-N 3.29Å |
| 155 | W | 73 | Confident | 71.5 | Confident | 198 Ų | 198 | 127.8 Ų | 127.8 | 75% | 0.75 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.9 | -40.1 | 176.1 | -127.4 | 86 | 0 | 0 | 0 | 113.3 | K151 S152 K153 R159 | K151-W155 PolarHBondContact O-N 3.42Å; S152-W155 PolarHBondContact O-N 3.46Å; K153-W155 PolarHBondContact O-N 3.06Å; W155-R159 VanDerWaalsContact O-CB 3.27Å; W155-R159 WeakPolarHBondContact O-CB 3.33Å; W155-R159 PolarHBondContact O-N 3.16Å |
| 156 | E | 75.3 | Confident | 73.1 | Confident | 115 Ų | 115 | 126.6 Ų | 126.6 | 54% | 0.537 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.3 | -34.8 | 178 | -173.3 | 166.3 | -126.8 | 0 | 0 | 112.2 | S152 K153 R159 R160 | S152-E156 WeakPolarHBondContact O-CB 3.42Å; S152-E156 PolarHBondContact O-N 2.87Å; K153-E156 PolarHBondContact O-N 2.89Å; K153-E156 VanDerWaalsContact O-N 3.16Å; E156-R159 WeakPolarHBondContact O-CB 3.21Å; E156-R159 PolarHBondContact O-N 3.3Å; E156-R160 WeakPolarHBondContact O-CG 3.49Å; E156-R160 PolarHBondContact O-N 2.65Å |
| 157 | E | 79.9 | Confident | 74.7 | Confident | 120 Ų | 120 | 126.4 Ų | 126.4 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.9 | -41.8 | 173.4 | -174.4 | 163.6 | -129.5 | 0 | 0 | 111.2 | K153 R159 R160 Q161 | K153-E157 WeakPolarHBondContact O-CB 3.43Å; K153-E157 PolarHBondContact O-N 3.45Å; E157-R159 VanDerWaalsContact C-N 3.29Å; E157-R159 PolarHBondContact O-N 2.73Å; E157-R160 CarbonylContact O-C 3.57Å; E157-R160 WeakPolarHBondContact O-CA 3.4Å; E157-R160 WeakPolarHBondContact O-CB 3.34Å; E157-R160 PolarHBondContact O-N 2.68Å; E157-R160 VanDerWaalsContact O-N 3.14Å; E157-Q161 PolarHBondContact O-N 3.25Å |
| 158 | K | 83.7 | Confident | 76.6 | Confident | 158 Ų | 158 | 127.2 Ų | 127.2 | 69% | 0.687 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.1 | -32 | 171.8 | -166.8 | 165.6 | -170.8 | 167.8 | 0 | 112.4 | E154 N162 | E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 PolarHBondContact O-N 3.29Å; K158-N162 VanDerWaalsContact O-CB 3.31Å; K158-N162 WeakPolarHBondContact O-CB 3.31Å; K158-N162 PolarHBondContact O-N 3.42Å |
| 159 | R | 79.6 | Confident | 77.9 | Confident | 157 Ų | 157 | 125 Ų | 125 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.3 | -40.8 | 169.1 | -176 | -176.8 | -179 | -150.3 | 1.5 | 111.6 | W155 E156 E157 N162 I163 | W155-R159 VanDerWaalsContact O-CB 3.27Å; W155-R159 WeakPolarHBondContact O-CB 3.33Å; W155-R159 PolarHBondContact O-N 3.16Å; E156-R159 WeakPolarHBondContact O-CB 3.21Å; E156-R159 PolarHBondContact O-N 3.3Å; E157-R159 VanDerWaalsContact C-N 3.29Å; E157-R159 PolarHBondContact O-N 2.73Å; R159-N162 PolarHBondContact O-N 3.14Å; R159-I163 HydrophobicContact CG-CD1 4.14Å; R159-I163 WeakPolarHBondContact O-CG1 3.27Å; R159-I163 PolarHBondContact O-N 2.87Å |
| 160 | R | 82.5 | Confident | 78.9 | Confident | 177 Ų | 177 | 126.7 Ų | 126.7 | 67% | 0.668 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.2 | -52.9 | 172.3 | -80.3 | 178.6 | 173.7 | -138.1 | -1.8 | 111.2 | E156 E157 N162 I163 E164 | E156-R160 WeakPolarHBondContact O-CG 3.49Å; E156-R160 PolarHBondContact O-N 2.65Å; E157-R160 CarbonylContact O-C 3.57Å; E157-R160 WeakPolarHBondContact O-CA 3.4Å; E157-R160 WeakPolarHBondContact O-CB 3.34Å; E157-R160 PolarHBondContact O-N 2.68Å; E157-R160 VanDerWaalsContact O-N 3.14Å; R160-N162 PolarHBondContact O-N 3.07Å; R160-I163 CarbonylContact O-C 3.36Å; R160-I163 PolarHBondContact O-N 2.83Å; R160-E164 WeakPolarHBondContact O-CB 3.46Å; R160-E164 PolarHBondContact O-N 3.4Å |
| 161 | Q | 85.4 | Confident | 79.3 | Confident | 117 Ų | 117 | 123 Ų | 123 | 55% | 0.547 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.8 | -30.5 | 177.7 | -73.8 | -172.7 | -5 | 0 | 0 | 113 | E157 K165 | E157-Q161 PolarHBondContact O-N 3.25Å; Q161-K165 WeakPolarHBondContact O-CB 3.5Å; Q161-K165 PolarHBondContact O-N 2.89Å |
| 162 | N | 89.1 | Confident | 79.7 | Confident | 115 Ų | 115 | 122.4 Ų | 122.4 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.5 | -43.6 | 172.6 | -176.8 | -109 | 0 | 0 | 0 | 112.3 | K158 R159 R160 M166 | K158-N162 VanDerWaalsContact O-CB 3.31Å; K158-N162 WeakPolarHBondContact O-CB 3.31Å; K158-N162 PolarHBondContact O-N 3.42Å; R159-N162 PolarHBondContact O-N 3.14Å; R160-N162 PolarHBondContact O-N 3.07Å; N162-M166 WeakPolarHBondContact O-CB 3.45Å; N162-M166 PolarHBondContact O-N 3.4Å |
| 163 | I | 78.7 | Confident | 79.8 | Confident | 75 Ų | 75 | 123.6 Ų | 123.6 | 39% | 0.385 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.3 | -40.4 | 174.9 | -67.1 | 164.7 | 0 | 0 | 0 | 111.2 | R159 R160 M166 N167 | R159-I163 HydrophobicContact CG-CD1 4.14Å; R159-I163 WeakPolarHBondContact O-CG1 3.27Å; R159-I163 PolarHBondContact O-N 2.87Å; R160-I163 CarbonylContact O-C 3.36Å; R160-I163 PolarHBondContact O-N 2.83Å; I163-M166 PolarHBondContact O-N 3.14Å; I163-N167 WeakPolarHBondContact O-CB 3.4Å; I163-N167 PolarHBondContact O-N 3.46Å; I163-N167 PolarHBondContact O-OD1 3.43Å |
| 164 | E | 83.8 | Confident | 79.5 | Confident | 123 Ų | 123 | 120.9 Ų | 120.9 | 58% | 0.575 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.4 | -46.6 | 179.2 | -174.8 | 167.8 | -132.8 | 0 | 0 | 110.7 | R160 M166 N167 E168 | R160-E164 WeakPolarHBondContact O-CB 3.46Å; R160-E164 PolarHBondContact O-N 3.4Å; E164-M166 VanDerWaalsContact C-N 3.34Å; E164-M166 PolarHBondContact O-N 2.73Å; E164-N167 CarbonylContact O-C 3.54Å; E164-N167 PolarHBondContact O-N 2.81Å; E164-E168 VanDerWaalsContact O-CB 3.31Å; E164-E168 WeakPolarHBondContact O-CB 3.32Å; E164-E168 PolarHBondContact O-N 3.19Å |
| 165 | K | 87.4 | Confident | 79.2 | Confident | 141 Ų | 141 | 121.9 Ų | 121.9 | 61% | 0.613 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.2 | -40.4 | 172.2 | -178.7 | 174.9 | 178.6 | 176.8 | 0 | 112.5 | Q161 E168 E169 | Q161-K165 WeakPolarHBondContact O-CB 3.5Å; Q161-K165 PolarHBondContact O-N 2.89Å; K165-E168 PolarHBondContact O-N 3.03Å; K165-E169 WeakPolarHBondContact O-CB 3.16Å; K165-E169 PolarHBondContact O-N 3.45Å |
| 166 | M | 83.2 | Confident | 78.8 | Confident | 97 Ų | 97 | 121 Ų | 121 | 48% | 0.478 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.3 | -40.7 | 174.9 | -176.4 | -155.1 | 73.1 | 0 | 0 | 111.3 | N162 I163 E164 E169 M170 | N162-M166 WeakPolarHBondContact O-CB 3.45Å; N162-M166 PolarHBondContact O-N 3.4Å; I163-M166 PolarHBondContact O-N 3.14Å; E164-M166 VanDerWaalsContact C-N 3.34Å; E164-M166 PolarHBondContact O-N 2.73Å; M166-E169 PolarHBondContact O-N 3.37Å; M166-M170 WeakPolarHBondContact O-CB 3.47Å; M166-M170 VanDerWaalsContact O-CG 3.27Å; M166-M170 WeakPolarHBondContact O-CG 3.5Å; M166-M170 PolarHBondContact O-N 3.37Å |
| 167 | N | 81 | Confident | 78.1 | Confident | 77 Ų | 77 | 120 Ų | 120 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.4 | -41.6 | 175.8 | -71.6 | -9.3 | 0 | 0 | 0 | 111.3 | I163 E164 E169 M170 E171 | I163-N167 WeakPolarHBondContact O-CB 3.4Å; I163-N167 PolarHBondContact O-N 3.46Å; I163-N167 PolarHBondContact O-OD1 3.43Å; E164-N167 CarbonylContact O-C 3.54Å; E164-N167 PolarHBondContact O-N 2.81Å; N167-E169 VanDerWaalsContact C-N 3.33Å; N167-E169 PolarHBondContact O-N 2.71Å; N167-M170 CarbonylContact O-C 3.55Å; N167-M170 PolarHBondContact O-N 2.77Å; N167-E171 WeakPolarHBondContact O-CB 3.42Å; N167-E171 WeakPolarHBondContact O-CG 3.35Å; N167-E171 PolarHBondContact O-N 3.06Å |
| 168 | E | 83.6 | Confident | 77.4 | Confident | 91 Ų | 91 | 123 Ų | 123 | 43% | 0.425 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -37.3 | 175.4 | -166.8 | -154.5 | 145.4 | 0 | 0 | 111.3 | E164 K165 R172 | E164-E168 VanDerWaalsContact O-CB 3.31Å; E164-E168 WeakPolarHBondContact O-CB 3.32Å; E164-E168 PolarHBondContact O-N 3.19Å; K165-E168 PolarHBondContact O-N 3.03Å; E168-R172 WeakPolarHBondContact O-CB 3.49Å; E168-R172 PolarHBondContact O-N 3.06Å; E168-R172 IonicContact OE1-CZ 2.67Å; E168-R172 IonicContact OE1-NH1 3.67Å; E168-R172 PolarHBondContact OE1-NH1 2.98Å; E168-R172 IonicContact OE1-NH2 2.7Å; E168-R172 PolarHBondContact OE1-NH2 2.94Å |
| 169 | E | 79.1 | Confident | 76 | Confident | 115 Ų | 115 | 118 Ų | 118 | 54% | 0.537 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.5 | -44.8 | 171.8 | -173.3 | 170.7 | -179.9 | 0 | 0 | 111.3 | K165 M166 N167 R172 I173 | K165-E169 WeakPolarHBondContact O-CB 3.16Å; K165-E169 PolarHBondContact O-N 3.45Å; M166-E169 PolarHBondContact O-N 3.37Å; N167-E169 VanDerWaalsContact C-N 3.33Å; N167-E169 PolarHBondContact O-N 2.71Å; E169-R172 PolarHBondContact O-N 2.99Å; E169-I173 HydrophobicContact CG-CD1 4.33Å; E169-I173 WeakPolarHBondContact O-CD1 3.34Å; E169-I173 VanDerWaalsContact O-CG1 3.25Å; E169-I173 WeakPolarHBondContact O-CG1 3.47Å; E169-I173 PolarHBondContact O-N 3.09Å |
| 170 | M | 77.6 | Confident | 74.6 | Confident | 116 Ų | 116 | 115.9 Ų | 115.9 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.8 | -37.9 | 175.3 | -72.6 | -63.2 | -57.4 | 0 | 0 | 113.2 | M166 N167 I173 A174 | M166-M170 WeakPolarHBondContact O-CB 3.47Å; M166-M170 VanDerWaalsContact O-CG 3.27Å; M166-M170 WeakPolarHBondContact O-CG 3.5Å; M166-M170 PolarHBondContact O-N 3.37Å; N167-M170 CarbonylContact O-C 3.55Å; N167-M170 PolarHBondContact O-N 2.77Å; M170-I173 PolarHBondContact O-N 2.83Å; M170-A174 WeakPolarHBondContact O-CB 3.49Å; M170-A174 PolarHBondContact O-N 3.19Å |
| 171 | E | 74.1 | Confident | 72.7 | Confident | 132 Ų | 132 | 113.1 Ų | 113.1 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.5 | -40.7 | 175.7 | -75.2 | -174 | 155 | 0 | 0 | 110.9 | N167 I173 A174 E175 | N167-E171 WeakPolarHBondContact O-CB 3.42Å; N167-E171 WeakPolarHBondContact O-CG 3.35Å; N167-E171 PolarHBondContact O-N 3.06Å; E171-I173 VanDerWaalsContact C-N 3.29Å; E171-I173 PolarHBondContact O-N 3.1Å; E171-A174 CarbonylContact O-C 3.56Å; E171-A174 PolarHBondContact O-N 2.76Å; E171-A174 VanDerWaalsContact O-N 3.08Å; E171-E175 WeakPolarHBondContact O-CB 3.1Å; E171-E175 WeakPolarHBondContact O-CG 3.35Å; E171-E175 PolarHBondContact O-N 2.79Å |
| 172 | R | 78.3 | Confident | 70.9 | Confident | 154 Ų | 154 | 113.8 Ų | 113.8 | 58% | 0.581 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61 | -36.3 | 172.8 | -176.9 | 171.1 | -73.8 | 116.7 | -1.2 | 112.3 | E168 E169 Y176 | E168-R172 WeakPolarHBondContact O-CB 3.49Å; E168-R172 PolarHBondContact O-N 3.06Å; E168-R172 IonicContact OE1-CZ 2.67Å; E168-R172 IonicContact OE1-NH1 3.67Å; E168-R172 PolarHBondContact OE1-NH1 2.98Å; E168-R172 IonicContact OE1-NH2 2.7Å; E168-R172 PolarHBondContact OE1-NH2 2.94Å; E169-R172 PolarHBondContact O-N 2.99Å; R172-Y176 WeakPolarHBondContact O-CB 3.36Å; R172-Y176 PolarHBondContact O-N 2.8Å |
| 173 | I | 68.8 | Low | 68.8 | Low | 95 Ų | 95 | 113.4 Ų | 113.4 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.9 | -45.7 | 170.5 | -69.1 | 163 | 0 | 0 | 0 | 110.9 | E169 M170 E171 Y176 E177 | E169-I173 HydrophobicContact CG-CD1 4.33Å; E169-I173 WeakPolarHBondContact O-CD1 3.34Å; E169-I173 VanDerWaalsContact O-CG1 3.25Å; E169-I173 WeakPolarHBondContact O-CG1 3.47Å; E169-I173 PolarHBondContact O-N 3.09Å; M170-I173 PolarHBondContact O-N 2.83Å; E171-I173 VanDerWaalsContact C-N 3.29Å; E171-I173 PolarHBondContact O-N 3.1Å; I173-Y176 PolarHBondContact O-N 3.41Å; I173-E177 PolarHBondContact O-N 2.88Å |
| 174 | A | 65.9 | Low | 67.6 | Low | 55 Ų | 55 | 112.5 Ų | 112.5 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -38.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M170 E171 E177 R178 | M170-A174 WeakPolarHBondContact O-CB 3.49Å; M170-A174 PolarHBondContact O-N 3.19Å; E171-A174 CarbonylContact O-C 3.56Å; E171-A174 PolarHBondContact O-N 2.76Å; E171-A174 VanDerWaalsContact O-N 3.08Å; A174-E177 PolarHBondContact O-N 3.46Å; A174-R178 VanDerWaalsContact O-CB 3.29Å; A174-R178 WeakPolarHBondContact O-CB 3.46Å; A174-R178 PolarHBondContact O-N 3.47Å |
| 175 | E | 72.8 | Confident | 65.9 | Low | 132 Ų | 132 | 111.8 Ų | 111.8 | 62% | 0.617 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.6 | -37.2 | 175 | -69.9 | -161.2 | 129.1 | 0 | 0 | 112.1 | E171 R178 G179 | E171-E175 WeakPolarHBondContact O-CB 3.1Å; E171-E175 WeakPolarHBondContact O-CG 3.35Å; E171-E175 PolarHBondContact O-N 2.79Å; E175-R178 WeakPolarHBondContact O-CB 3.41Å; E175-R178 PolarHBondContact O-N 2.98Å; E175-G179 PolarHBondContact O-N 3.2Å |
| 176 | Y | 65.4 | Low | 64.1 | Low | 179 Ų | 179 | 108.2 Ų | 108.2 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61 | -43.3 | 172.1 | -172.6 | -96.7 | 0 | 0 | 0 | 111.9 | R172 I173 G179 Q180 | R172-Y176 WeakPolarHBondContact O-CB 3.36Å; R172-Y176 PolarHBondContact O-N 2.8Å; I173-Y176 PolarHBondContact O-N 3.41Å; Y176-G179 PolarHBondContact O-N 2.91Å; Y176-Q180 PolarHBondContact O-N 3.46Å |
| 177 | E | 60.1 | Low | 62.5 | Low | 95 Ų | 95 | 111.2 Ų | 111.2 | 44% | 0.444 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.4 | -38.8 | 173.7 | -163.1 | -174.6 | 155.9 | 0 | 0 | 112 | I173 A174 G179 Q180 R181 | I173-E177 PolarHBondContact O-N 2.88Å; A174-E177 PolarHBondContact O-N 3.46Å; E177-G179 VanDerWaalsContact C-N 3.32Å; E177-G179 PolarHBondContact O-N 2.86Å; E177-Q180 WeakPolarHBondContact O-CB 3.5Å; E177-Q180 PolarHBondContact O-N 2.87Å; E177-Q180 VanDerWaalsContact O-N 3.16Å; E177-R181 HydrophobicContact CG-CG 4.49Å; E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.36Å; E177-R181 VanDerWaalsContact O-N 3.07Å; E177-R181 IonicContact OE1-CZ 3.12Å; E177-R181 IonicContact OE1-NE 3.67Å; E177-R181 PolarHBondContact OE1-NE 2.61Å; E177-R181 IonicContact OE1-NH2 3.58Å; E177-R181 PolarHBondContact OE1-NH2 2.96Å |
| 178 | R | 65.6 | Low | 61.1 | Low | 182 Ų | 182 | 115.1 Ų | 115.1 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.8 | -39 | 177.5 | -158.9 | -179.8 | -152.5 | 164.6 | 6.7 | 112.1 | A174 E175 | A174-R178 VanDerWaalsContact O-CB 3.29Å; A174-R178 WeakPolarHBondContact O-CB 3.46Å; A174-R178 PolarHBondContact O-N 3.47Å; E175-R178 WeakPolarHBondContact O-CB 3.41Å; E175-R178 PolarHBondContact O-N 2.98Å |
| 179 | G | 54.8 | Low | 60.1 | Low | 54 Ų | 54 | 116.4 Ų | 116.4 | 56% | 0.557 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.2 | -35 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E175 Y176 E177 | E175-G179 PolarHBondContact O-N 3.2Å; Y176-G179 PolarHBondContact O-N 2.91Å; E177-G179 VanDerWaalsContact C-N 3.32Å; E177-G179 PolarHBondContact O-N 2.86Å |
| 180 | Q | 48.6 | Very low | 59.2 | Low | 112 Ų | 112 | 118.5 Ų | 118.5 | 52% | 0.523 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68 | -42.7 | 174.7 | -77.2 | -78.6 | -41.8 | 0 | 0 | 112.8 | Y176 E177 V182 S183 | Y176-Q180 PolarHBondContact O-N 3.46Å; E177-Q180 WeakPolarHBondContact O-CB 3.5Å; E177-Q180 PolarHBondContact O-N 2.87Å; E177-Q180 VanDerWaalsContact O-N 3.16Å; Q180-V182 PolarHBondContact O-N 3.49Å; Q180-S183 PolarHBondContact O-N 3.37Å |
| 181 | R | 44.3 | Very low | 58.5 | Low | 118 Ų | 118 | 118.9 Ų | 118.9 | 45% | 0.445 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.5 | -38.8 | -167.8 | -76.7 | -174.9 | 172.2 | -72 | -4.5 | 115.4 | E177 S183 V184 D185 | E177-R181 HydrophobicContact CG-CG 4.49Å; E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.36Å; E177-R181 VanDerWaalsContact O-N 3.07Å; E177-R181 IonicContact OE1-CZ 3.12Å; E177-R181 IonicContact OE1-NE 3.67Å; E177-R181 PolarHBondContact OE1-NE 2.61Å; E177-R181 IonicContact OE1-NH2 3.58Å; E177-R181 PolarHBondContact OE1-NH2 2.96Å; R181-S183 PolarHBondContact O-N 2.95Å; R181-S183 VanDerWaalsContact O-N 3.07Å; R181-V184 PolarHBondContact O-N 3.38Å; R181-V184 VanDerWaalsContact O-N 3.08Å; R181-D185 WeakPolarHBondContact CB-OD2 3.12Å; R181-D185 VanDerWaalsContact CG-OD2 3.31Å; R181-D185 WeakPolarHBondContact CG-OD2 3.33Å; R181-D185 IonicContact CZ-OD2 2.7Å; R181-D185 IonicContact NH1-OD1 3.18Å; R181-D185 IonicContact NH1-OD2 2.65Å; R181-D185 PolarHBondContact NH1-OD2 2.75Å; R181-D185 PolarHBondContact O-N 3.4Å; R181-D185 VanDerWaalsContact O-N 3.13Å |
| 182 | V | 47.1 | Very low | 58.3 | Low | 132 Ų | 132 | 117 Ų | 117 | 80% | 0.8 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -26.2 | -177.8 | 178.5 | 0 | 0 | 0 | 0 | 112.5 | Q180 | Q180-V182 PolarHBondContact O-N 3.49Š|
| 183 | S | 45.4 | Very low | 57.2 | Low | 106 Ų | 106 | 118 Ų | 118 | 74% | 0.741 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -3 | -177.9 | -59.2 | 0 | 0 | 0 | 0 | 114.7 | Q180 R181 | Q180-S183 PolarHBondContact O-N 3.37Å; R181-S183 PolarHBondContact O-N 2.95Å; R181-S183 VanDerWaalsContact O-N 3.07Å |
| 184 | V | 52.9 | Low | 56.8 | Low | 56 Ų | 56 | 119.9 Ų | 119.9 | 34% | 0.339 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -135.4 | -28 | -166.7 | -176.6 | 0 | 0 | 0 | 0 | 115.2 | R181 G186 K188 | R181-V184 PolarHBondContact O-N 3.38Å; R181-V184 VanDerWaalsContact O-N 3.08Å; V184-G186 PolarHBondContact O-N 3.13Å; V184-K188 HydrophobicContact CG1-CD 4.29Å |
| 185 | D | 48.2 | Very low | 56.6 | Low | 109 Ų | 109 | 122.2 Ų | 122.2 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -80.2 | 41.9 | -173.7 | -71.7 | -22.9 | 0 | 0 | 0 | 113.8 | R181 | R181-D185 WeakPolarHBondContact CB-OD2 3.12Å; R181-D185 VanDerWaalsContact CG-OD2 3.31Å; R181-D185 WeakPolarHBondContact CG-OD2 3.33Å; R181-D185 IonicContact CZ-OD2 2.7Å; R181-D185 IonicContact NH1-OD1 3.18Å; R181-D185 IonicContact NH1-OD2 2.65Å; R181-D185 PolarHBondContact NH1-OD2 2.75Å; R181-D185 PolarHBondContact O-N 3.4Å; R181-D185 VanDerWaalsContact O-N 3.13Å |
| 186 | G | 49.4 | Very low | 56.5 | Low | 66 Ų | 66 | 116.9 Ų | 116.9 | 68% | 0.68 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -104.4 | -72.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V184 | V184-G186 PolarHBondContact O-N 3.13Š|
| 187 | D | 49.1 | Very low | 56.5 | Low | 159 Ų | 159 | 113.2 Ų | 113.2 | 85% | 0.85 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -126 | 71.4 | -167.9 | -88.7 | -57.9 | 0 | 0 | 0 | 113.1 | ||
| 188 | K | 52.2 | Low | 56.7 | Low | 160 Ų | 160 | 118.2 Ų | 118.2 | 70% | 0.696 | 62% | 0.619 | S | S | * | * | trans | -137.8 | 84.7 | 174.2 | -67.2 | -176.2 | -175.7 | 175.7 | 0 | 111.9 | V184 I190 | V184-K188 HydrophobicContact CG1-CD 4.29Å; K188-I190 PolarHBondContact O-N 3.37Å | ||
| 189 | P | 63.4 | Low | 56.6 | Low | 118 Ų | 118 | 118 Ų | 118 | 77% | 0.766 | 62% | 0.618 | S | S | * | * | trans | -57.9 | 139.4 | 167 | 26.2 | -34.3 | 0 | 0 | 0 | 109.5 | R191 | P189-R191 PolarHBondContact O-N 3.02Š| ||
| 190 | I | 60 | Low | 56.9 | Low | 159 Ų | 159 | 119.1 Ų | 119.1 | 82% | 0.815 | 62% | 0.617 | S | S | * | * | trans | -64.1 | 94.2 | -173.8 | -57.9 | 173.8 | 0 | 0 | 0 | 109.3 | K188 N192 | K188-I190 PolarHBondContact O-N 3.37Å; I190-N192 PolarHBondContact O-N 3.25Å; I190-N192 VanDerWaalsContact O-N 3.09Å | ||
| 191 | R | 61.6 | Low | 57.2 | Low | 123 Ų | 123 | 116 Ų | 116 | 46% | 0.464 | 62% | 0.615 | S | S | . | * | trans | -78.6 | 98 | -174.5 | -164.4 | 179.8 | 88.7 | 121.2 | 2.6 | 109.9 | P189 F193 D196 | P189-R191 PolarHBondContact O-N 3.02Å; R191-F193 PolarHBondContact O-N 3.44Å; R191-D196 IonicContact CZ-OD1 2.76Å; R191-D196 IonicContact CZ-OD2 2.71Å; R191-D196 IonicContact NH1-OD1 2.78Å; R191-D196 PolarHBondContact NH1-OD1 2.74Å; R191-D196 IonicContact NH1-OD2 3.82Å; R191-D196 PolarHBondContact NH1-OD2 2.85Å; R191-D196 IonicContact NH2-OD1 3.79Å; R191-D196 IonicContact NH2-OD2 2.77Å; R191-D196 PolarHBondContact NH2-OD2 3.01Å | ||
| 192 | N | 69.5 | Low | 58.2 | Low | 93 Ų | 93 | 116.6 Ų | 116.6 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | trans | -48.6 | 131 | 172.9 | -58.8 | -43.5 | 0 | 0 | 0 | 110.2 | I190 L194 D195 | I190-N192 PolarHBondContact O-N 3.25Å; I190-N192 VanDerWaalsContact O-N 3.09Å; N192-L194 PolarHBondContact O-N 3.05Å; N192-D195 HydrophobicContact CB-CB 4.27Å; N192-D195 VanDerWaalsContact CB-OD2 3.31Å; N192-D195 WeakPolarHBondContact CB-OD2 3.42Å; N192-D195 PolarHBondContact ND2-OD2 2.78Å; N192-D195 PolarHBondContact O-N 3.21Å | ||
| 193 | F | 56.8 | Low | 58.5 | Low | 176 Ų | 176 | 114.6 Ų | 114.6 | 77% | 0.772 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -3.9 | 179.7 | -83 | -101.7 | 0 | 0 | 0 | 114.1 | R191 R199 | R191-F193 PolarHBondContact O-N 3.44Å; F193-R199 WeakPolarHBondContact O-CD 3.41Å |
| 194 | L | 59.8 | Low | 58.9 | Low | 133 Ų | 133 | 115.4 Ų | 115.4 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -26.3 | 170.3 | -74.5 | 82.6 | 0 | 0 | 0 | 112.8 | N192 D196 | N192-L194 PolarHBondContact O-N 3.05Å; L194-D196 PolarHBondContact O-N 2.88Å |
| 195 | D | 61.5 | Low | 58.5 | Low | 104 Ų | 104 | 119.6 Ų | 119.6 | 56% | 0.556 | 66% | 0.655 | S | S | * | * | trans | -87.5 | 27.4 | -178.9 | -65.3 | -42.7 | 0 | 0 | 0 | 112.6 | N192 P197 | N192-D195 HydrophobicContact CB-CB 4.27Å; N192-D195 VanDerWaalsContact CB-OD2 3.31Å; N192-D195 WeakPolarHBondContact CB-OD2 3.42Å; N192-D195 PolarHBondContact ND2-OD2 2.78Å; N192-D195 PolarHBondContact O-N 3.21Å; D195-P197 WeakPolarHBondContact O-CD 3.25Å | ||
| 196 | D | 71.7 | Confident | 58.6 | Low | 21 Ų | 21 | 122 Ų | 122 | 11% | 0.112 | 67% | 0.666 | C | S | . | * | trans | -87.6 | 114.6 | 171.1 | -168.5 | -0.7 | 0 | 0 | 0 | 110.2 | R191 L194 R198 R199 S200 | R191-D196 IonicContact CZ-OD1 2.76Å; R191-D196 IonicContact CZ-OD2 2.71Å; R191-D196 IonicContact NH1-OD1 2.78Å; R191-D196 PolarHBondContact NH1-OD1 2.74Å; R191-D196 IonicContact NH1-OD2 3.82Å; R191-D196 PolarHBondContact NH1-OD2 2.85Å; R191-D196 IonicContact NH2-OD1 3.79Å; R191-D196 IonicContact NH2-OD2 2.77Å; R191-D196 PolarHBondContact NH2-OD2 3.01Å; L194-D196 PolarHBondContact O-N 2.88Å; D196-R198 PolarHBondContact O-N 3.48Å; D196-R198 WeakPolarHBondContact OD1-CG 3.31Å; D196-R198 IonicContact OD1-CZ 2.86Å; D196-R198 PolarHBondContact OD1-N 3.47Å; D196-R198 IonicContact OD1-NH1 2.69Å; D196-R198 PolarHBondContact OD1-NH1 2.77Å; D196-R198 VanDerWaalsContact OD1-NH1 3.1Å; D196-R198 IonicContact OD2-CZ 2.79Å; D196-R198 IonicContact OD2-NH1 3.53Å; D196-R198 PolarHBondContact OD2-NH1 3.08Å; D196-R199 HydrophobicContact CB-CB 3.94Å; D196-R199 WeakPolarHBondContact O-CA 3.38Å; D196-R199 WeakPolarHBondContact O-CB 3.44Å; D196-R199 PolarHBondContact O-N 2.9Å; D196-S200 PolarHBondContact O-N 3.37Å; D196-S200 PolarHBondContact O-OG 2.9Å; D196-S200 VanDerWaalsContact O-OG 3.09Å | ||
| 197 | P | 65 | Low | 58.7 | Low | 102 Ų | 102 | 124.5 Ų | 124.5 | 66% | 0.662 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -10.6 | 177.1 | -21.8 | 34.9 | 0 | 0 | 0 | 114 | D195 | D195-P197 WeakPolarHBondContact O-CD 3.25Š|
| 198 | R | 63.7 | Low | 59 | Low | 200 Ų | 200 | 126.7 Ų | 126.7 | 76% | 0.755 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -14.3 | 171.4 | -49 | -178.2 | -148.5 | 101.5 | -11.4 | 113.2 | D196 | D196-R198 PolarHBondContact O-N 3.48Å; D196-R198 WeakPolarHBondContact OD1-CG 3.31Å; D196-R198 IonicContact OD1-CZ 2.86Å; D196-R198 PolarHBondContact OD1-N 3.47Å; D196-R198 IonicContact OD1-NH1 2.69Å; D196-R198 PolarHBondContact OD1-NH1 2.77Å; D196-R198 VanDerWaalsContact OD1-NH1 3.1Å; D196-R198 IonicContact OD2-CZ 2.79Å; D196-R198 IonicContact OD2-NH1 3.53Å; D196-R198 PolarHBondContact OD2-NH1 3.08Å |
| 199 | R | 63.1 | Low | 59 | Low | 177 Ų | 177 | 128.6 Ų | 128.6 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -35.4 | -176.9 | -166.6 | 174 | -176.8 | -92.9 | -2.8 | 111.6 | F193 D196 G201 | F193-R199 WeakPolarHBondContact O-CD 3.41Å; D196-R199 HydrophobicContact CB-CB 3.94Å; D196-R199 WeakPolarHBondContact O-CA 3.38Å; D196-R199 WeakPolarHBondContact O-CB 3.44Å; D196-R199 PolarHBondContact O-N 2.9Å; R199-G201 PolarHBondContact O-N 3.49Å |
| 200 | S | 61.1 | Low | 58.5 | Low | 77 Ų | 77 | 131.5 Ų | 131.5 | 54% | 0.538 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -75.3 | 75.3 | 155.1 | 42.7 | 0 | 0 | 0 | 0 | 109.4 | D196 | D196-S200 PolarHBondContact O-N 3.37Å; D196-S200 PolarHBondContact O-OG 2.9Å; D196-S200 VanDerWaalsContact O-OG 3.09Å |
| 201 | G | 55.5 | Low | 58.2 | Low | 46 Ų | 46 | 127 Ų | 127 | 47% | 0.474 | 67% | 0.665 | S | S | . | * | trans | -56.9 | 166.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R199 A203 | R199-G201 PolarHBondContact O-N 3.49Å; G201-A203 PolarHBondContact O-N 2.97Å | ||
| 202 | P | 66.1 | Low | 58.2 | Low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -45.6 | 127.2 | -176.6 | -29.1 | 35.3 | 0 | 0 | 0 | 111.4 | ||
| 203 | A | 51.6 | Low | 57.7 | Low | 90 Ų | 90 | 129.1 Ų | 129.1 | 74% | 0.744 | 67% | 0.673 | S | S | * | * | trans | -51.8 | 130.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G201 D205 | G201-A203 PolarHBondContact O-N 2.97Å; A203-D205 PolarHBondContact O-N 3.21Å | ||
| 204 | P | 54.6 | Low | 57.8 | Low | 123 Ų | 123 | 125.1 Ų | 125.1 | 80% | 0.799 | 65% | 0.653 | S | S | * | * | trans | -65.6 | 104.9 | -169.3 | 25.6 | -34.1 | 0 | 0 | 0 | 109.4 | ||||
| 205 | D | 44.2 | Very low | 57.7 | Low | 144 Ų | 144 | 124.7 Ų | 124.7 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | trans | -59.1 | 150.8 | 176.8 | -151.5 | -19.6 | 0 | 0 | 0 | 109.7 | A203 D207 | A203-D205 PolarHBondContact O-N 3.21Å; D205-D207 PolarHBondContact O-N 3.45Å | ||
| 206 | I | 50.9 | Low | 57.5 | Low | 160 Ų | 160 | 123.7 Ų | 123.7 | 82% | 0.821 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -75.9 | -8.6 | -151.7 | -20.8 | -179.1 | 0 | 0 | 0 | 112.8 | R208 | I206-R208 PolarHBondContact O-N 2.86Å; I206-R208 VanDerWaalsContact O-N 3.13Å |
| 207 | D | 52.5 | Low | 56.9 | Low | 117 Ų | 117 | 133.4 Ų | 133.4 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | trans | -77.3 | 102.1 | -177.1 | -157.6 | -21.9 | 0 | 0 | 0 | 112.6 | D205 K209 | D205-D207 PolarHBondContact O-N 3.45Å; D207-K209 WeakPolarHBondContact OD1-CB 3.5Å; D207-K209 PolarHBondContact OD1-N 2.78Å | ||
| 208 | R | 54.8 | Low | 56.5 | Low | 206 Ų | 206 | 133.9 Ų | 133.9 | 78% | 0.777 | 68% | 0.676 | S | S | * | * | trans | -100.5 | 15.7 | 179 | -142.4 | -175.9 | -161.2 | 91.3 | -10.8 | 112.6 | I206 | I206-R208 PolarHBondContact O-N 2.86Å; I206-R208 VanDerWaalsContact O-N 3.13Å | ||
| 209 | K | 52.2 | Low | 56.2 | Low | 200 Ų | 200 | 132.7 Ų | 132.7 | 87% | 0.87 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -116.1 | -15.1 | -166.7 | -77.6 | 179.9 | 173.1 | 175.8 | 0 | 116.7 | D207 | D207-K209 WeakPolarHBondContact OD1-CB 3.5Å; D207-K209 PolarHBondContact OD1-N 2.78Å |
| 210 | E | 52.3 | Low | 56.2 | Low | 178 Ų | 178 | 125.5 Ų | 125.5 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -129.8 | 137 | -179.6 | -159 | 153.3 | -125.5 | 0 | 0 | 112 | ||
| 211 | G | 54.3 | Low | 56.2 | Low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 90 | 140.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 212 | S | 60.4 | Low | 56.1 | Low | 43 Ų | 43 | 125.3 Ų | 125.3 | 30% | 0.301 | 64% | 0.639 | S | S | . | * | trans | -68.9 | 128.7 | 173.7 | -175.2 | 0 | 0 | 0 | 0 | 111 | R214 L222 | S212-R214 PolarHBondContact O-N 3.45Å; S212-L222 WeakPolarHBondContact CB-O 3.49Å | ||
| 213 | R | 59.1 | Low | 55.7 | Low | 217 Ų | 217 | 123.8 Ų | 123.8 | 82% | 0.819 | 62% | 0.623 | S | S | * | * | trans | -72 | 25.8 | 179.2 | -65 | 174.5 | 58.9 | 116 | 1.5 | 114.1 | ||||
| 214 | R | 60.3 | Low | 55.7 | Low | 92 Ų | 92 | 125.6 Ų | 125.6 | 35% | 0.347 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -97.7 | 140 | -176.2 | -69.8 | -178.8 | 179.7 | 158.4 | 4 | 110.5 | S212 V216 W219 F224 | S212-R214 PolarHBondContact O-N 3.45Å; R214-V216 PolarHBondContact O-N 3.02Å; R214-W219 HydrophobicContact CB-CB 4.32Å; R214-F224 VanDerWaalsContact NH1-CE1 3.27Å |
| 215 | H | 57.6 | Low | 55.9 | Low | 123 Ų | 123 | 127.4 Ų | 127.4 | 57% | 0.569 | 62% | 0.617 | S | S | * | * | trans | -73.1 | 113.8 | 175.1 | -171 | -103.5 | 0 | 0 | 0 | 109.5 | R217 N218 W219 | H215-R217 PolarHBondContact O-N 3.25Å; H215-N218 HydrophobicContact CB-CB 4.38Å; H215-N218 PolarHBondContact CE1-OD1 2.9Å; H215-N218 PolarHBondContact ND1-OD1 3.33Å; H215-N218 PolarHBondContact O-N 3.5Å; H215-W219 PolarHBondContact O-N 3.23Å | ||
| 216 | V | 57.2 | Low | 56.6 | Low | 84 Ų | 84 | 125.8 Ų | 125.8 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -45.5 | -39.2 | -172.8 | -176 | 0 | 0 | 0 | 0 | 112.8 | R214 G221 L222 | R214-V216 PolarHBondContact O-N 3.02Å; V216-G221 WeakPolarHBondContact O-CA 3.11Å; V216-G221 PolarHBondContact O-N 2.88Å; V216-L222 HydrophobicContact CG2-CD2 4.05Å; V216-L222 HydrophobicContact CG2-CG 4.19Å |
| 217 | R | 59.4 | Low | 57.2 | Low | 224 Ų | 224 | 121.1 Ų | 121.1 | 85% | 0.845 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -6.5 | -176.1 | -160.6 | 138.9 | 75.5 | 100.5 | -7.3 | 115.5 | H215 | H215-R217 PolarHBondContact O-N 3.25Š|
| 218 | N | 56.3 | Low | 57.5 | Low | 112 Ų | 112 | 119.6 Ų | 119.6 | 60% | 0.599 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | -18.5 | -172.7 | -63.7 | 44.9 | 0 | 0 | 0 | 114.1 | H215 | H215-N218 HydrophobicContact CB-CB 4.38Å; H215-N218 PolarHBondContact CE1-OD1 2.9Å; H215-N218 PolarHBondContact ND1-OD1 3.33Å; H215-N218 PolarHBondContact O-N 3.5Å |
| 219 | W | 56.1 | Low | 57.5 | Low | 176 Ų | 176 | 115.2 Ų | 115.2 | 67% | 0.667 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139 | 46.8 | -175.4 | -75.5 | 103.6 | 0 | 0 | 0 | 113.3 | R214 H215 | R214-W219 HydrophobicContact CB-CB 4.32Å; H215-W219 PolarHBondContact O-N 3.23Å |
| 220 | G | 63.8 | Low | 57.7 | Low | 25 Ų | 25 | 108.3 Ų | 108.3 | 26% | 0.258 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 70.7 | 45.2 | 169 | 0 | 0 | 0 | 0 | 0 | 114.8 | N226 | G220-N226 CarbonylContact C-O 3.59Å; G220-N226 VanDerWaalsContact CA-O 3.22Å; G220-N226 WeakPolarHBondContact CA-O 3.46Å; G220-N226 CarbonylContact O-C 3.55Å; G220-N226 WeakPolarHBondContact O-CB 3.33Å |
| 221 | G | 61.1 | Low | 57.6 | Low | 19 Ų | 19 | 106.1 Ų | 106.1 | 20% | 0.196 | 55% | 0.547 | C | S | . | . | S | Bend | trans | 76.2 | -154.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V216 | V216-G221 WeakPolarHBondContact O-CA 3.11Å; V216-G221 PolarHBondContact O-N 2.88Å |
| 222 | L | 53.8 | Low | 57.5 | Low | 101 Ų | 101 | 107.9 Ų | 107.9 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -82.6 | -32.4 | -178.6 | -74.3 | 159.3 | 0 | 0 | 0 | 112.6 | S212 V216 | S212-L222 WeakPolarHBondContact CB-O 3.49Å; V216-L222 HydrophobicContact CG2-CD2 4.05Å; V216-L222 HydrophobicContact CG2-CG 4.19Å |
| 223 | D | 57.6 | Low | 57.2 | Low | 99 Ų | 99 | 110.1 Ų | 110.1 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -122.1 | 158.4 | -167.4 | -62.4 | -66.4 | 0 | 0 | 0 | 113 | D225 N226 | D223-D225 VanDerWaalsContact C-N 3.28Å; D223-D225 PolarHBondContact O-N 3.16Å; D223-N226 PolarHBondContact O-N 2.84Å |
| 224 | F | 52 | Low | 57 | Low | 128 Ų | 128 | 106.6 Ų | 106.6 | 56% | 0.561 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -66.8 | -25.8 | -171.9 | -76.9 | -108.8 | 0 | 0 | 0 | 114.1 | R214 N226 V227 | R214-F224 VanDerWaalsContact NH1-CE1 3.27Å; F224-N226 VanDerWaalsContact C-N 3.27Å; F224-N226 PolarHBondContact O-N 3.22Å; F224-V227 WeakPolarHBondContact O-CB 3.29Å; F224-V227 WeakPolarHBondContact O-CG2 3.04Å; F224-V227 PolarHBondContact O-N 3.07Å |
| 225 | D | 57.3 | Low | 56.7 | Low | 161 Ų | 161 | 108.7 Ų | 108.7 | 86% | 0.861 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -75.4 | -17.1 | -176.6 | -56.6 | -45 | 0 | 0 | 0 | 113 | D223 V227 | D223-D225 VanDerWaalsContact C-N 3.28Å; D223-D225 PolarHBondContact O-N 3.16Å; D225-V227 VanDerWaalsContact C-N 3.33Å |
| 226 | N | 59.3 | Low | 56.5 | Low | 111 Ų | 111 | 105.3 Ų | 105.3 | 59% | 0.594 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -90.7 | 7.4 | 174 | -71.7 | -56.4 | 0 | 0 | 0 | 112.8 | G220 D223 F224 K228 | G220-N226 CarbonylContact C-O 3.59Å; G220-N226 VanDerWaalsContact CA-O 3.22Å; G220-N226 WeakPolarHBondContact CA-O 3.46Å; G220-N226 CarbonylContact O-C 3.55Å; G220-N226 WeakPolarHBondContact O-CB 3.33Å; D223-N226 PolarHBondContact O-N 2.84Å; F224-N226 VanDerWaalsContact C-N 3.27Å; F224-N226 PolarHBondContact O-N 3.22Å; N226-K228 PolarHBondContact O-N 2.83Å |
| 227 | V | 64.3 | Low | 55.8 | Low | 61 Ų | 61 | 111.5 Ų | 111.5 | 37% | 0.37 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -78.8 | 89.4 | 173.8 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | F224 D225 T229 | F224-V227 WeakPolarHBondContact O-CB 3.29Å; F224-V227 WeakPolarHBondContact O-CG2 3.04Å; F224-V227 PolarHBondContact O-N 3.07Å; D225-V227 VanDerWaalsContact C-N 3.33Å; V227-T229 PolarHBondContact O-N 3.41Å |
| 228 | K | 57.8 | Low | 55.3 | Low | 86 Ų | 86 | 106.3 Ų | 106.3 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | trans | -44.7 | 100.6 | 176.6 | -165 | 123.9 | 165.6 | 164.6 | 0 | 112.6 | N226 E232 E236 | N226-K228 PolarHBondContact O-N 2.83Å; K228-E232 HydrophobicContact CD-CB 4.47Å; K228-E232 WeakPolarHBondContact CD-OE2 3.35Å; K228-E232 WeakPolarHBondContact CE-OE1 3.4Å; K228-E232 WeakPolarHBondContact CE-OE2 3.09Å; K228-E232 HydrophobicContact CG-CB 4.22Å; K228-E232 IonicContact NZ-OE1 2.83Å; K228-E232 PolarHBondContact NZ-OE1 2.89Å; K228-E232 IonicContact NZ-OE2 3.17Å; K228-E232 PolarHBondContact NZ-OE2 3.23Å; K228-E236 WeakPolarHBondContact CE-OE2 3.42Å; K228-E236 IonicContact NZ-OE1 2.72Å; K228-E236 IonicContact NZ-OE2 4Å; K228-E236 PolarHBondContact NZ-OE2 3.13Å | ||
| 229 | T | 55.8 | Low | 55.1 | Low | 114 Ų | 114 | 105.5 Ų | 105.5 | 70% | 0.699 | 54% | 0.541 | S | S | * | . | trans | -66.7 | 134.7 | 173.8 | 29.1 | 0 | 0 | 0 | 0 | 109.9 | V227 H231 E232 | V227-T229 PolarHBondContact O-N 3.41Å; T229-H231 PolarHBondContact O-N 3.08Å; T229-E232 PolarHBondContact O-N 3.33Å | ||
| 230 | G | 55 | Low | 54.8 | Low | 55 Ų | 55 | 106.2 Ų | 106.2 | 57% | 0.567 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -19.4 | -158 | 0 | 0 | 0 | 0 | 0 | 117.7 | E232 L233 | G230-E232 PolarHBondContact O-N 3.41Å; G230-E232 VanDerWaalsContact O-N 3.16Å; G230-L233 PolarHBondContact O-N 3.16Å; G230-L233 VanDerWaalsContact O-N 3.09Å |
| 231 | H | 51 | Low | 53.7 | Low | 132 Ų | 132 | 115.3 Ų | 115.3 | 61% | 0.611 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.3 | -20.8 | 176.4 | -176.5 | -109.4 | 0 | 0 | 0 | 114.4 | T229 R235 | T229-H231 PolarHBondContact O-N 3.08Å; H231-R235 PolarHBondContact CD2-NH1 3.07Å; H231-R235 PolarHBondContact CE1-NH1 3.45Å; H231-R235 PolarHBondContact NE2-NH1 3.49Å; H231-R235 PolarHBondContact O-NH1 2.89Å |
| 232 | E | 53 | Low | 53 | Low | 103 Ų | 103 | 121 Ų | 121 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -87.7 | -31.3 | 175.1 | -158 | -167.2 | 157 | 0 | 0 | 112.7 | K228 T229 G230 R235 E236 | K228-E232 HydrophobicContact CD-CB 4.47Å; K228-E232 WeakPolarHBondContact CD-OE2 3.35Å; K228-E232 WeakPolarHBondContact CE-OE1 3.4Å; K228-E232 WeakPolarHBondContact CE-OE2 3.09Å; K228-E232 HydrophobicContact CG-CB 4.22Å; K228-E232 IonicContact NZ-OE1 2.83Å; K228-E232 PolarHBondContact NZ-OE1 2.89Å; K228-E232 IonicContact NZ-OE2 3.17Å; K228-E232 PolarHBondContact NZ-OE2 3.23Å; T229-E232 PolarHBondContact O-N 3.33Å; G230-E232 PolarHBondContact O-N 3.41Å; G230-E232 VanDerWaalsContact O-N 3.16Å; E232-R235 PolarHBondContact O-N 3.24Å; E232-E236 WeakPolarHBondContact O-CB 3.37Å; E232-E236 PolarHBondContact O-N 3.48Å; E232-E236 VanDerWaalsContact O-N 3.11Å |
| 233 | L | 53.7 | Low | 52.2 | Low | 89 Ų | 89 | 118.3 Ų | 118.3 | 47% | 0.466 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.1 | -43.6 | -175.9 | -170 | 74 | 0 | 0 | 0 | 111.8 | G230 R235 E236 W237 | G230-L233 PolarHBondContact O-N 3.16Å; G230-L233 VanDerWaalsContact O-N 3.09Å; L233-R235 VanDerWaalsContact C-N 3.35Å; L233-R235 PolarHBondContact O-N 3.41Å; L233-E236 PolarHBondContact O-N 2.89Å; L233-W237 PolarHBondContact O-N 2.72Å |
| 234 | E | 54.6 | Low | 51.9 | Low | 144 Ų | 144 | 120.1 Ų | 120.1 | 67% | 0.673 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57.8 | -44.4 | 179.6 | -177 | 175.5 | -133.5 | 0 | 0 | 112.1 | T238 | E234-T238 PolarHBondContact O-OG1 2.71Å |
| 235 | R | 54.3 | Low | 52 | Low | 136 Ų | 136 | 124.1 Ų | 124.1 | 51% | 0.513 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.6 | -35 | 176.7 | -71 | -174.8 | 174.4 | 80.2 | -4 | 112.7 | H231 E232 L233 W237 T238 S239 | H231-R235 PolarHBondContact CD2-NH1 3.07Å; H231-R235 PolarHBondContact CE1-NH1 3.45Å; H231-R235 PolarHBondContact NE2-NH1 3.49Å; H231-R235 PolarHBondContact O-NH1 2.89Å; E232-R235 PolarHBondContact O-N 3.24Å; L233-R235 VanDerWaalsContact C-N 3.35Å; L233-R235 PolarHBondContact O-N 3.41Å; R235-W237 PolarHBondContact O-N 3.28Å; R235-T238 PolarHBondContact O-N 2.8Å; R235-T238 PolarHBondContact O-OG1 2.98Å; R235-S239 WeakPolarHBondContact O-CB 3.42Å; R235-S239 PolarHBondContact O-N 3.37Å; R235-S239 PolarHBondContact O-OG 3.25Å |
| 236 | E | 52.9 | Low | 51.7 | Low | 51 Ų | 51 | 120.2 Ų | 120.2 | 24% | 0.238 | 63% | 0.633 | C | S | . | * | H | α-helix | trans | -69.8 | -33.9 | -176.1 | -173.6 | 162.9 | -149.6 | 0 | 0 | 113.4 | K228 E232 L233 T238 S239 R240 | K228-E236 WeakPolarHBondContact CE-OE2 3.42Å; K228-E236 IonicContact NZ-OE1 2.72Å; K228-E236 IonicContact NZ-OE2 4Å; K228-E236 PolarHBondContact NZ-OE2 3.13Å; E232-E236 WeakPolarHBondContact O-CB 3.37Å; E232-E236 PolarHBondContact O-N 3.48Å; E232-E236 VanDerWaalsContact O-N 3.11Å; L233-E236 PolarHBondContact O-N 2.89Å; E236-T238 VanDerWaalsContact C-N 3.33Å; E236-S239 PolarHBondContact O-N 2.95Å; E236-R240 HydrophobicContact CG-CG 4.27Å; E236-R240 WeakPolarHBondContact O-CG 3.23Å; E236-R240 IonicContact OE1-CZ 2.8Å; E236-R240 IonicContact OE1-NE 2.65Å; E236-R240 PolarHBondContact OE1-NE 3.46Å; E236-R240 IonicContact OE1-NH2 2.71Å; E236-R240 PolarHBondContact OE1-NH2 3.11Å |
| 237 | W | 43.9 | Very low | 51.3 | Low | 215 Ų | 215 | 118.2 Ų | 118.2 | 81% | 0.814 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.6 | -32 | 176.5 | -76.5 | 52.4 | 0 | 0 | 0 | 112.3 | L233 R235 | L233-W237 PolarHBondContact O-N 2.72Å; R235-W237 PolarHBondContact O-N 3.28Å |
| 238 | T | 47.8 | Very low | 50.7 | Low | 115 Ų | 115 | 121.2 Ų | 121.2 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -81.3 | -25.5 | 175.1 | 43.8 | 0 | 0 | 0 | 0 | 114.3 | E234 R235 E236 | E234-T238 PolarHBondContact O-OG1 2.71Å; R235-T238 PolarHBondContact O-N 2.8Å; R235-T238 PolarHBondContact O-OG1 2.98Å; E236-T238 VanDerWaalsContact C-N 3.33Å |
| 239 | S | 51.9 | Low | 50.6 | Low | 94 Ų | 94 | 121.8 Ų | 121.8 | 66% | 0.657 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -98.5 | -2 | -169.7 | -61.7 | 0 | 0 | 0 | 0 | 115.7 | R235 E236 R241 | R235-S239 WeakPolarHBondContact O-CB 3.42Å; R235-S239 PolarHBondContact O-N 3.37Å; R235-S239 PolarHBondContact O-OG 3.25Å; E236-S239 PolarHBondContact O-N 2.95Å; S239-R241 PolarHBondContact O-N 3.18Å |
| 240 | R | 49.3 | Very low | 50.8 | Low | 191 Ų | 191 | 120.3 Ų | 120.3 | 72% | 0.721 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -96.2 | 36 | -177 | -74.2 | -172.8 | 173.6 | -81.8 | 1.1 | 115.1 | E236 | E236-R240 HydrophobicContact CG-CG 4.27Å; E236-R240 WeakPolarHBondContact O-CG 3.23Å; E236-R240 IonicContact OE1-CZ 2.8Å; E236-R240 IonicContact OE1-NE 2.65Å; E236-R240 PolarHBondContact OE1-NE 3.46Å; E236-R240 IonicContact OE1-NH2 2.71Å; E236-R240 PolarHBondContact OE1-NH2 3.11Å |
| 241 | R | 41.9 | Very low | 51 | Low | 216 Ų | 216 | 123.2 Ų | 123.2 | 82% | 0.815 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -141.3 | 118.3 | 168.7 | -137.2 | -178.5 | -159.9 | -96.3 | 6.2 | 111.5 | S239 G243 | S239-R241 PolarHBondContact O-N 3.18Å; R241-G243 VanDerWaalsContact C-N 3.3Å; R241-G243 PolarHBondContact O-N 3.01Å |
| 242 | P | 45.5 | Very low | 51.5 | Low | 138 Ų | 138 | 117.7 Ų | 117.7 | 90% | 0.896 | 64% | 0.637 | S | S | * | * | trans | -80.5 | 72.7 | -179.9 | 32.7 | -34.9 | 0 | 0 | 0 | 112.3 | ||||
| 243 | G | 38.3 | Very low | 51.6 | Low | 46 Ų | 46 | 118.8 Ų | 118.8 | 47% | 0.474 | 64% | 0.643 | S | S | . | * | trans | 65.9 | -174.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | R241 | R241-G243 VanDerWaalsContact C-N 3.3Å; R241-G243 PolarHBondContact O-N 3.01Å | ||
| 244 | P | 49.9 | Very low | 52.2 | Low | 137 Ų | 137 | 118.9 Ų | 118.9 | 89% | 0.89 | 65% | 0.651 | S | S | * | * | cis | -86.1 | -173.2 | -19.5 | 37.2 | -33.4 | 0 | 0 | 0 | 112 | ||||
| 245 | K | 53.7 | Low | 52.7 | Low | 212 Ų | 212 | 115.7 Ų | 115.7 | 92% | 0.922 | 64% | 0.637 | S | S | * | * | trans | -95.6 | 160.1 | 175.7 | -65 | 176.9 | -179.6 | 175.2 | 0 | 111.5 | ||||
| 246 | G | 52.4 | Low | 53.7 | Low | 78 Ų | 78 | 113.2 Ų | 113.2 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | trans | 94.7 | 140.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 247 | G | 50.3 | Low | 54.6 | Low | 70 Ų | 70 | 113 Ų | 113 | 72% | 0.722 | 65% | 0.649 | S | S | * | * | trans | 75.6 | 90.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | V249 | G247-V249 PolarHBondContact O-N 3.08Š| ||
| 248 | S | 50.9 | Low | 56 | Low | 123 Ų | 123 | 111.2 Ų | 111.2 | 86% | 0.86 | 64% | 0.642 | S | S | * | * | trans | -66.5 | 91 | 145.6 | 176.1 | 0 | 0 | 0 | 0 | 106.5 | D250 | S248-D250 PolarHBondContact O-N 2.98Š| ||
| 249 | V | 57.1 | Low | 57.6 | Low | 99 Ų | 99 | 109.3 Ų | 109.3 | 60% | 0.6 | 63% | 0.625 | S | S | * | * | trans | -47.1 | 118.8 | 167.7 | 172.6 | 0 | 0 | 0 | 0 | 106.6 | G247 M251 M253 | G247-V249 PolarHBondContact O-N 3.08Å; V249-M251 PolarHBondContact O-N 3.2Å; V249-M253 HydrophobicContact CG1-CB 3.96Å | ||
| 250 | D | 59.7 | Low | 58.9 | Low | 82 Ų | 82 | 108.9 Ų | 108.9 | 44% | 0.439 | 61% | 0.609 | S | S | . | * | trans | -51.9 | 132.2 | -172.1 | 177.3 | 24 | 0 | 0 | 0 | 108.9 | S248 T252 M253 | S248-D250 PolarHBondContact O-N 2.98Å; D250-T252 PolarHBondContact O-N 3.3Å; D250-T252 WeakPolarHBondContact OD2-CB 3.47Å; D250-T252 VanDerWaalsContact OD2-CG2 3.23Å; D250-T252 WeakPolarHBondContact OD2-CG2 3.32Å; D250-T252 PolarHBondContact OD2-OG1 3.06Å; D250-M253 HydrophobicContact CB-CG 4.38Å; D250-M253 WeakPolarHBondContact O-CB 3.37Å; D250-M253 PolarHBondContact O-N 2.93Å | ||
| 251 | M | 59.9 | Low | 60.4 | Low | 116 Ų | 116 | 102.1 Ų | 102.1 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.5 | -25 | -170.5 | -151.1 | 162.3 | 69.2 | 0 | 0 | 110.3 | V249 M253 S254 M255 Y263 | V249-M251 PolarHBondContact O-N 3.2Å; M251-M253 VanDerWaalsContact C-N 3.34Å; M251-M253 PolarHBondContact O-N 2.96Å; M251-S254 PolarHBondContact O-N 3.21Å; M251-M255 VanDerWaalsContact O-CG 3.3Å; M251-M255 WeakPolarHBondContact O-CG 3.25Å; M251-M255 PolarHBondContact O-N 3.05Å; M251-Y263 HydrophobicContact CE-CE2 4.32Å |
| 252 | T | 61 | Low | 62.4 | Low | 17 Ų | 17 | 97 Ų | 97 | 10% | 0.104 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -58.3 | -38.6 | 169.8 | 77 | 0 | 0 | 0 | 0 | 113.6 | D250 S254 M255 R260 Y263 | D250-T252 PolarHBondContact O-N 3.3Å; D250-T252 WeakPolarHBondContact OD2-CB 3.47Å; D250-T252 VanDerWaalsContact OD2-CG2 3.23Å; D250-T252 WeakPolarHBondContact OD2-CG2 3.32Å; D250-T252 PolarHBondContact OD2-OG1 3.06Å; T252-S254 VanDerWaalsContact C-N 3.28Å; T252-S254 PolarHBondContact O-N 2.99Å; T252-M255 PolarHBondContact O-N 3.06Å; T252-R260 WeakPolarHBondContact O-CD 3.03Å; T252-R260 WeakPolarHBondContact O-CG 3.43Å; T252-R260 PolarHBondContact O-NH1 3Å; T252-Y263 HydrophobicContact CG2-CD1 3.68Å; T252-Y263 HydrophobicContact CG2-CE1 3.73Å |
| 253 | M | 55.1 | Low | 64.2 | Low | 125 Ų | 125 | 93.9 Ų | 93.9 | 62% | 0.616 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.6 | -30.9 | 179.1 | -65.6 | -73.9 | 99.5 | 0 | 0 | 112 | V249 D250 M251 | V249-M253 HydrophobicContact CG1-CB 3.96Å; D250-M253 HydrophobicContact CB-CG 4.38Å; D250-M253 WeakPolarHBondContact O-CB 3.37Å; D250-M253 PolarHBondContact O-N 2.93Å; M251-M253 VanDerWaalsContact C-N 3.34Å; M251-M253 PolarHBondContact O-N 2.96Å |
| 254 | S | 66.3 | Low | 66.6 | Low | 91 Ų | 91 | 96.6 Ų | 96.6 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -83.9 | -16.4 | -179.4 | -56.2 | 0 | 0 | 0 | 0 | 114.1 | M251 T252 | M251-S254 PolarHBondContact O-N 3.21Å; T252-S254 VanDerWaalsContact C-N 3.28Å; T252-S254 PolarHBondContact O-N 2.99Å |
| 255 | M | 65.6 | Low | 68.4 | Low | 77 Ų | 77 | 99.4 Ų | 99.4 | 38% | 0.379 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -94.9 | 159.3 | 179.4 | -60.3 | -60.7 | -70.8 | 0 | 0 | 111.4 | M251 T252 E259 R260 | M251-M255 VanDerWaalsContact O-CG 3.3Å; M251-M255 WeakPolarHBondContact O-CG 3.25Å; M251-M255 PolarHBondContact O-N 3.05Å; T252-M255 PolarHBondContact O-N 3.06Å; M255-E259 HydrophobicContact CB-CB 3.91Å; M255-E259 HydrophobicContact CE-CB 3.86Å; M255-E259 VanDerWaalsContact CE-CD 3.48Å; M255-E259 HydrophobicContact CE-CG 4.03Å; M255-E259 WeakPolarHBondContact CE-OE1 3.22Å; M255-R260 PolarHBondContact O-NH1 3.11Å |
| 256 | T | 73.4 | Confident | 70.1 | Confident | 84 Ų | 84 | 94.4 Ų | 94.4 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | trans | -70.5 | 167 | 177.4 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | R258 E259 R260 | T256-R258 VanDerWaalsContact C-N 3.27Å; T256-R258 PolarHBondContact O-N 3.11Å; T256-E259 WeakPolarHBondContact CB-OE2 3.47Å; T256-E259 VanDerWaalsContact CG2-OE2 3.28Å; T256-E259 WeakPolarHBondContact CG2-OE2 3.41Å; T256-E259 PolarHBondContact N-OE2 3.39Å; T256-E259 PolarHBondContact O-N 2.97Å; T256-E259 VanDerWaalsContact OG1-CD 3.28Å; T256-E259 WeakPolarHBondContact OG1-CG 3.33Å; T256-E259 PolarHBondContact OG1-OE2 2.97Å; T256-R260 WeakPolarHBondContact O-CB 3.26Å; T256-R260 PolarHBondContact O-N 2.73Å | ||
| 257 | G | 72.8 | Confident | 72 | Confident | 48 Ų | 48 | 95.8 Ų | 95.8 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -31.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A261 | G257-A261 PolarHBondContact O-N 3.32Å |
| 258 | R | 73.1 | Confident | 73.9 | Confident | 176 Ų | 176 | 99.2 Ų | 99.2 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74.8 | -48.4 | 175.1 | 174.5 | 175.2 | -81.8 | 179.5 | -12.1 | 111 | T256 R260 A261 E262 | T256-R258 VanDerWaalsContact C-N 3.27Å; T256-R258 PolarHBondContact O-N 3.11Å; R258-R260 PolarHBondContact O-N 2.87Å; R258-A261 WeakPolarHBondContact O-CB 3.43Å; R258-A261 PolarHBondContact O-N 3.18Å; R258-E262 WeakPolarHBondContact CG-OE1 3.19Å; R258-E262 PolarHBondContact O-N 2.76Å |
| 259 | E | 81.9 | Confident | 75.8 | Confident | 75 Ų | 75 | 98.5 Ų | 98.5 | 35% | 0.35 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -31.8 | 176.3 | -65.4 | 164.3 | 131.6 | 0 | 0 | 112.1 | M255 T256 E262 Y263 | M255-E259 HydrophobicContact CB-CB 3.91Å; M255-E259 HydrophobicContact CE-CB 3.86Å; M255-E259 VanDerWaalsContact CE-CD 3.48Å; M255-E259 HydrophobicContact CE-CG 4.03Å; M255-E259 WeakPolarHBondContact CE-OE1 3.22Å; T256-E259 WeakPolarHBondContact CB-OE2 3.47Å; T256-E259 VanDerWaalsContact CG2-OE2 3.28Å; T256-E259 WeakPolarHBondContact CG2-OE2 3.41Å; T256-E259 PolarHBondContact N-OE2 3.39Å; T256-E259 PolarHBondContact O-N 2.97Å; T256-E259 VanDerWaalsContact OG1-CD 3.28Å; T256-E259 WeakPolarHBondContact OG1-CG 3.33Å; T256-E259 PolarHBondContact OG1-OE2 2.97Å; E259-E262 PolarHBondContact O-N 2.78Å; E259-Y263 VanDerWaalsContact O-CB 3.26Å; E259-Y263 WeakPolarHBondContact O-CB 3.18Å; E259-Y263 PolarHBondContact O-N 2.69Å |
| 260 | R | 79.3 | Confident | 77.5 | Confident | 85 Ų | 85 | 100.8 Ų | 100.8 | 32% | 0.321 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 168.4 | -84.6 | -164.2 | -82 | -90.2 | 4.7 | 112.3 | T252 M255 T256 R258 E262 Y263 L264 | T252-R260 WeakPolarHBondContact O-CD 3.03Å; T252-R260 WeakPolarHBondContact O-CG 3.43Å; T252-R260 PolarHBondContact O-NH1 3Å; M255-R260 PolarHBondContact O-NH1 3.11Å; T256-R260 WeakPolarHBondContact O-CB 3.26Å; T256-R260 PolarHBondContact O-N 2.73Å; R258-R260 PolarHBondContact O-N 2.87Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-Y263 PolarHBondContact O-N 3.09Å; R260-L264 WeakPolarHBondContact O-CB 3.17Å; R260-L264 VanDerWaalsContact O-CG 3.26Å; R260-L264 WeakPolarHBondContact O-CG 3.36Å; R260-L264 PolarHBondContact O-N 3.16Å |
| 261 | A | 80.3 | Confident | 78.7 | Confident | 50 Ų | 50 | 101.9 Ų | 101.9 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G257 R258 R265 | G257-A261 PolarHBondContact O-N 3.32Å; R258-A261 WeakPolarHBondContact O-CB 3.43Å; R258-A261 PolarHBondContact O-N 3.18Å; A261-R265 WeakPolarHBondContact O-CB 3.09Å; A261-R265 WeakPolarHBondContact O-CG 3.29Å; A261-R265 PolarHBondContact O-N 3.18Å |
| 262 | E | 83.6 | Confident | 79.9 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 173.4 | -71.5 | 167.9 | -152.7 | 0 | 0 | 112 | R258 E259 R260 L264 R265 W266 | R258-E262 WeakPolarHBondContact CG-OE1 3.19Å; R258-E262 PolarHBondContact O-N 2.76Å; E259-E262 PolarHBondContact O-N 2.78Å; R260-E262 VanDerWaalsContact C-N 3.34Å; E262-L264 PolarHBondContact O-N 2.86Å; E262-R265 PolarHBondContact O-N 2.86Å; E262-W266 WeakPolarHBondContact O-CB 3.16Å; E262-W266 PolarHBondContact O-N 3.43Å |
| 263 | Y | 84.4 | Confident | 80.7 | Confident | 73 Ų | 73 | 105.2 Ų | 105.2 | 29% | 0.286 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 174.1 | -179 | -98.6 | 0 | 0 | 0 | 112.3 | M251 T252 E259 R260 W266 K267 | M251-Y263 HydrophobicContact CE-CE2 4.32Å; T252-Y263 HydrophobicContact CG2-CD1 3.68Å; T252-Y263 HydrophobicContact CG2-CE1 3.73Å; E259-Y263 VanDerWaalsContact O-CB 3.26Å; E259-Y263 WeakPolarHBondContact O-CB 3.18Å; E259-Y263 PolarHBondContact O-N 2.69Å; R260-Y263 PolarHBondContact O-N 3.09Å; Y263-W266 AromaticContact CD2-CE3 3.86Å; Y263-W266 HydrophobicContact CD2-CE3 3.86Å; Y263-W266 HydrophobicContact CD2-CZ3 4.11Å; Y263-W266 AromaticContact CE2-CE3 3.8Å; Y263-W266 HydrophobicContact CE2-CE3 3.8Å; Y263-W266 AromaticContact CE2-CZ3 3.56Å; Y263-W266 HydrophobicContact CE2-CZ3 3.56Å; Y263-W266 PolarHBondContact O-N 2.67Å; Y263-K267 VanDerWaalsContact O-CB 3.23Å; Y263-K267 WeakPolarHBondContact O-CB 3.22Å; Y263-K267 PolarHBondContact O-N 2.7Å |
| 264 | L | 88.3 | Confident | 82.2 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 173.5 | -73.3 | 169.6 | 0 | 0 | 0 | 111.8 | R260 E262 K268 | R260-L264 WeakPolarHBondContact O-CB 3.17Å; R260-L264 VanDerWaalsContact O-CG 3.26Å; R260-L264 WeakPolarHBondContact O-CG 3.36Å; R260-L264 PolarHBondContact O-N 3.16Å; E262-L264 PolarHBondContact O-N 2.86Å; L264-K268 VanDerWaalsContact O-CB 3.23Å; L264-K268 WeakPolarHBondContact O-CB 3.23Å; L264-K268 PolarHBondContact O-N 2.7Å |
| 265 | R | 87.5 | Confident | 82.7 | Confident | 196 Ų | 196 | 103.9 Ų | 103.9 | 74% | 0.74 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.2 | -47.2 | 171.6 | -79.9 | 174.2 | 168.6 | -175.5 | -5 | 111.5 | A261 E262 K268 E269 | A261-R265 WeakPolarHBondContact O-CB 3.09Å; A261-R265 WeakPolarHBondContact O-CG 3.29Å; A261-R265 PolarHBondContact O-N 3.18Å; E262-R265 PolarHBondContact O-N 2.86Å; R265-K268 CarbonylContact O-C 3.58Å; R265-K268 PolarHBondContact O-N 3.17Å; R265-E269 WeakPolarHBondContact O-CB 3.14Å; R265-E269 PolarHBondContact O-N 3.23Å |
| 266 | W | 89.8 | Confident | 83.2 | Confident | 108 Ų | 108 | 104.8 Ų | 104.8 | 41% | 0.409 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 176.4 | 171.4 | 77 | 0 | 0 | 0 | 112.9 | E262 Y263 E269 R270 | E262-W266 WeakPolarHBondContact O-CB 3.16Å; E262-W266 PolarHBondContact O-N 3.43Å; Y263-W266 AromaticContact CD2-CE3 3.86Å; Y263-W266 HydrophobicContact CD2-CE3 3.86Å; Y263-W266 HydrophobicContact CD2-CZ3 4.11Å; Y263-W266 AromaticContact CE2-CE3 3.8Å; Y263-W266 HydrophobicContact CE2-CE3 3.8Å; Y263-W266 AromaticContact CE2-CZ3 3.56Å; Y263-W266 HydrophobicContact CE2-CZ3 3.56Å; Y263-W266 PolarHBondContact O-N 2.67Å; W266-E269 PolarHBondContact O-N 3.17Å; W266-R270 HydrophobicContact CD2-CG 4.37Å; W266-R270 HydrophobicContact CZ2-CG 4Å; W266-R270 WeakPolarHBondContact O-CB 3.37Å; W266-R270 WeakPolarHBondContact O-CG 3.47Å; W266-R270 PolarHBondContact O-N 3.29Å |
| 267 | K | 92.6 | Very high | 83.4 | Confident | 106 Ų | 106 | 106.4 Ų | 106.4 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 174.3 | -174.6 | -175.2 | 174.7 | -169 | 0 | 109.9 | Y263 R270 E271 | Y263-K267 VanDerWaalsContact O-CB 3.23Å; Y263-K267 WeakPolarHBondContact O-CB 3.22Å; Y263-K267 PolarHBondContact O-N 2.7Å; K267-R270 WeakPolarHBondContact O-CB 3.13Å; K267-R270 PolarHBondContact O-N 3Å; K267-E271 WeakPolarHBondContact O-CB 3.49Å; K267-E271 PolarHBondContact O-N 3.26Å |
| 268 | K | 89.4 | Confident | 83.2 | Confident | 142 Ų | 142 | 106.7 Ų | 106.7 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.9 | -34.4 | 176.1 | -175.1 | 169.3 | -178.3 | 171.7 | 0 | 112.8 | L264 R265 Q272 | L264-K268 VanDerWaalsContact O-CB 3.23Å; L264-K268 WeakPolarHBondContact O-CB 3.23Å; L264-K268 PolarHBondContact O-N 2.7Å; R265-K268 CarbonylContact O-C 3.58Å; R265-K268 PolarHBondContact O-N 3.17Å; K268-Q272 WeakPolarHBondContact O-CB 3.19Å; K268-Q272 PolarHBondContact O-N 2.83Å |
| 269 | E | 89.8 | Confident | 83 | Confident | 108 Ų | 108 | 101.6 Ų | 101.6 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 172.5 | -177 | -168.3 | -176.2 | 0 | 0 | 110.8 | R265 W266 Q272 I273 | R265-E269 WeakPolarHBondContact O-CB 3.14Å; R265-E269 PolarHBondContact O-N 3.23Å; W266-E269 PolarHBondContact O-N 3.17Å; E269-Q272 PolarHBondContact O-N 3.08Å; E269-I273 HydrophobicContact CG-CD1 3.98Å; E269-I273 WeakPolarHBondContact O-CB 3.35Å; E269-I273 WeakPolarHBondContact O-CD1 3.39Å; E269-I273 WeakPolarHBondContact O-CG1 3.47Å; E269-I273 PolarHBondContact O-N 2.95Å |
| 270 | R | 92.8 | Very high | 82.1 | Confident | 148 Ų | 148 | 105.4 Ų | 105.4 | 56% | 0.558 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 173.8 | -84.3 | -68.6 | -168.2 | 85.3 | -1.8 | 112.5 | W266 K267 I273 D274 | W266-R270 HydrophobicContact CD2-CG 4.37Å; W266-R270 HydrophobicContact CZ2-CG 4Å; W266-R270 WeakPolarHBondContact O-CB 3.37Å; W266-R270 WeakPolarHBondContact O-CG 3.47Å; W266-R270 PolarHBondContact O-N 3.29Å; K267-R270 WeakPolarHBondContact O-CB 3.13Å; K267-R270 PolarHBondContact O-N 3Å; R270-I273 PolarHBondContact O-N 3.38Å; R270-D274 PolarHBondContact O-N 2.97Å |
| 271 | E | 86.1 | Confident | 80.9 | Confident | 105 Ų | 105 | 103.1 Ų | 103.1 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 175.8 | -169.8 | 162.8 | -117 | 0 | 0 | 110 | K267 I273 D274 E275 | K267-E271 WeakPolarHBondContact O-CB 3.49Å; K267-E271 PolarHBondContact O-N 3.26Å; E271-I273 VanDerWaalsContact C-N 3.35Å; E271-I273 PolarHBondContact O-N 2.78Å; E271-D274 CarbonylContact O-C 3.58Å; E271-D274 PolarHBondContact O-N 2.76Å; E271-D274 VanDerWaalsContact O-N 3.15Å; E271-E275 WeakPolarHBondContact O-CB 3.34Å; E271-E275 WeakPolarHBondContact O-CG 3.45Å; E271-E275 PolarHBondContact O-N 3.25Å |
| 272 | Q | 84.9 | Confident | 79.8 | Confident | 120 Ų | 120 | 109.2 Ų | 109.2 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.8 | -38.4 | 174 | -176 | 177.4 | 5.8 | 0 | 0 | 112.7 | K268 E269 E276 | K268-Q272 WeakPolarHBondContact O-CB 3.19Å; K268-Q272 PolarHBondContact O-N 2.83Å; E269-Q272 PolarHBondContact O-N 3.08Å; Q272-E276 WeakPolarHBondContact O-CB 3.35Å; Q272-E276 PolarHBondContact O-N 2.79Å |
| 273 | I | 77.7 | Confident | 78.6 | Confident | 83 Ų | 83 | 107.4 Ų | 107.4 | 43% | 0.426 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 175.2 | -74.9 | 165.2 | 0 | 0 | 0 | 110.7 | E269 R270 E271 R277 | E269-I273 HydrophobicContact CG-CD1 3.98Å; E269-I273 WeakPolarHBondContact O-CB 3.35Å; E269-I273 WeakPolarHBondContact O-CD1 3.39Å; E269-I273 WeakPolarHBondContact O-CG1 3.47Å; E269-I273 PolarHBondContact O-N 2.95Å; R270-I273 PolarHBondContact O-N 3.38Å; E271-I273 VanDerWaalsContact C-N 3.35Å; E271-I273 PolarHBondContact O-N 2.78Å; I273-R277 WeakPolarHBondContact O-CB 3.41Å; I273-R277 PolarHBondContact O-N 2.9Å |
| 274 | D | 85.9 | Confident | 77.5 | Confident | 67 Ų | 67 | 109.5 Ų | 109.5 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -78.2 | -29.4 | 179 | -133.8 | 37.8 | 0 | 0 | 0 | 112.1 | R270 E271 R277 L278 | R270-D274 PolarHBondContact O-N 2.97Å; E271-D274 CarbonylContact O-C 3.58Å; E271-D274 PolarHBondContact O-N 2.76Å; E271-D274 VanDerWaalsContact O-N 3.15Å; D274-R277 WeakPolarHBondContact OD1-CD 3.32Å; D274-R277 IonicContact OD1-CZ 3.74Å; D274-R277 IonicContact OD1-NE 3.55Å; D274-R277 IonicContact OD1-NH1 3.1Å; D274-R277 PolarHBondContact OD1-NH1 2.81Å; D274-L278 VanDerWaalsContact O-CB 3.23Å; D274-L278 WeakPolarHBondContact O-CB 3.43Å; D274-L278 PolarHBondContact O-N 2.74Å |
| 275 | E | 77.7 | Confident | 76 | Confident | 120 Ų | 120 | 109.5 Ų | 109.5 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 165.7 | -79.5 | -175 | 157.9 | 0 | 0 | 111.9 | E271 R277 L278 A279 | E271-E275 WeakPolarHBondContact O-CB 3.34Å; E271-E275 WeakPolarHBondContact O-CG 3.45Å; E271-E275 PolarHBondContact O-N 3.25Å; E275-R277 VanDerWaalsContact C-N 3.33Å; E275-L278 CarbonylContact O-C 3.55Å; E275-L278 VanDerWaalsContact O-CB 3.22Å; E275-L278 WeakPolarHBondContact O-CB 3.47Å; E275-L278 PolarHBondContact O-N 3.15Å; E275-A279 WeakPolarHBondContact O-CB 3.37Å; E275-A279 PolarHBondContact O-N 2.96Å |
| 276 | E | 76.7 | Confident | 74.9 | Confident | 96 Ų | 96 | 102 Ų | 102 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.9 | -33 | 178.5 | -164.7 | -159.6 | -154.9 | 0 | 0 | 110.7 | Q272 R280 | Q272-E276 WeakPolarHBondContact O-CB 3.35Å; Q272-E276 PolarHBondContact O-N 2.79Å; E276-R280 VanDerWaalsContact CG-NH1 3.35Å; E276-R280 WeakPolarHBondContact O-CB 3.35Å; E276-R280 VanDerWaalsContact O-CG 3.26Å; E276-R280 WeakPolarHBondContact O-CG 3.35Å; E276-R280 PolarHBondContact O-N 3.39Å; E276-R280 IonicContact OE1-CZ 2.83Å; E276-R280 IonicContact OE1-NH1 2.61Å; E276-R280 IonicContact OE1-NH2 3.47Å; E276-R280 PolarHBondContact OE1-NH2 2.8Å; E276-R280 IonicContact OE2-CZ 3.63Å; E276-R280 IonicContact OE2-NH1 3.46Å; E276-R280 PolarHBondContact OE2-NH1 3.39Å; E276-R280 IonicContact OE2-NH2 2.76Å; E276-R280 PolarHBondContact OE2-NH2 3.28Å |
| 277 | R | 76.9 | Confident | 73.9 | Confident | 118 Ų | 118 | 101.2 Ų | 101.2 | 45% | 0.445 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 169.5 | -172 | -167.5 | -161.2 | -163.6 | 2.5 | 111.8 | I273 D274 E275 H281 | I273-R277 WeakPolarHBondContact O-CB 3.41Å; I273-R277 PolarHBondContact O-N 2.9Å; D274-R277 WeakPolarHBondContact OD1-CD 3.32Å; D274-R277 IonicContact OD1-CZ 3.74Å; D274-R277 IonicContact OD1-NE 3.55Å; D274-R277 IonicContact OD1-NH1 3.1Å; D274-R277 PolarHBondContact OD1-NH1 2.81Å; E275-R277 VanDerWaalsContact C-N 3.33Å; R277-H281 WeakPolarHBondContact O-CB 3.12Å; R277-H281 PolarHBondContact O-CD2 3.37Å; R277-H281 PolarHBondContact O-N 2.84Å; R277-H281 VanDerWaalsContact O-N 3.11Å |
| 278 | L | 69.2 | Low | 72.7 | Confident | 54 Ų | 54 | 103.4 Ų | 103.4 | 28% | 0.283 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 170.1 | -105.1 | 159.2 | 0 | 0 | 0 | 111.2 | D274 E275 H281 R282 W288 | D274-L278 VanDerWaalsContact O-CB 3.23Å; D274-L278 WeakPolarHBondContact O-CB 3.43Å; D274-L278 PolarHBondContact O-N 2.74Å; E275-L278 CarbonylContact O-C 3.55Å; E275-L278 VanDerWaalsContact O-CB 3.22Å; E275-L278 WeakPolarHBondContact O-CB 3.47Å; E275-L278 PolarHBondContact O-N 3.15Å; L278-H281 CarbonylContact O-C 3.26Å; L278-H281 VanDerWaalsContact O-C 3.26Å; L278-H281 WeakPolarHBondContact O-CA 3.21Å; L278-H281 PolarHBondContact O-N 2.89Å; L278-R282 PolarHBondContact O-N 3.38Å; L278-W288 HydrophobicContact CD1-CH2 4.19Å; L278-W288 HydrophobicContact CD1-CZ2 4.39Å; L278-W288 HydrophobicContact CD2-CD2 4.43Å; L278-W288 HydrophobicContact CD2-CH2 3.63Å; L278-W288 HydrophobicContact CD2-CZ2 3.3Å; L278-W288 HydrophobicContact CD2-CZ3 4.28Å; L278-W288 HydrophobicContact CG-CH2 3.58Å; L278-W288 HydrophobicContact CG-CZ2 3.81Å; L278-W288 HydrophobicContact CG-CZ3 4.15Å |
| 279 | A | 68.2 | Low | 71.6 | Confident | 69 Ų | 69 | 99.6 Ų | 99.6 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E275 H281 | E275-A279 WeakPolarHBondContact O-CB 3.37Å; E275-A279 PolarHBondContact O-N 2.96Å; A279-H281 PolarHBondContact O-N 3.16Å |
| 280 | R | 63 | Low | 70.7 | Confident | 156 Ų | 156 | 99.2 Ų | 99.2 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.9 | 170.6 | -71.1 | -177 | -165.8 | 106.4 | -8.5 | 114.2 | E276 | E276-R280 VanDerWaalsContact CG-NH1 3.35Å; E276-R280 WeakPolarHBondContact O-CB 3.35Å; E276-R280 VanDerWaalsContact O-CG 3.26Å; E276-R280 WeakPolarHBondContact O-CG 3.35Å; E276-R280 PolarHBondContact O-N 3.39Å; E276-R280 IonicContact OE1-CZ 2.83Å; E276-R280 IonicContact OE1-NH1 2.61Å; E276-R280 IonicContact OE1-NH2 3.47Å; E276-R280 PolarHBondContact OE1-NH2 2.8Å; E276-R280 IonicContact OE2-CZ 3.63Å; E276-R280 IonicContact OE2-NH1 3.46Å; E276-R280 PolarHBondContact OE2-NH1 3.39Å; E276-R280 IonicContact OE2-NH2 2.76Å; E276-R280 PolarHBondContact OE2-NH2 3.28Å |
| 281 | H | 53.8 | Low | 69 | Low | 36 Ų | 36 | 101 Ų | 101 | 17% | 0.167 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 9.5 | 179.5 | -65.8 | -32.4 | 0 | 0 | 0 | 114 | R277 L278 A279 R290 | R277-H281 WeakPolarHBondContact O-CB 3.12Å; R277-H281 PolarHBondContact O-CD2 3.37Å; R277-H281 PolarHBondContact O-N 2.84Å; R277-H281 VanDerWaalsContact O-N 3.11Å; L278-H281 CarbonylContact O-C 3.26Å; L278-H281 VanDerWaalsContact O-C 3.26Å; L278-H281 WeakPolarHBondContact O-CA 3.21Å; L278-H281 PolarHBondContact O-N 2.89Å; A279-H281 PolarHBondContact O-N 3.16Å; H281-R290 PolarHBondContact NE2-NE 2.86Å |
| 282 | R | 57.1 | Low | 68 | Low | 179 Ų | 179 | 104.6 Ų | 104.6 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | B | Isolated β-bridge | trans | -88.9 | 100.5 | 158.6 | -83 | -166.5 | 171.7 | 170.7 | -0.5 | 108.7 | L278 | L278-R282 PolarHBondContact O-N 3.38Å |
| 283 | N | 60 | Low | 67.3 | Low | 69 Ų | 69 | 99.9 Ų | 99.9 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | trans | -64.2 | 168.3 | 147.6 | 60.3 | 8.5 | 0 | 0 | 0 | 109.4 | T285 G286 Q287 | N283-T285 PolarHBondContact ND2-OG1 3.43Å; N283-T285 PolarHBondContact O-N 2.78Å; N283-T285 PolarHBondContact OD1-OG1 3.32Å; N283-G286 PolarHBondContact O-N 3.22Å; N283-G286 PolarHBondContact OD1-N 3.2Å; N283-G286 VanDerWaalsContact OD1-N 3.08Å; N283-Q287 PolarHBondContact OD1-N 2.69Å; N283-Q287 PolarHBondContact OD1-O 3.24Å | ||
| 284 | A | 60.5 | Low | 66.7 | Low | 117 Ų | 117 | 99.3 Ų | 99.3 | 97% | 0.967 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -13.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 285 | T | 55.6 | Low | 65.4 | Low | 103 Ų | 103 | 104.7 Ų | 104.7 | 63% | 0.632 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 7.6 | 175.4 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | N283 Q287 | N283-T285 PolarHBondContact ND2-OG1 3.43Å; N283-T285 PolarHBondContact O-N 2.78Å; N283-T285 PolarHBondContact OD1-OG1 3.32Å; T285-Q287 VanDerWaalsContact C-N 3.25Å; T285-Q287 PolarHBondContact O-N 3.5Å |
| 286 | G | 65.9 | Low | 64.4 | Low | 37 Ų | 37 | 103.3 Ų | 103.3 | 38% | 0.381 | 51% | 0.506 | S | S | . | . | trans | 71.6 | 8.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | N283 | N283-G286 PolarHBondContact O-N 3.22Å; N283-G286 PolarHBondContact OD1-N 3.2Å; N283-G286 VanDerWaalsContact OD1-N 3.08Å | ||
| 287 | Q | 68 | Low | 63.3 | Low | 92 Ų | 92 | 102.9 Ų | 102.9 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | trans | -90.9 | 123.4 | -176.2 | -70.5 | 176.2 | -34.8 | 0 | 0 | 112 | N283 T285 R289 | N283-Q287 PolarHBondContact OD1-N 2.69Å; N283-Q287 PolarHBondContact OD1-O 3.24Å; T285-Q287 VanDerWaalsContact C-N 3.25Å; T285-Q287 PolarHBondContact O-N 3.5Å; Q287-R289 PolarHBondContact O-N 3.05Å | ||
| 288 | W | 66.8 | Low | 62 | Low | 152 Ų | 152 | 99.7 Ų | 99.7 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | B | Isolated β-bridge | trans | -71 | 81.2 | -179.5 | -63.6 | 66.6 | 0 | 0 | 0 | 112.2 | L278 | L278-W288 HydrophobicContact CD1-CH2 4.19Å; L278-W288 HydrophobicContact CD1-CZ2 4.39Å; L278-W288 HydrophobicContact CD2-CD2 4.43Å; L278-W288 HydrophobicContact CD2-CH2 3.63Å; L278-W288 HydrophobicContact CD2-CZ2 3.3Å; L278-W288 HydrophobicContact CD2-CZ3 4.28Å; L278-W288 HydrophobicContact CG-CH2 3.58Å; L278-W288 HydrophobicContact CG-CZ2 3.81Å; L278-W288 HydrophobicContact CG-CZ3 4.15Å |
| 289 | R | 67.2 | Low | 61.7 | Low | 63 Ų | 63 | 102 Ų | 102 | 24% | 0.238 | 52% | 0.523 | C | S | . | . | trans | -118.6 | 140.8 | 170.4 | -81.9 | -176 | 156.2 | 96.9 | -4.6 | 111.2 | Q287 D293 K296 D298 | Q287-R289 PolarHBondContact O-N 3.05Å; R289-D293 HydrophobicContact CG-CB 4.48Å; R289-K296 PolarHBondContact NH2-O 3.49Å; R289-D298 IonicContact CZ-OD1 3.94Å; R289-D298 VanDerWaalsContact CZ-OD1 3.31Å; R289-D298 IonicContact NH1-OD1 2.69Å; R289-D298 PolarHBondContact NH1-OD1 3.33Å; R289-D298 IonicContact NH2-OD1 2.7Å; R289-D298 PolarHBondContact NH2-OD1 3.37Å | ||
| 290 | R | 71.3 | Confident | 61.4 | Low | 99 Ų | 99 | 103.4 Ų | 103.4 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | trans | -93.8 | 163.9 | 167.9 | -50 | -162.7 | 166.1 | 77.1 | 11.8 | 110.1 | H281 W292 D293 A294 | H281-R290 PolarHBondContact NE2-NE 2.86Å; R290-W292 PolarHBondContact O-N 3.34Å; R290-D293 HydrophobicContact CB-CB 4.47Å; R290-D293 VanDerWaalsContact CB-OD2 3.25Å; R290-D293 WeakPolarHBondContact CB-OD2 3.34Å; R290-D293 WeakPolarHBondContact CG-OD2 3.43Å; R290-D293 CarbonylContact O-C 3.6Å; R290-D293 WeakPolarHBondContact O-CA 3.23Å; R290-D293 WeakPolarHBondContact O-CB 3.42Å; R290-D293 PolarHBondContact O-N 3.11Å; R290-A294 PolarHBondContact O-N 3.48Å; R290-A294 VanDerWaalsContact O-N 3.08Å | ||
| 291 | E | 56.3 | Low | 61.2 | Low | 185 Ų | 185 | 102.2 Ų | 102.2 | 86% | 0.864 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.9 | 177 | 65 | -156.5 | 132.6 | 0 | 0 | 114.1 | A294 | E291-A294 WeakPolarHBondContact O-CB 3.23Š|
| 292 | W | 65.6 | Low | 61.4 | Low | 182 Ų | 182 | 107.5 Ų | 107.5 | 69% | 0.689 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -26.6 | 173 | 89.3 | -67.6 | 0 | 0 | 0 | 113.3 | R290 A294 | R290-W292 PolarHBondContact O-N 3.34Å; W292-A294 VanDerWaalsContact C-N 3.26Å; W292-A294 PolarHBondContact O-N 2.89Å |
| 293 | D | 70.9 | Confident | 60.7 | Low | 20 Ų | 20 | 107.4 Ų | 107.4 | 11% | 0.107 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -78 | -10.4 | 175 | -63.7 | -61.7 | 0 | 0 | 0 | 112.1 | R289 R290 Q295 K296 | R289-D293 HydrophobicContact CG-CB 4.48Å; R290-D293 HydrophobicContact CB-CB 4.47Å; R290-D293 VanDerWaalsContact CB-OD2 3.25Å; R290-D293 WeakPolarHBondContact CB-OD2 3.34Å; R290-D293 WeakPolarHBondContact CG-OD2 3.43Å; R290-D293 CarbonylContact O-C 3.6Å; R290-D293 WeakPolarHBondContact O-CA 3.23Å; R290-D293 WeakPolarHBondContact O-CB 3.42Å; R290-D293 PolarHBondContact O-N 3.11Å; D293-Q295 PolarHBondContact O-N 2.99Å; D293-K296 WeakPolarHBondContact O-CB 3.32Å; D293-K296 PolarHBondContact O-N 2.97Å |
| 294 | A | 64.4 | Low | 59.4 | Low | 72 Ų | 72 | 109.6 Ų | 109.6 | 60% | 0.595 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -62.6 | -24.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R290 E291 W292 K296 | R290-A294 PolarHBondContact O-N 3.48Å; R290-A294 VanDerWaalsContact O-N 3.08Å; E291-A294 WeakPolarHBondContact O-CB 3.23Å; W292-A294 VanDerWaalsContact C-N 3.26Å; W292-A294 PolarHBondContact O-N 2.89Å; A294-K296 VanDerWaalsContact C-N 3.34Å |
| 295 | Q | 59.5 | Low | 59 | Low | 179 Ų | 179 | 109.2 Ų | 109.2 | 84% | 0.836 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -85.7 | -4.8 | 174.5 | -62.8 | -178.5 | 14.5 | 0 | 0 | 113.1 | D293 T297 | D293-Q295 PolarHBondContact O-N 2.99Å; Q295-T297 PolarHBondContact O-N 3.34Å |
| 296 | K | 55.8 | Low | 58 | Low | 92 Ų | 92 | 111.9 Ų | 111.9 | 40% | 0.4 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -85.1 | 97.9 | 169.7 | -77 | -70.3 | -160.8 | 161.4 | 0 | 109.5 | R289 D293 A294 M300 F301 | R289-K296 PolarHBondContact NH2-O 3.49Å; D293-K296 WeakPolarHBondContact O-CB 3.32Å; D293-K296 PolarHBondContact O-N 2.97Å; A294-K296 VanDerWaalsContact C-N 3.34Å; K296-M300 HydrophobicContact CD-CE 3.58Å; K296-M300 HydrophobicContact CD-SD 3.85Å; K296-M300 PolarHBondContact NZ-SD 3.37Å; K296-M300 VanDerWaalsContact NZ-SD 3.41Å; K296-F301 HydrophobicContact CB-CD2 4.47Å; K296-F301 HydrophobicContact CB-CE2 3.78Å; K296-F301 HydrophobicContact CG-CE2 4.39Å |
| 297 | T | 52.6 | Low | 57 | Low | 87 Ų | 87 | 116.2 Ų | 116.2 | 53% | 0.534 | 57% | 0.569 | S | S | . | * | trans | -46.9 | 143.1 | 174.4 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | Q295 S299 M300 | Q295-T297 PolarHBondContact O-N 3.34Å; T297-S299 PolarHBondContact O-N 3.25Å; T297-M300 PolarHBondContact O-N 2.69Å; T297-M300 VanDerWaalsContact OG1-CE 3.23Å; T297-M300 WeakPolarHBondContact OG1-CE 3.49Å | ||
| 298 | D | 51.5 | Low | 55.9 | Low | 51 Ų | 51 | 116.1 Ų | 116.1 | 27% | 0.273 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -63.6 | -26 | -174 | -152.2 | 48 | 0 | 0 | 0 | 113.4 | R289 M300 F301 K302 | R289-D298 IonicContact CZ-OD1 3.94Å; R289-D298 VanDerWaalsContact CZ-OD1 3.31Å; R289-D298 IonicContact NH1-OD1 2.69Å; R289-D298 PolarHBondContact NH1-OD1 3.33Å; R289-D298 IonicContact NH2-OD1 2.7Å; R289-D298 PolarHBondContact NH2-OD1 3.37Å; D298-M300 PolarHBondContact O-N 2.8Å; D298-M300 VanDerWaalsContact O-N 3.11Å; D298-F301 PolarHBondContact O-N 3.05Å; D298-K302 PolarHBondContact O-N 3.09Å; D298-K302 VanDerWaalsContact O-N 3.11Å; D298-K302 WeakPolarHBondContact OD2-CE 3.41Å; D298-K302 IonicContact OD2-NZ 3.17Å; D298-K302 PolarHBondContact OD2-NZ 3.28Å |
| 299 | S | 62.7 | Low | 54.7 | Low | 103 Ų | 103 | 112.7 Ų | 112.7 | 72% | 0.72 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -58.2 | -14.6 | 169.2 | -172.9 | 0 | 0 | 0 | 0 | 115.3 | T297 | T297-S299 PolarHBondContact O-N 3.25Š|
| 300 | M | 60.5 | Low | 53.4 | Low | 98 Ų | 98 | 118.6 Ų | 118.6 | 48% | 0.483 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -96.3 | -3.2 | 173 | -82.6 | -174.8 | -81.7 | 0 | 0 | 113.9 | K296 T297 D298 | K296-M300 HydrophobicContact CD-CE 3.58Å; K296-M300 HydrophobicContact CD-SD 3.85Å; K296-M300 PolarHBondContact NZ-SD 3.37Å; K296-M300 VanDerWaalsContact NZ-SD 3.41Å; T297-M300 PolarHBondContact O-N 2.69Å; T297-M300 VanDerWaalsContact OG1-CE 3.23Å; T297-M300 WeakPolarHBondContact OG1-CE 3.49Å; D298-M300 PolarHBondContact O-N 2.8Å; D298-M300 VanDerWaalsContact O-N 3.11Å |
| 301 | F | 59.7 | Low | 51.7 | Low | 130 Ų | 130 | 117 Ų | 117 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | -11.6 | 174.4 | -78.3 | -81.2 | 0 | 0 | 0 | 112.9 | K296 D298 E303 | K296-F301 HydrophobicContact CB-CD2 4.47Å; K296-F301 HydrophobicContact CB-CE2 3.78Å; K296-F301 HydrophobicContact CG-CE2 4.39Å; D298-F301 PolarHBondContact O-N 3.05Å; F301-E303 VanDerWaalsContact C-N 3.32Å; F301-E303 PolarHBondContact O-N 3.11Å |
| 302 | K | 58.2 | Low | 50.6 | Low | 147 Ų | 147 | 114.9 Ų | 114.9 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | trans | -91.8 | 56.3 | 169.6 | -73 | 168.3 | 164.7 | 157.1 | 0 | 111.3 | D298 | D298-K302 PolarHBondContact O-N 3.09Å; D298-K302 VanDerWaalsContact O-N 3.11Å; D298-K302 WeakPolarHBondContact OD2-CE 3.41Å; D298-K302 IonicContact OD2-NZ 3.17Å; D298-K302 PolarHBondContact OD2-NZ 3.28Å | ||
| 303 | E | 41.8 | Very low | 48.9 | Very low | 178 Ų | 178 | 112.2 Ų | 112.2 | 83% | 0.832 | 64% | 0.636 | S | S | * | * | trans | -82.3 | 117.6 | 152.8 | -76 | -170.9 | 146.4 | 0 | 0 | 106.6 | F301 | F301-E303 VanDerWaalsContact C-N 3.32Å; F301-E303 PolarHBondContact O-N 3.11Å | ||
| 304 | D | 33.8 | Very low | 47.5 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | trans | -68.8 | 136 | -168.4 | -101.5 | -45.6 | 0 | 0 | 0 | 113.2 | F306 V307 | D304-F306 HydrophobicContact CB-CB 4.06Å; D304-F306 PolarHBondContact O-N 3.3Å; D304-V307 HydrophobicContact CB-CG2 4.43Å | ||
| 305 | P | 51 | Low | 46.1 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 71% | 0.708 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -58.4 | -23.2 | 163.9 | -21.5 | 33.2 | 0 | 0 | 0 | 112.8 | V307 A308 | P305-V307 PolarHBondContact O-N 3.2Å; P305-A308 WeakPolarHBondContact O-CB 3.43Å; P305-A308 PolarHBondContact O-N 3.22Å |
| 306 | F | 35.1 | Very low | 44.9 | Very low | 159 Ų | 159 | 121.5 Ų | 121.5 | 70% | 0.697 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -63.5 | -35 | -174.1 | -162.1 | -108.4 | 0 | 0 | 0 | 113.7 | D304 A308 A309 | D304-F306 HydrophobicContact CB-CB 4.06Å; D304-F306 PolarHBondContact O-N 3.3Å; F306-A308 PolarHBondContact O-N 3.41Å; F306-A309 PolarHBondContact O-N 3.31Å |
| 307 | V | 43.8 | Very low | 44 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -73.8 | -7.9 | -179.4 | -171.7 | 0 | 0 | 0 | 0 | 112.4 | D304 P305 | D304-V307 HydrophobicContact CB-CG2 4.43Å; P305-V307 PolarHBondContact O-N 3.2Å |
| 308 | A | 44.7 | Very low | 43.5 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 74% | 0.744 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -91.6 | -6.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | P305 F306 | P305-A308 WeakPolarHBondContact O-CB 3.43Å; P305-A308 PolarHBondContact O-N 3.22Å; F306-A308 PolarHBondContact O-N 3.41Å |
| 309 | A | 41.8 | Very low | 43.4 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -42.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F306 G311 | F306-A309 PolarHBondContact O-N 3.31Å; A309-G311 PolarHBondContact O-N 3.43Å |
| 310 | E | 41.2 | Very low | 42.8 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -95.8 | 83.6 | 176.9 | -68.2 | -155.5 | 124.8 | 0 | 0 | 111.2 | ||
| 311 | G | 33.9 | Very low | 42 | Very low | 64 Ų | 64 | 135.9 Ų | 135.9 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | -138.6 | 16.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | A309 | A309-G311 PolarHBondContact O-N 3.43Š| ||
| 312 | V | 33.8 | Very low | 41.7 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | 72.9 | 130 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 313 | T | 30.9 | Very low | 41.7 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -45.5 | 149.4 | 171.6 | 49.9 | 0 | 0 | 0 | 0 | 116.1 | E315 | T313-E315 PolarHBondContact O-N 2.78Š| ||
| 314 | A | 40 | Very low | 42.4 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | trans | -83.8 | 109.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 315 | E | 35.8 | Very low | 43.8 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | -156.2 | 167.6 | 150.5 | -120.2 | -57.7 | 128.8 | 0 | 0 | 109.3 | T313 | T313-E315 PolarHBondContact O-N 2.78Š| ||
| 316 | E | 34.3 | Very low | 44.2 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | 51.1 | 104.3 | -178 | -152.8 | 167.7 | -169.8 | 0 | 0 | 117.1 | ||||
| 317 | G | 37.9 | Very low | 45.4 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -94.5 | 153.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 318 | G | 42 | Very low | 46.6 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | trans | 165.6 | 75.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 119 | R320 | G318-R320 PolarHBondContact O-N 2.82Š| ||
| 319 | R | 48.9 | Very low | 47.6 | Very low | 254 Ų | 254 | 135.7 Ų | 135.7 | 96% | 0.958 | 76% | 0.756 | S | S | * | * | trans | 40.6 | 70.5 | 154.6 | -59.9 | -174.4 | 179.4 | -154.1 | 2.4 | 117 | ||||
| 320 | R | 49 | Very low | 49 | Very low | 229 Ų | 229 | 136.9 Ų | 136.9 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -146.1 | 169 | 161.6 | -103.4 | 153.4 | -155.4 | -133.6 | 4.1 | 111.7 | G318 | G318-R320 PolarHBondContact O-N 2.82Š| ||
| 321 | D | 44.3 | Very low | 50.1 | Low | 106 Ų | 106 | 132 Ų | 132 | 57% | 0.567 | 74% | 0.74 | S | S | * | * | trans | 70.1 | 25.7 | 168.4 | -59.5 | -52.9 | 0 | 0 | 0 | 121 | S323 | D321-S323 PolarHBondContact O-N 3.36Š| ||
| 322 | D | 54.4 | Low | 50.8 | Low | 138 Ų | 138 | 136.5 Ų | 136.5 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -62.8 | -17.6 | 147.7 | -119.1 | -36.5 | 0 | 0 | 0 | 111.5 | K324 | D322-K324 PolarHBondContact O-N 2.77Š|
| 323 | S | 56.4 | Low | 52.2 | Low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -68.9 | -9.1 | -176.2 | -48.2 | 0 | 0 | 0 | 0 | 115.8 | D321 | D321-S323 PolarHBondContact O-N 3.36Š|
| 324 | K | 56.7 | Low | 54 | Low | 171 Ų | 171 | 130.6 Ų | 130.6 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -102.5 | -6 | -175.7 | -71 | -72.2 | -172.3 | 167.5 | 0 | 113.9 | D322 | D322-K324 PolarHBondContact O-N 2.77Š|
| 325 | R | 63.1 | Low | 55.1 | Low | 161 Ų | 161 | 132.3 Ų | 132.3 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -85.1 | 134.3 | -178.2 | -148.6 | 170 | -163 | 152.3 | 8.7 | 110.1 | ||
| 326 | P | 59.7 | Low | 56.4 | Low | 102 Ų | 102 | 129.4 Ų | 129.4 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 145.3 | 174.3 | 25 | -34.2 | 0 | 0 | 0 | 110.1 | R328 | P326-R328 PolarHBondContact O-N 2.9Š|
| 327 | P | 61.3 | Low | 57.6 | Low | 129 Ų | 129 | 123.8 Ų | 123.8 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 118.1 | -177.4 | 24.2 | -33.5 | 0 | 0 | 0 | 109.4 | G329 | P327-G329 PolarHBondContact O-N 3.32Å; P327-G329 VanDerWaalsContact O-N 3.16Å |
| 328 | R | 68.1 | Low | 58.3 | Low | 187 Ų | 187 | 127 Ų | 127 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 122.7 | 177.5 | -66.8 | -177.8 | -177.4 | -102.8 | 10.8 | 108.1 | P326 | P326-R328 PolarHBondContact O-N 2.9Š|
| 329 | G | 65.8 | Low | 58.3 | Low | 53 Ų | 53 | 127.5 Ų | 127.5 | 55% | 0.546 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 146.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P327 T331 | P327-G329 PolarHBondContact O-N 3.32Å; P327-G329 VanDerWaalsContact O-N 3.16Å; G329-T331 PolarHBondContact O-N 2.78Å |
| 330 | P | 71.1 | Confident | 58.5 | Low | 107 Ų | 107 | 125.9 Ų | 125.9 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | trans | -58.7 | 105.3 | -167.2 | 22.5 | -34 | 0 | 0 | 0 | 111 | D334 | P330-D334 HydrophobicContact CB-CB 4.27Å; P330-D334 WeakPolarHBondContact CB-OD2 3.39Å | ||
| 331 | T | 65.6 | Low | 58 | Low | 83 Ų | 83 | 120.5 Ų | 120.5 | 51% | 0.509 | 66% | 0.658 | S | S | . | * | trans | -70.1 | 165.7 | 179 | 69 | 0 | 0 | 0 | 0 | 110.4 | G329 A333 D334 F335 | G329-T331 PolarHBondContact O-N 2.78Å; T331-A333 PolarHBondContact O-N 3.47Å; T331-D334 WeakPolarHBondContact O-CB 3.4Å; T331-D334 PolarHBondContact O-N 2.81Å; T331-F335 PolarHBondContact O-N 3.06Å | ||
| 332 | F | 48.1 | Very low | 58.5 | Low | 159 Ų | 159 | 124.9 Ų | 124.9 | 70% | 0.697 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -55.2 | -27.1 | -179.9 | -173.3 | -106.7 | 0 | 0 | 0 | 113.8 | L336 | F332-L336 HydrophobicContact CD1-CD1 4.1Å; F332-L336 HydrophobicContact CE1-CD1 3.83Å; F332-L336 HydrophobicContact CZ-CD1 4.47Å; F332-L336 WeakPolarHBondContact O-CG 3.18Å; F332-L336 PolarHBondContact O-N 2.92Å |
| 333 | A | 62.6 | Low | 57.6 | Low | 60 Ų | 60 | 121.1 Ų | 121.1 | 50% | 0.496 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -68.8 | -32.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T331 L336 S337 | T331-A333 PolarHBondContact O-N 3.47Å; A333-L336 PolarHBondContact O-N 3.25Å; A333-S337 PolarHBondContact O-N 2.86Å; A333-S337 VanDerWaalsContact O-N 3.13Å; A333-S337 PolarHBondContact O-OG 2.98Å |
| 334 | D | 68.9 | Low | 57.1 | Low | 84 Ų | 84 | 122.2 Ų | 122.2 | 45% | 0.449 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -74.6 | -38.6 | -178.6 | -160.5 | 32.6 | 0 | 0 | 0 | 111 | P330 T331 L336 S337 Q338 | P330-D334 HydrophobicContact CB-CB 4.27Å; P330-D334 WeakPolarHBondContact CB-OD2 3.39Å; T331-D334 WeakPolarHBondContact O-CB 3.4Å; T331-D334 PolarHBondContact O-N 2.81Å; D334-L336 VanDerWaalsContact C-N 3.31Å; D334-L336 PolarHBondContact O-N 2.85Å; D334-S337 WeakPolarHBondContact O-CA 3.26Å; D334-S337 WeakPolarHBondContact O-CB 3.23Å; D334-S337 PolarHBondContact O-N 3.37Å; D334-Q338 PolarHBondContact O-N 3.4Å |
| 335 | F | 62.4 | Low | 56.2 | Low | 140 Ų | 140 | 126.6 Ų | 126.6 | 61% | 0.614 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -57.5 | -40.9 | 169.3 | -179.3 | -108.8 | 0 | 0 | 0 | 112.5 | T331 S337 | T331-F335 PolarHBondContact O-N 3.06Å; F335-S337 PolarHBondContact O-N 3.5Å |
| 336 | L | 65.1 | Low | 55.2 | Low | 118 Ų | 118 | 122 Ų | 122 | 62% | 0.618 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.9 | -16.8 | 173.9 | -66.5 | 173.2 | 0 | 0 | 0 | 113.5 | F332 A333 D334 | F332-L336 HydrophobicContact CD1-CD1 4.1Å; F332-L336 HydrophobicContact CE1-CD1 3.83Å; F332-L336 HydrophobicContact CZ-CD1 4.47Å; F332-L336 WeakPolarHBondContact O-CG 3.18Å; F332-L336 PolarHBondContact O-N 2.92Å; A333-L336 PolarHBondContact O-N 3.25Å; D334-L336 VanDerWaalsContact C-N 3.31Å; D334-L336 PolarHBondContact O-N 2.85Å |
| 337 | S | 59.3 | Low | 53.9 | Low | 64 Ų | 64 | 123.6 Ų | 123.6 | 45% | 0.448 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -86.7 | -17.2 | -177.6 | -63 | 0 | 0 | 0 | 0 | 113.4 | A333 D334 F335 G339 R340 | A333-S337 PolarHBondContact O-N 2.86Å; A333-S337 VanDerWaalsContact O-N 3.13Å; A333-S337 PolarHBondContact O-OG 2.98Å; D334-S337 WeakPolarHBondContact O-CA 3.26Å; D334-S337 WeakPolarHBondContact O-CB 3.23Å; D334-S337 PolarHBondContact O-N 3.37Å; F335-S337 PolarHBondContact O-N 3.5Å; S337-G339 PolarHBondContact O-N 2.82Å; S337-R340 PolarHBondContact O-N 3.49Å |
| 338 | Q | 51.2 | Low | 53.1 | Low | 147 Ų | 147 | 129 Ų | 129 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -18.1 | 179.1 | -63 | -173.1 | 1.3 | 0 | 0 | 114.2 | D334 R340 | D334-Q338 PolarHBondContact O-N 3.4Å; Q338-R340 PolarHBondContact O-N 3.43Å |
| 339 | G | 43.1 | Very low | 51.5 | Low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -2.7 | 171 | 0 | 0 | 0 | 0 | 0 | 115.3 | S337 | S337-G339 PolarHBondContact O-N 2.82Š|
| 340 | R | 52.5 | Low | 50.6 | Low | 220 Ų | 220 | 134.4 Ų | 134.4 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -139.3 | 82 | 178.8 | -69.5 | -176.8 | 179 | -116.2 | 1.7 | 110.3 | S337 Q338 Q342 | S337-R340 PolarHBondContact O-N 3.49Å; Q338-R340 PolarHBondContact O-N 3.43Å; R340-Q342 PolarHBondContact O-N 3.46Å |
| 341 | S | 39.5 | Very low | 48.7 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -57.6 | 135.7 | 175.4 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 342 | Q | 53.5 | Low | 47.7 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -70.4 | 159.4 | 173.6 | -63.5 | -168.4 | 15.9 | 0 | 0 | 112.3 | R340 | R340-Q342 PolarHBondContact O-N 3.46Š| ||
| 343 | G | 34.9 | Very low | 47 | Very low | 58 Ų | 58 | 137.8 Ų | 137.8 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | trans | -166.2 | 140 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 344 | P | 46 | Very low | 46 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -65.1 | 135.4 | 174.7 | 28.5 | -33.9 | 0 | 0 | 0 | 109.6 | G346 | P344-G346 PolarHBondContact O-N 3.03Š| ||
| 345 | R | 38 | Very low | 44.3 | Very low | 264 Ų | 264 | 146.8 Ų | 146.8 | 100% | 0.996 | 78% | 0.784 | S | S | * | * | trans | -78.9 | 65.6 | -179.9 | -73.7 | -173.7 | 172.8 | -179.2 | -0.5 | 112 | ||||
| 346 | G | 42.4 | Very low | 43.2 | Very low | 64 Ų | 64 | 147.6 Ų | 147.6 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | -96.5 | 123.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P344 | P344-G346 PolarHBondContact O-N 3.03Š| ||
| 347 | D | 32.2 | Very low | 41.8 | Very low | 135 Ų | 135 | 151.5 Ų | 151.5 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 62 | 153.7 | 170.9 | -160.7 | 26.7 | 0 | 0 | 0 | 119.2 | S349 | D347-S349 WeakPolarHBondContact OD2-CB 3.26Å; D347-S349 PolarHBondContact OD2-OG 2.81Å | ||
| 348 | R | 45.1 | Very low | 40.6 | Very low | 244 Ų | 244 | 156.3 Ų | 156.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -130.7 | 63 | 176.7 | -75.2 | 179.1 | 168.8 | 155.6 | -6.7 | 110.8 | ||||
| 349 | S | 34.9 | Very low | 40.2 | Very low | 98 Ų | 98 | 154.5 Ų | 154.5 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | trans | -94.2 | 143 | 176.9 | -73.4 | 0 | 0 | 0 | 0 | 113.1 | D347 | D347-S349 WeakPolarHBondContact OD2-CB 3.26Å; D347-S349 PolarHBondContact OD2-OG 2.81Å | ||
| 350 | R | 45.2 | Very low | 39.8 | Very low | 255 Ų | 255 | 160.9 Ų | 160.9 | 96% | 0.962 | 82% | 0.817 | S | S | * | * | trans | -87.8 | 138.7 | -170.7 | -61.5 | 169 | 177 | 154.9 | -3.3 | 111.8 | ||||
| 351 | G | 33.1 | Very low | 39.6 | Very low | 80 Ų | 80 | 154.5 Ų | 154.5 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -158.8 | 128.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 352 | R | 42.8 | Very low | 39.5 | Very low | 261 Ų | 261 | 154.2 Ų | 154.2 | 99% | 0.985 | 80% | 0.804 | S | S | * | * | trans | -100.6 | 136.1 | 166.5 | -73.7 | -167 | -176.1 | -82.1 | 9 | 109.3 | ||||
| 353 | G | 33.5 | Very low | 38.6 | Very low | 79 Ų | 79 | 153 Ų | 153 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -141.2 | 147.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 354 | R | 43.1 | Very low | 38.7 | Very low | 262 Ų | 262 | 154.9 Ų | 154.9 | 99% | 0.989 | 80% | 0.802 | S | S | * | * | trans | -117.4 | 135.9 | 174.6 | -76.1 | -176.4 | 177.2 | -103.4 | 11.6 | 110.2 | ||||
| 355 | G | 33.1 | Very low | 38.4 | Very low | 71 Ų | 71 | 157.4 Ų | 157.4 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -169 | 119.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 356 | Q | 39.2 | Very low | 38.3 | Very low | 156 Ų | 156 | 155.1 Ų | 155.1 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | 74.4 | 89.6 | 63.9 | -75.5 | -75.2 | -10.6 | 0 | 0 | 114 | |||||
| 357 | R | 34.8 | Very low | 37.8 | Very low | 201 Ų | 201 | 158.1 Ų | 158.1 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | trans | 70.4 | 164.4 | 154.6 | -59.7 | 172.2 | -170.6 | -95.8 | 1.8 | 114.7 | ||||
| 358 | Q | 35.2 | Very low | 37.7 | Very low | 165 Ų | 165 | 163.1 Ų | 163.1 | 77% | 0.771 | 81% | 0.812 | S | S | * | * | cis | -118.4 | 164.5 | 6.9 | -75 | -75.1 | 16.5 | 0 | 0 | 113.1 | ||||
| 359 | S | 41.6 | Very low | 37.2 | Very low | 109 Ų | 109 | 155.8 Ų | 155.8 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -120.9 | 117.9 | 172.8 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 360 | Y | 34.6 | Very low | 37.1 | Very low | 210 Ų | 210 | 158.3 Ų | 158.3 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -143.3 | 105.7 | 174.3 | -151.2 | -104.9 | 0 | 0 | 0 | 107.6 | ||||
| 361 | S | 48 | Very low | 36.3 | Very low | 85 Ų | 85 | 157.6 Ų | 157.6 | 59% | 0.594 | 81% | 0.807 | S | S | * | * | 77.1 | 43.2 | 80.3 | -161.8 | 0 | 0 | 0 | 0 | 115 | H363 | S361-H363 PolarHBondContact O-N 3.39Š| |||
| 362 | S | 38.8 | Very low | 36.3 | Very low | 111 Ų | 111 | 158 Ų | 158 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -81.3 | 44.2 | 178.1 | -45.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 363 | H | 34.5 | Very low | 35.8 | Very low | 174 Ų | 174 | 154 Ų | 154 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -144.8 | 139.8 | 171.4 | -65.6 | 90.8 | 0 | 0 | 0 | 108.2 | S361 | S361-H363 PolarHBondContact O-N 3.39Š| ||
| 364 | S | 36.6 | Very low | 36.3 | Very low | 96 Ų | 96 | 155.6 Ų | 155.6 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | cis | -158.8 | 136.2 | 0.4 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | R366 | S364-R366 PolarHBondContact O-N 3.48Š| ||
| 365 | I | 39.3 | Very low | 36.2 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 95% | 0.954 | 77% | 0.774 | S | S | * | * | trans | -81.3 | 94.8 | 169.8 | 42.1 | 171.7 | 0 | 0 | 0 | 110.9 | ||||
| 366 | R | 36 | Very low | 35.9 | Very low | 215 Ų | 215 | 150.7 Ų | 150.7 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -129.4 | 88.4 | -178.9 | -167.3 | 174.7 | -173.6 | 169.1 | 2.5 | 112.1 | S364 | S364-R366 PolarHBondContact O-N 3.48Š| ||
| 367 | T | 33.2 | Very low | 35.6 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 46.6 | 96.6 | 154.6 | 56.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 368 | R | 30.2 | Very low | 35.3 | Very low | 240 Ų | 240 | 146 Ų | 146 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -156.1 | 132.5 | 140.3 | -108.3 | 175.1 | 170.9 | -174.3 | -5.3 | 106.9 | ||||
| 369 | A | 34.1 | Very low | 35 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | cis | 75.5 | 100.2 | 31.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 370 | D | 31.7 | Very low | 34.3 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 52.1 | 110.4 | 150.7 | -171.4 | 32.6 | 0 | 0 | 0 | 120.2 | ||||
| 371 | R | 29.7 | Very low | 34.1 | Very low | 239 Ų | 239 | 142.9 Ų | 142.9 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | -164.1 | 155.3 | 120.2 | -145.5 | 167.6 | 179.4 | 175.1 | -1.7 | 112.4 | |||||
| 372 | S | 31.9 | Very low | 33 | Very low | 88 Ų | 88 | 145.2 Ų | 145.2 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | trans | -115.7 | 153.3 | -175.2 | 46.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 373 | E | 32 | Very low | 33.5 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | 68.9 | 167.7 | 148.9 | -76.9 | 180 | -156.9 | 0 | 0 | 120.3 | ||||
| 374 | P | 44.5 | Very low | 33 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -136.4 | -138.8 | -66.9 | 40.3 | -19.4 | 0 | 0 | 0 | 111 | |||||
| 375 | P | 41.3 | Very low | 32.4 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | -117.3 | 170 | -64.4 | 32.3 | -15.1 | 0 | 0 | 0 | 114.4 | |||||
| 376 | S | 27.5 | Very low | 31.7 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -168.5 | 126.6 | 140.2 | 41.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 377 | E | 31.7 | Very low | 31.1 | Very low | 196 Ų | 196 | 133.2 Ų | 133.2 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | 7.3 | 146.5 | 136.6 | -58.2 | 173.9 | 158 | 0 | 0 | 120.2 | ||||
| 378 | G | 28.4 | Very low | 30.8 | Very low | 63 Ų | 63 | 138.2 Ų | 138.2 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | cis | 172.5 | -163.1 | 0.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 379 | S | 30.2 | Very low | 30.5 | Very low | 119 Ų | 119 | 132 Ų | 132 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 71.8 | 144.4 | 177.5 | 76.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 380 | D | 26.6 | Very low | 30.2 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | cis | -163.1 | 171.8 | -36.4 | -139.4 | -38.4 | 0 | 0 | 0 | 111.9 | ||||
| 381 | L | 30.7 | Very low | 30.1 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | 72.5 | 132.4 | 165.7 | -53.1 | -172.2 | 0 | 0 | 0 | 120.7 | ||||
| 382 | T | 25 | Very low | 30.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | -139.2 | -162.3 | 165.9 | 58.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 383 | P | 49 | Very low | 29.9 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | -124.9 | 171 | -56.4 | 30 | -12.3 | 0 | 0 | 0 | 113.3 | |||||
| 384 | S | 22.5 | Very low | 29.9 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -164.8 | 130.7 | 150 | -176 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 385 | S | 24.1 | Very low | 29.3 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | cis | 93 | 136.8 | 34.6 | 98 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 386 | G | 25.3 | Very low | 28.8 | Very low | 63 Ų | 63 | 144.8 Ų | 144.8 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | 109.1 | 92.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 387 | T | 23.1 | Very low | 29.6 | Very low | 128 Ų | 128 | 144 Ų | 144 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | 84.6 | 143 | 51.7 | 75.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 388 | R | 26.9 | Very low | 29.3 | Very low | 233 Ų | 233 | 144.6 Ų | 144.6 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | 84.6 | 148.8 | 170.6 | -54.9 | 174.7 | 178.9 | -171.1 | -2.1 | 117.4 | ||||
| 389 | S | 25.2 | Very low | 29.4 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | cis | -177.7 | 165.8 | -22.1 | -91 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 390 | R | 26.4 | Very low | 29.4 | Very low | 240 Ų | 240 | 149.4 Ų | 149.4 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | 84.9 | 143.8 | 151.4 | -158.6 | -178.4 | -153.9 | 161.5 | 6.8 | 117.8 | ||||
| 391 | K | 29.3 | Very low | 29.3 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 58% | 0.578 | 79% | 0.787 | S | S | * | * | cis | -173.3 | 118.2 | -27.8 | 176.8 | -145.2 | 169.3 | -148.5 | 0 | 110.4 | E393 | K391-E393 IonicContact NZ-OE1 3.48Å; K391-E393 PolarHBondContact NZ-OE1 3.22Å; K391-E393 VanDerWaalsContact NZ-OE1 3.15Å | ||
| 392 | Q | 30.3 | Very low | 29.3 | Very low | 155 Ų | 155 | 150 Ų | 150 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | 54.3 | 176.5 | 153.9 | -58.8 | 179.6 | -95.6 | 0 | 0 | 116.9 | ||||
| 393 | E | 28.9 | Very low | 29.6 | Very low | 157 Ų | 157 | 152 Ų | 152 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -133.4 | 174.8 | 15.2 | -73.1 | 168.7 | 169.1 | 0 | 0 | 112.9 | K391 | K391-E393 IonicContact NZ-OE1 3.48Å; K391-E393 PolarHBondContact NZ-OE1 3.22Å; K391-E393 VanDerWaalsContact NZ-OE1 3.15Å | ||
| 394 | E | 32.3 | Very low | 29 | Very low | 184 Ų | 184 | 151.9 Ų | 151.9 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -104.7 | 153.3 | -178.1 | -59 | 163.2 | 114 | 0 | 0 | 110.8 | ||||
| 395 | E | 31 | Very low | 29.4 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -165.1 | 151.3 | 136.4 | -124.3 | -179.3 | -178.6 | 0 | 0 | 114.1 | ||||
| 396 | E | 30.6 | Very low | 29.6 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -156.2 | 170.4 | 171.3 | -133 | -162.3 | -140.1 | 0 | 0 | 105.3 | ||||
| 397 | P | 45 | Very low | 29.8 | Very low | 98 Ų | 98 | 161.6 Ų | 161.6 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | cis | -133.4 | -179 | -13.7 | 41.9 | -27.1 | 0 | 0 | 0 | 113.4 | ||||
| 398 | K | 25.7 | Very low | 30.1 | Very low | 207 Ų | 207 | 162.8 Ų | 162.8 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | -174.7 | 167.3 | 126.7 | -109.3 | -173.6 | 174.9 | -165.1 | 0 | 113.6 | |||||
| 399 | A | 29.4 | Very low | 30.1 | Very low | 87 Ų | 87 | 159 Ų | 159 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -123.4 | 162.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 400 | E | 29.3 | Very low | 30.2 | Very low | 196 Ų | 196 | 159.3 Ų | 159.3 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -158.9 | -177.4 | 146.9 | -128.4 | 150.9 | -146 | 0 | 0 | 111.7 | ||||
| 401 | T | 24.5 | Very low | 30.4 | Very low | 126 Ų | 126 | 155.6 Ų | 155.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -124.2 | 161 | -154.5 | -39.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 402 | E | 31.1 | Very low | 30.3 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | 160.6 | 153.4 | 128.8 | -86.4 | 178.2 | -178.3 | 0 | 0 | 114.5 | |||||
| 403 | E | 32.5 | Very low | 30.5 | Very low | 173 Ų | 173 | 158.3 Ų | 158.3 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -100.6 | 172.8 | 168.8 | -59.4 | -173.2 | 159.1 | 0 | 0 | 110.5 | ||||
| 404 | P | 36.1 | Very low | 30.6 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | -150.9 | 149.1 | 98 | 37.1 | -19.8 | 0 | 0 | 0 | 117.8 | |||||
| 405 | K | 30.4 | Very low | 30.7 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | 13.3 | 149.8 | 118 | -101.5 | -168.8 | 152.8 | -168.6 | 0 | 119.2 | |||||
| 406 | V | 27.7 | Very low | 30.7 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | cis | -157.1 | 166.8 | -3.2 | -138.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 407 | E | 29.2 | Very low | 30.8 | Very low | 197 Ų | 197 | 147 Ų | 147 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | -166.7 | 167.2 | 117.1 | -114.1 | 176.3 | -170.9 | 0 | 0 | 113.2 | |||||
| 408 | E | 30.7 | Very low | 30.2 | Very low | 152 Ų | 152 | 148 Ų | 148 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | trans | -139.4 | 145.2 | -166.9 | 176.8 | -173.8 | 174.6 | 0 | 0 | 110.1 | N410 | E408-N410 PolarHBondContact OE1-ND2 3.03Š| ||
| 409 | K | 26.2 | Very low | 30.7 | Very low | 155 Ų | 155 | 144 Ų | 144 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | trans | -151.6 | 128.2 | 158.7 | -162.5 | 160.3 | -175 | -75.2 | 0 | 112.1 | E411 | K409-E411 IonicContact NZ-OE1 2.66Å; K409-E411 PolarHBondContact NZ-OE1 2.98Å; K409-E411 IonicContact NZ-OE2 3.31Å; K409-E411 PolarHBondContact NZ-OE2 2.87Å | ||
| 410 | N | 27.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | trans | -103.6 | 157.2 | 168.9 | -53.6 | -78.1 | 0 | 0 | 0 | 109.1 | E408 | E408-N410 PolarHBondContact OE1-ND2 3.03Š| ||
| 411 | E | 31 | Very low | 31.3 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -163.6 | 129.8 | 160.3 | -116.7 | 147.2 | -149 | 0 | 0 | 109.5 | K409 | K409-E411 IonicContact NZ-OE1 2.66Å; K409-E411 PolarHBondContact NZ-OE1 2.98Å; K409-E411 IonicContact NZ-OE2 3.31Å; K409-E411 PolarHBondContact NZ-OE2 2.87Å | ||
| 412 | D | 27.1 | Very low | 31.8 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -95.2 | 152.8 | 176.3 | -56.3 | -100.5 | 0 | 0 | 0 | 110.8 | ||||
| 413 | E | 34.5 | Very low | 32.3 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | 174.5 | 153.9 | 127.6 | -100.5 | -166.9 | 137.5 | 0 | 0 | 113.9 | |||||
| 414 | A | 31.9 | Very low | 32.2 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | trans | 55.6 | 155.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 415 | G | 33 | Very low | 32.3 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | cis | 127.6 | 67.5 | -8.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 416 | D | 32.3 | Very low | 32.4 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -159.3 | 125 | 161.3 | -112.8 | 5.6 | 0 | 0 | 0 | 103.1 | ||||
| 417 | D | 31.6 | Very low | 32.6 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | cis | 86.4 | 150.9 | 32.8 | -146.1 | 7.6 | 0 | 0 | 0 | 114.4 | ||||
| 418 | D | 33.9 | Very low | 32.9 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | trans | 59.4 | 112.4 | 167 | -92 | -14 | 0 | 0 | 0 | 120.1 | ||||
| 419 | N | 35.7 | Very low | 33 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | 77.5 | 159.6 | 111.3 | -74.6 | 2.6 | 0 | 0 | 0 | 120.4 | |||||
| 420 | E | 33.1 | Very low | 33.3 | Very low | 127 Ų | 127 | 140 Ų | 140 | 59% | 0.593 | 76% | 0.756 | S | S | * | * | cis | -176.1 | 162.9 | -1.7 | 147.6 | -179.7 | -176.3 | 0 | 0 | 110.9 | ||||
| 421 | W | 36.9 | Very low | 33.4 | Very low | 201 Ų | 201 | 138.1 Ų | 138.1 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | 61.1 | 163.6 | 176.7 | -64 | 126.1 | 0 | 0 | 0 | 117.4 | ||||
| 422 | E | 35.1 | Very low | 33.2 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | cis | -139.4 | 147.7 | 5.2 | -146.1 | 147.5 | -132.4 | 0 | 0 | 112.9 | ||||
| 423 | D | 42.5 | Very low | 33.3 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | trans | -85.1 | 147.7 | 164.3 | 178.9 | 18.9 | 0 | 0 | 0 | 109.1 | S425 | D423-S425 PolarHBondContact OD1-OG 3.35Š| ||
| 424 | A | 29.3 | Very low | 33 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -140.4 | 67.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 425 | S | 40 | Very low | 32.7 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -97 | 110.8 | 167.7 | -64.3 | 0 | 0 | 0 | 0 | 110.2 | D423 | D423-S425 PolarHBondContact OD1-OG 3.35Š| ||
| 426 | E | 31.1 | Very low | 32.5 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | -159.8 | 152.7 | 173.9 | -167.6 | 178 | -166.2 | 0 | 0 | 110 | ||||
| 427 | E | 31.6 | Very low | 32.5 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | -165.6 | 131.8 | -50.8 | 177.8 | 171.3 | 151.6 | 0 | 0 | 106.7 | |||||
| 428 | E | 35.5 | Very low | 32.5 | Very low | 164 Ų | 164 | 137 Ų | 137 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | trans | 52.8 | -175.8 | 165.5 | -66.4 | -59 | 142.8 | 0 | 0 | 117.3 | ||||
| 429 | E | 33.4 | Very low | 32.2 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | cis | -141.4 | -170.9 | 0.8 | -148.1 | -110.7 | 110.5 | 0 | 0 | 111.7 | ||||
| 430 | A | 33.1 | Very low | 31.9 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -99.3 | -178.6 | -163 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 431 | G | 28.8 | Very low | 31.9 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | 154.6 | 77.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 432 | D | 26.9 | Very low | 31.5 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | 108.1 | -175.3 | 78 | -157.8 | 68.1 | 0 | 0 | 0 | 112.2 | |||||
| 433 | K | 29.4 | Very low | 31.3 | Very low | 165 Ų | 165 | 139 Ų | 139 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | -122.8 | 149.5 | -138.7 | -56.3 | 170.7 | -165.7 | 74.8 | 0 | 116.6 | ||||
| 434 | S | 27.3 | Very low | 30.7 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | 175.1 | 128.8 | 137 | 33.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 435 | D | 26.1 | Very low | 30.8 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | cis | 92.5 | 150.1 | 17.5 | -158.7 | 36.3 | 0 | 0 | 0 | 117.1 | ||||
| 436 | S | 29.4 | Very low | 30.4 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | 73.5 | 122.5 | -162.8 | 69.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 437 | E | 31.3 | Very low | 31.2 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | 71.6 | 145.4 | 45.8 | -64.6 | -159.9 | 101.2 | 0 | 0 | 113.6 | ||||
| 438 | K | 31.4 | Very low | 32.1 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 70% | 0.7 | 76% | 0.756 | S | S | * | * | cis | -158.2 | 170.2 | 14.3 | -109 | 138 | 176.7 | 143.8 | 0 | 107.8 | ||||
| 439 | K | 28.9 | Very low | 31.6 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | cis | 176.8 | 137.1 | -25.9 | 169 | 174.7 | 173.1 | 178.4 | 0 | 110.4 | ||||
| 440 | D | 29.7 | Very low | 31.5 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | trans | 61.8 | 164.5 | 166.1 | -77 | -46.6 | 0 | 0 | 0 | 118.6 | ||||
| 441 | K | 31.8 | Very low | 31.6 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | cis | -173.8 | 162.8 | -28.4 | -176.8 | 154.4 | -178.5 | 165.8 | 0 | 112.8 | ||||
| 442 | S | 29.5 | Very low | 31.9 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 79.5 | 159.8 | 164.2 | 88.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 443 | K | 30.1 | Very low | 31.9 | Very low | 203 Ų | 203 | 143.2 Ų | 143.2 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | cis | -150.3 | 162.4 | -2 | -156 | 173.4 | 179.2 | 178.4 | 0 | 109.9 | ||||
| 444 | A | 30.6 | Very low | 32.1 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -105 | 149.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 445 | V | 30.7 | Very low | 32.7 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -149.8 | 154.3 | 161.4 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 446 | S | 31.2 | Very low | 33.2 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -161.1 | 177.8 | 176.5 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 447 | P | 48.7 | Very low | 33.5 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | cis | -124.8 | -118.1 | -31.2 | 24 | 0.6 | 0 | 0 | 0 | 113.5 | ||||
| 448 | P | 50.4 | Low | 33.6 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -123.9 | 175.3 | -100.3 | 37.9 | -22 | 0 | 0 | 0 | 117 | |||||
| 449 | S | 25.8 | Very low | 33.7 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -162.9 | 144.8 | 158.4 | -171.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 450 | A | 31.2 | Very low | 33.6 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 156.5 | 150.3 | 142.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 451 | K | 34.3 | Very low | 33.5 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -157.8 | 143.7 | -179.4 | -108.4 | 178.8 | 167.8 | -170.9 | 0 | 114.4 | ||||
| 452 | Q | 36.4 | Very low | 34.3 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | 64.1 | 143 | 146.8 | -63.3 | 174 | -99.7 | 0 | 0 | 123.4 | ||||
| 453 | R | 25.2 | Very low | 34.5 | Very low | 242 Ų | 242 | 143 Ų | 143 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -155.5 | 175 | 145.6 | -136.4 | 159.8 | 79.7 | -167.4 | 5.8 | 113.3 | ||||
| 454 | L | 35.2 | Very low | 34.5 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | trans | -87.4 | 151.1 | -158.5 | -84.8 | 67.8 | 0 | 0 | 0 | 115.3 | ||||
| 455 | Q | 39.3 | Very low | 34.8 | Very low | 158 Ų | 158 | 143 Ų | 143 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | 66.4 | 141 | 72.1 | -68.3 | 173 | -114 | 0 | 0 | 115.4 | |||||
| 456 | E | 35.4 | Very low | 34.7 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 62% | 0.621 | 77% | 0.766 | S | S | * | * | cis | -158.6 | -148.5 | 2.3 | -110.4 | 176.2 | -76 | 0 | 0 | 109.8 | ||||
| 457 | K | 36.4 | Very low | 35.1 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | cis | -168.2 | 170.9 | 8.7 | -146.1 | 168.1 | -74.4 | -78.5 | 0 | 112.5 | ||||
| 458 | T | 33 | Very low | 34.5 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 65.4 | 157.1 | 160.3 | 58.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 459 | A | 34.3 | Very low | 33.6 | Very low | 104 Ų | 104 | 151.1 Ų | 151.1 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | cis | -169.2 | 151.4 | -30.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 460 | G | 27.3 | Very low | 34.3 | Very low | 77 Ų | 77 | 150.4 Ų | 150.4 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | 170.1 | 158.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 461 | R | 27.2 | Very low | 34.6 | Very low | 244 Ų | 244 | 155.3 Ų | 155.3 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -170.8 | -177.1 | -170.7 | -118.4 | -168.3 | 165.7 | -155.9 | -4.4 | 110.9 | ||||
| 462 | P | 47.3 | Very low | 34.8 | Very low | 94 Ų | 94 | 153.5 Ų | 153.5 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | cis | -138.2 | -175.6 | -3.4 | 43.3 | -25.2 | 0 | 0 | 0 | 117.4 | ||||
| 463 | K | 33.8 | Very low | 34.5 | Very low | 169 Ų | 169 | 156.6 Ų | 156.6 | 74% | 0.735 | 76% | 0.763 | S | S | * | * | trans | 65.9 | 141.4 | 151.1 | -81.3 | 178.8 | 173 | -100.1 | 0 | 119.7 | ||||
| 464 | E | 31 | Very low | 35.2 | Very low | 130 Ų | 130 | 152.8 Ų | 152.8 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | cis | -170.6 | -177.7 | -6.2 | -131.5 | 172 | 43.4 | 0 | 0 | 107.8 | ||||
| 465 | Q | 37.2 | Very low | 35.7 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | cis | -135.6 | -95.7 | 5.2 | -68.6 | -159.8 | -19.3 | 0 | 0 | 115.2 | ||||
| 466 | R | 27.2 | Very low | 35.7 | Very low | 198 Ų | 198 | 149.3 Ų | 149.3 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -165.8 | 165.8 | -158.6 | -142 | 151.1 | 174.2 | -126 | -6 | 109.4 | ||||
| 467 | P | 40.1 | Very low | 36.2 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -148.5 | 141.3 | 24.5 | 40.3 | -17.4 | 0 | 0 | 0 | 122.8 | ||||
| 468 | Q | 37.6 | Very low | 36 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | trans | 60.8 | 158 | 143.2 | -55.6 | -163.5 | 68.8 | 0 | 0 | 119.2 | ||||
| 469 | R | 30 | Very low | 35.9 | Very low | 217 Ų | 217 | 146.1 Ų | 146.1 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | cis | -149.9 | -159.3 | 8 | -148 | -175 | 178.4 | -158.4 | -0.2 | 109 | ||||
| 470 | P | 41.1 | Very low | 35.9 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | -83 | -171.2 | -87.9 | 38.1 | -25.1 | 0 | 0 | 0 | 115.6 | |||||
| 471 | K | 37.9 | Very low | 36.2 | Very low | 200 Ų | 200 | 147.3 Ų | 147.3 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -134.2 | 147.2 | 170.4 | -107.8 | 79.2 | 171.6 | 175.7 | 0 | 109.8 | ||||
| 472 | V | 37.4 | Very low | 36.5 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -137.8 | 150.8 | 154.6 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 473 | R | 31.6 | Very low | 35.9 | Very low | 237 Ų | 237 | 140.6 Ų | 140.6 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -135.1 | 134.5 | -173.3 | -152.3 | -178.1 | -167.3 | -174.8 | 3.1 | 108.6 | ||||
| 474 | I | 38 | Very low | 36 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -106.7 | 128.4 | 179.3 | -58.7 | 175.6 | 0 | 0 | 0 | 108.9 | ||||
| 475 | P | 46.2 | Very low | 36 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 157.1 | 173.8 | 35.6 | -33.6 | 0 | 0 | 0 | 112.4 | ||
| 476 | P | 40.3 | Very low | 35.9 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 143.9 | 176.1 | 33.2 | -34.2 | 0 | 0 | 0 | 112.3 | ||
| 477 | P | 45.2 | Very low | 36.3 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89 | 143.7 | 175.2 | 34.4 | -33.3 | 0 | 0 | 0 | 112.7 | ||
| 478 | A | 31.6 | Very low | 36.1 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -148.9 | 146.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 479 | A | 32.7 | Very low | 36.2 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | 59.8 | 101.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 480 | A | 32.5 | Very low | 36.6 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | trans | -134.6 | 142.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 481 | A | 33.6 | Very low | 36.8 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -149.5 | 153.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 482 | A | 34.1 | Very low | 37.1 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | trans | 63.3 | 152.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 483 | A | 36 | Very low | 37.6 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | cis | -164.5 | 177.8 | -25.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 484 | Q | 34.5 | Very low | 38.2 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | cis | -136.2 | -179 | 8.5 | -78.6 | 177.4 | -112.8 | 0 | 0 | 111.2 | ||||
| 485 | E | 31.9 | Very low | 38.7 | Very low | 162 Ų | 162 | 121.3 Ų | 121.3 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | 6.8 | 125.3 | 151.1 | -68.1 | 142.2 | -110.9 | 0 | 0 | 121.5 | ||||
| 486 | S | 34.8 | Very low | 38.7 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | -174.6 | -178.2 | 112.2 | 43.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 487 | S | 35.5 | Very low | 39 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -80.9 | 142.1 | -165.1 | 51.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 488 | G | 36.7 | Very low | 39 | Very low | 70 Ų | 70 | 125.7 Ų | 125.7 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 144.9 | 127 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 489 | K | 38.6 | Very low | 39.8 | Very low | 216 Ų | 216 | 129.4 Ų | 129.4 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | 52.3 | 125.6 | 145.6 | -62.3 | 173.9 | 179.5 | 174.9 | 0 | 119.9 | ||||
| 490 | G | 39.3 | Very low | 40.8 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 94.1 | 80 | 146.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 491 | K | 45.2 | Very low | 41.3 | Very low | 197 Ų | 197 | 132.5 Ų | 132.5 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 136.6 | 141.6 | -97.1 | 75.5 | 174 | -174.5 | 0 | 107.7 | ||
| 492 | P | 43.7 | Very low | 41.6 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68 | 135 | 163.4 | 29.5 | -32.3 | 0 | 0 | 0 | 109.2 | ||
| 493 | P | 47.4 | Very low | 42.8 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 151.4 | 173.6 | 29.3 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 494 | S | 45.1 | Very low | 44.3 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66 | 148.4 | 175.6 | -155.9 | 0 | 0 | 0 | 0 | 110.8 | L496 | S494-L496 PolarHBondContact O-N 2.96Š|
| 495 | P | 48.7 | Very low | 45.2 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -77.8 | 57 | -176.4 | 33.9 | -37.9 | 0 | 0 | 0 | 113.2 | ||
| 496 | L | 45.7 | Very low | 46.6 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -113.9 | 93.3 | 167.2 | -70.1 | 172.8 | 0 | 0 | 0 | 107.4 | S494 | S494-L496 PolarHBondContact O-N 2.96Š| ||
| 497 | F | 45.8 | Very low | 48 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -77.1 | 150.6 | 178.4 | -81.5 | -84.7 | 0 | 0 | 0 | 111.9 | ||||
| 498 | S | 46.2 | Very low | 49.6 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | trans | -66.7 | 151.1 | -168.8 | -49.8 | 0 | 0 | 0 | 0 | 114.4 | E500 | S498-E500 PolarHBondContact O-N 3.48Š| ||
| 499 | L | 48.8 | Very low | 51.4 | Low | 179 Ų | 179 | 136.3 Ų | 136.3 | 94% | 0.937 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 13.2 | -176.5 | -155.7 | 67.9 | 0 | 0 | 0 | 115.2 | ||
| 500 | E | 52.1 | Low | 52.6 | Low | 179 Ų | 179 | 131.6 Ų | 131.6 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 11.1 | -160.5 | -157.3 | 59.4 | -120.5 | 0 | 0 | 114.1 | S498 | S498-E500 PolarHBondContact O-N 3.48Š|
| 501 | S | 43.9 | Very low | 54 | Low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | trans | -127.8 | 6 | 177.3 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | R503 | S501-R503 PolarHBondContact O-N 2.96Š| ||
| 502 | H | 40.3 | Very low | 55.1 | Low | 165 Ų | 165 | 129 Ų | 129 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | trans | -80.6 | 85.8 | 177.3 | -146.2 | -45 | 0 | 0 | 0 | 110 | ||||
| 503 | R | 59.4 | Low | 56.3 | Low | 228 Ų | 228 | 130.7 Ų | 130.7 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 130.9 | 152.5 | -86.9 | -171.6 | 171.9 | -169.7 | -3.7 | 106.9 | S501 | S501-R503 PolarHBondContact O-N 2.96Š|
| 504 | P | 65.6 | Low | 56.9 | Low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 141.4 | 163.1 | 27.4 | -32.4 | 0 | 0 | 0 | 107.6 | S506 | P504-S506 PolarHBondContact O-N 3.46Š|
| 505 | V | 53.4 | Low | 57.1 | Low | 122 Ų | 122 | 133.3 Ų | 133.3 | 74% | 0.739 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 123.6 | 163.5 | 177.6 | 0 | 0 | 0 | 0 | 105.5 | D507 | V505-D507 PolarHBondContact O-N 2.81Š|
| 506 | S | 62.3 | Low | 57.8 | Low | 70 Ų | 70 | 130.9 Ų | 130.9 | 49% | 0.49 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 138.8 | 174.3 | -63.7 | 0 | 0 | 0 | 0 | 109.4 | P504 W508 | P504-S506 PolarHBondContact O-N 3.46Å; S506-W508 PolarHBondContact O-N 3.23Å |
| 507 | D | 63.1 | Low | 58.4 | Low | 94 Ų | 94 | 130 Ų | 130 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 130 | 173.5 | -163.8 | -32.3 | 0 | 0 | 0 | 107.5 | V505 G509 E510 E511 | V505-D507 PolarHBondContact O-N 2.81Å; D507-G509 PolarHBondContact O-N 2.82Å; D507-G509 VanDerWaalsContact O-N 3.09Å; D507-G509 PolarHBondContact OD1-N 3.39Å; D507-E510 HydrophobicContact CB-CB 4.22Å; D507-E510 WeakPolarHBondContact O-CB 3.44Å; D507-E510 PolarHBondContact O-N 3.24Å; D507-E511 PolarHBondContact O-N 3.33Å; D507-E511 VanDerWaalsContact O-N 3.11Å |
| 508 | W | 69.9 | Low | 58.3 | Low | 188 Ų | 188 | 130.8 Ų | 130.8 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -61.8 | -19.4 | 178.3 | -76.1 | 74.3 | 0 | 0 | 0 | 111.2 | S506 M512 | S506-W508 PolarHBondContact O-N 3.23Å; W508-M512 VanDerWaalsContact O-CB 3.29Å; W508-M512 WeakPolarHBondContact O-CB 3.22Å; W508-M512 WeakPolarHBondContact O-CG 3.33Å; W508-M512 PolarHBondContact O-N 2.82Å |
| 509 | G | 75.5 | Confident | 58 | Low | 43 Ų | 43 | 130.7 Ų | 130.7 | 44% | 0.443 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -66.8 | -42.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D507 M512 E513 | D507-G509 PolarHBondContact O-N 2.82Å; D507-G509 VanDerWaalsContact O-N 3.09Å; D507-G509 PolarHBondContact OD1-N 3.39Å; G509-M512 PolarHBondContact O-N 3.3Å; G509-E513 WeakPolarHBondContact O-CB 3.3Å; G509-E513 PolarHBondContact O-N 3.25Å |
| 510 | E | 63.7 | Low | 57.8 | Low | 117 Ų | 117 | 127.8 Ų | 127.8 | 55% | 0.547 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -70.7 | -40.4 | -178.5 | -173.3 | 179.7 | -171.2 | 0 | 0 | 111.5 | D507 E513 M514 | D507-E510 HydrophobicContact CB-CB 4.22Å; D507-E510 WeakPolarHBondContact O-CB 3.44Å; D507-E510 PolarHBondContact O-N 3.24Å; E510-E513 PolarHBondContact O-N 3.13Å; E510-M514 WeakPolarHBondContact O-CB 3.4Å; E510-M514 VanDerWaalsContact O-CG 3.32Å; E510-M514 WeakPolarHBondContact O-CG 3.28Å; E510-M514 PolarHBondContact O-N 2.81Å |
| 511 | E | 68.3 | Low | 57.5 | Low | 90 Ų | 90 | 127 Ų | 127 | 42% | 0.421 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.4 | -44.5 | 174.2 | -169 | 166.6 | -165.9 | 0 | 0 | 111.2 | D507 E513 M514 Q515 | D507-E511 PolarHBondContact O-N 3.33Å; D507-E511 VanDerWaalsContact O-N 3.11Å; E511-E513 PolarHBondContact O-N 2.96Å; E511-M514 PolarHBondContact O-N 3.41Å; E511-Q515 VanDerWaalsContact CG-OE1 3.28Å; E511-Q515 VanDerWaalsContact O-CD 3.25Å; E511-Q515 PolarHBondContact O-N 2.58Å; E511-Q515 PolarHBondContact O-NE2 2.6Å; E511-Q515 PolarHBondContact O-OE1 2.95Å |
| 512 | M | 68.3 | Low | 57.5 | Low | 128 Ų | 128 | 125.8 Ų | 125.8 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.8 | -29.1 | 176.6 | -70.6 | -74.8 | -75.1 | 0 | 0 | 113.6 | W508 G509 S516 | W508-M512 VanDerWaalsContact O-CB 3.29Å; W508-M512 WeakPolarHBondContact O-CB 3.22Å; W508-M512 WeakPolarHBondContact O-CG 3.33Å; W508-M512 PolarHBondContact O-N 2.82Å; G509-M512 PolarHBondContact O-N 3.3Å; M512-S516 WeakPolarHBondContact O-CB 3.13Å; M512-S516 PolarHBondContact O-N 3.41Å; M512-S516 PolarHBondContact O-OG 2.84Å |
| 513 | E | 68.6 | Low | 57.7 | Low | 153 Ų | 153 | 121.3 Ų | 121.3 | 72% | 0.715 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69 | -45.3 | 171.7 | -173.6 | 160 | -146.1 | 0 | 0 | 110.4 | G509 E510 E511 Q515 S516 | G509-E513 WeakPolarHBondContact O-CB 3.3Å; G509-E513 PolarHBondContact O-N 3.25Å; E510-E513 PolarHBondContact O-N 3.13Å; E511-E513 PolarHBondContact O-N 2.96Å; E513-Q515 VanDerWaalsContact C-N 3.29Å; E513-Q515 PolarHBondContact O-N 3.05Å; E513-S516 PolarHBondContact O-N 2.81Å |
| 514 | M | 60.4 | Low | 56.8 | Low | 148 Ų | 148 | 119.2 Ų | 119.2 | 73% | 0.729 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.4 | -15 | 177.5 | -70.2 | -66.8 | -69.8 | 0 | 0 | 114.7 | E510 E511 | E510-M514 WeakPolarHBondContact O-CB 3.4Å; E510-M514 VanDerWaalsContact O-CG 3.32Å; E510-M514 WeakPolarHBondContact O-CG 3.28Å; E510-M514 PolarHBondContact O-N 2.81Å; E511-M514 PolarHBondContact O-N 3.41Å |
| 515 | Q | 49.5 | Very low | 55.4 | Low | 123 Ų | 123 | 119.3 Ų | 119.3 | 58% | 0.575 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -105.7 | -2.9 | 172.3 | -86 | 82.8 | 101 | 0 | 0 | 113.4 | E511 E513 P517 | E511-Q515 VanDerWaalsContact CG-OE1 3.28Å; E511-Q515 VanDerWaalsContact O-CD 3.25Å; E511-Q515 PolarHBondContact O-N 2.58Å; E511-Q515 PolarHBondContact O-NE2 2.6Å; E511-Q515 PolarHBondContact O-OE1 2.95Å; E513-Q515 VanDerWaalsContact C-N 3.29Å; E513-Q515 PolarHBondContact O-N 3.05Å; Q515-P517 WeakPolarHBondContact O-CD 3.49Å |
| 516 | S | 62 | Low | 54.7 | Low | 59 Ų | 59 | 119.8 Ų | 119.8 | 41% | 0.413 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -72.3 | 125 | 175 | -78.1 | 0 | 0 | 0 | 0 | 110.9 | M512 E513 R518 | M512-S516 WeakPolarHBondContact O-CB 3.13Å; M512-S516 PolarHBondContact O-N 3.41Å; M512-S516 PolarHBondContact O-OG 2.84Å; E513-S516 PolarHBondContact O-N 2.81Å; S516-R518 PolarHBondContact O-N 2.65Å |
| 517 | P | 58.4 | Low | 53.4 | Low | 136 Ų | 136 | 124.3 Ų | 124.3 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | trans | -76.4 | 64.5 | 175.2 | 32.1 | -35.6 | 0 | 0 | 0 | 111 | Q515 | Q515-P517 WeakPolarHBondContact O-CD 3.49Š| ||
| 518 | R | 45 | Very low | 52.5 | Low | 215 Ų | 215 | 129.1 Ų | 129.1 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | trans | -123.1 | 87.4 | 179.8 | -60.9 | -169.3 | 94 | 139.7 | 4.7 | 110.6 | S516 | S516-R518 PolarHBondContact O-N 2.65Š| ||
| 519 | S | 39.6 | Very low | 51.2 | Low | 93 Ų | 93 | 126.3 Ų | 126.3 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | trans | 39.3 | 106.6 | 155.7 | 57.5 | 0 | 0 | 0 | 0 | 117.8 | M521 | S519-M521 VanDerWaalsContact C-N 3.28Å; S519-M521 PolarHBondContact O-N 2.66Å | ||
| 520 | S | 43.4 | Very low | 49.1 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | -60.5 | 95.1 | 149 | -177 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 521 | M | 46.1 | Very low | 47.6 | Very low | 162 Ų | 162 | 130 Ų | 130 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | trans | -136 | 47.5 | 171.7 | -77.3 | -88.5 | 71.4 | 0 | 0 | 108.8 | S519 | S519-M521 VanDerWaalsContact C-N 3.28Å; S519-M521 PolarHBondContact O-N 2.66Å | ||
| 522 | G | 45.3 | Very low | 46 | Very low | 78 Ų | 78 | 132 Ų | 132 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -135.3 | 13.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 523 | A | 44.8 | Very low | 44.4 | Very low | 71 Ų | 71 | 135.1 Ų | 135.1 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -142.9 | 137.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 524 | E | 40.3 | Very low | 42.6 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 57.5 | 103.3 | 157.5 | -60.3 | 179.9 | 172.1 | 0 | 0 | 118.4 | P526 | E524-P526 WeakPolarHBondContact O-CD 3.05Š| ||
| 525 | S | 36.1 | Very low | 41.2 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -60.1 | 125 | 161.6 | -61.2 | 0 | 0 | 0 | 0 | 111 | L527 | S525-L527 PolarHBondContact O-N 3.47Å; S525-L527 VanDerWaalsContact O-N 3.13Å | ||
| 526 | P | 38.4 | Very low | 40.9 | Very low | 133 Ų | 133 | 131 Ų | 131 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -63.3 | 115.8 | 167.2 | -19.3 | 32.5 | 0 | 0 | 0 | 109.4 | E524 | E524-P526 WeakPolarHBondContact O-CD 3.05Š| ||
| 527 | L | 34.7 | Very low | 40.1 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 156.3 | 178.7 | -75 | 167.7 | 0 | 0 | 0 | 111.6 | S525 | S525-L527 PolarHBondContact O-N 3.47Å; S525-L527 VanDerWaalsContact O-N 3.13Å |
| 528 | K | 43.4 | Very low | 38.8 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 145 | 176 | -60.2 | 173.3 | -178 | 176.3 | 0 | 110.5 | ||
| 529 | P | 43.8 | Very low | 38.1 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 144.8 | 174.8 | 27.4 | -34.9 | 0 | 0 | 0 | 111.1 | ||
| 530 | S | 30.3 | Very low | 37.9 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 143.2 | 177.9 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 531 | S | 32.3 | Very low | 37.3 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | -143.1 | 136.9 | 156.3 | -75.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 532 | T | 35.6 | Very low | 36.6 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -90 | 133.9 | -164.1 | 46.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 533 | E | 33.6 | Very low | 36.1 | Very low | 192 Ų | 192 | 146 Ų | 146 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | 37.9 | 102 | 132.4 | -165.3 | 178 | 131.4 | 0 | 0 | 118.5 | ||||
| 534 | S | 31.2 | Very low | 35.4 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | -156.2 | 145.8 | 130.3 | -154.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 535 | S | 31.7 | Very low | 35 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -142.3 | 141.1 | 172.3 | -178.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 536 | P | 43 | Very low | 34.8 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | -147.9 | -158.5 | 108.9 | 44.5 | -26.5 | 0 | 0 | 0 | 111.7 | |||||
| 537 | P | 44.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | -134.2 | -167.6 | -101.9 | 40.1 | -18 | 0 | 0 | 0 | 116 | |||||
| 538 | Q | 32.5 | Very low | 34.3 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -49.9 | 146.1 | -172.5 | -51.7 | 167.2 | -69.6 | 0 | 0 | 118.7 | ||||
| 539 | R | 30.5 | Very low | 34 | Very low | 241 Ų | 241 | 137.7 Ų | 137.7 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -163.6 | 128.4 | 136.9 | -95.5 | 153.5 | -167.7 | -91.6 | 2.1 | 106.1 | ||||
| 540 | K | 34.3 | Very low | 34.3 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 71% | 0.709 | 82% | 0.819 | S | S | * | * | cis | 81.3 | 110.2 | 42.7 | -139.8 | -172 | -171.2 | -81.8 | 0 | 113.7 | ||||
| 541 | E | 31.3 | Very low | 34.3 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 70% | 0.696 | 82% | 0.817 | S | S | * | * | trans | 52.1 | 124.1 | 159 | -67.7 | 149.3 | 160.4 | 0 | 0 | 121.5 | ||||
| 542 | S | 30.8 | Very low | 34.1 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | -170.9 | 167 | 121.6 | -79 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 543 | Q | 34.5 | Very low | 34.1 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -105.4 | 173.7 | -177.5 | -61.9 | 174.1 | -75.9 | 0 | 0 | 112.8 | ||||
| 544 | D | 31.8 | Very low | 34.7 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | 86.7 | 156.8 | 145.9 | -159.2 | 28.4 | 0 | 0 | 0 | 119.3 | ||||
| 545 | G | 30.8 | Very low | 34.9 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | 118.2 | 61.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 546 | G | 31.1 | Very low | 34.9 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 62.7 | 114.4 | 130.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 547 | A | 33.3 | Very low | 34.5 | Very low | 113 Ų | 113 | 135 Ų | 135 | 93% | 0.934 | 82% | 0.82 | S | S | * | * | trans | 42.8 | 134 | 132.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 548 | G | 30.3 | Very low | 34 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -178.2 | 52.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 549 | E | 36.8 | Very low | 34.1 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -97.6 | 150.2 | 159.5 | -117.6 | -157.1 | 144.3 | 0 | 0 | 109.1 | ||||
| 550 | P | 50.4 | Low | 35 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | -149.8 | 149.6 | 75.2 | 38.5 | -19.9 | 0 | 0 | 0 | 118.2 | |||||
| 551 | G | 29.9 | Very low | 35 | Very low | 70 Ų | 70 | 122.2 Ų | 122.2 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | 47.5 | 127.3 | 123.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 552 | G | 29.1 | Very low | 35.4 | Very low | 78 Ų | 78 | 119.3 Ų | 119.3 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 178 | 86 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 553 | T | 35.2 | Very low | 35.5 | Very low | 139 Ų | 139 | 119.9 Ų | 119.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -129.5 | 149 | 153.8 | 66.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 554 | P | 46.1 | Very low | 35.8 | Very low | 127 Ų | 127 | 116.7 Ų | 116.7 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | -138.4 | -176.7 | 76 | 39.5 | -23.5 | 0 | 0 | 0 | 115.1 | |||||
| 555 | A | 34.5 | Very low | 36.1 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -54.2 | 161.6 | -175 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 556 | D | 32 | Very low | 36.6 | Very low | 164 Ų | 164 | 120.5 Ų | 120.5 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | -139.7 | 166.6 | 125 | -148.6 | -21.1 | 0 | 0 | 0 | 109.8 | |||||
| 557 | E | 35.8 | Very low | 37.1 | Very low | 176 Ų | 176 | 124.6 Ų | 124.6 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -96.1 | 179.8 | -170.3 | -70.8 | -163.9 | 99.1 | 0 | 0 | 115.3 | ||||
| 558 | S | 33.1 | Very low | 37.6 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 71.9 | 102.1 | 145.5 | 175.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 559 | A | 35.3 | Very low | 38.6 | Very low | 103 Ų | 103 | 127 Ų | 127 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -155.4 | 115.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 560 | P | 47.7 | Very low | 39.1 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -121.5 | 137.3 | 164.5 | 35.8 | -24.1 | 0 | 0 | 0 | 114 | ||||
| 561 | A | 34.9 | Very low | 38.8 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | trans | 72.3 | 177.2 | 157 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 562 | A | 39.3 | Very low | 39.2 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 72% | 0.719 | 84% | 0.836 | S | S | * | * | trans | -60.6 | 174.3 | -166 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 563 | D | 34.5 | Very low | 39.8 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 84% | 0.837 | S | S | * | * | cis | -158.8 | 177.2 | 29.3 | -147.5 | -0.3 | 0 | 0 | 0 | 116.7 | ||||
| 564 | I | 39 | Very low | 40 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 65% | 0.646 | 84% | 0.837 | S | S | * | * | trans | -24.3 | 149.2 | 168.7 | -74 | 159.2 | 0 | 0 | 0 | 119.6 | ||||
| 565 | Q | 39.1 | Very low | 39.7 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 71% | 0.71 | 84% | 0.837 | S | S | * | * | trans | 106.5 | 117.3 | 145.7 | -103.9 | 164.5 | -50.2 | 0 | 0 | 123.4 | ||||
| 566 | E | 41.8 | Very low | 40 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.762 | 84% | 0.84 | S | S | * | * | 98.8 | 147.5 | 125.5 | -112.2 | 158.2 | -122.5 | 0 | 0 | 123.1 | |||||
| 567 | N | 40.7 | Very low | 40.5 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | trans | -99.6 | 129.1 | -177 | -54.3 | -88.6 | 0 | 0 | 0 | 109.8 | ||||
| 568 | A | 43.2 | Very low | 40.9 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | trans | -147 | 126.6 | 154 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 569 | T | 51.9 | Low | 41.5 | Very low | 140 Ų | 140 | 138 Ų | 138 | 86% | 0.859 | 84% | 0.844 | S | S | * | * | trans | -97.7 | 127.8 | 177.4 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 570 | E | 47.8 | Very low | 42 | Very low | 193 Ų | 193 | 140.9 Ų | 140.9 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | trans | -156.1 | 134.9 | 150.9 | -130 | 169 | -163.2 | 0 | 0 | 112.1 | ||||
| 571 | S | 43.8 | Very low | 41.5 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 100% | 1.378 | 85% | 0.852 | S | S | * | * | trans | 62.8 | 0 | -179.2 | -54.8 | 0 | 0 | 0 | 0 | 117.1 |
Retrieved 571 of 571 residues in 90.8 ms
(Link to these results)