| 1 | M | 48.5 | Very low | 57.1 | Low | 243 Ų | 243 | 134.9 Ų | 134.9 | 100% | 1.197 | 71% | 0.71 | S | S | * | * | | | | 0 | 113.6 | 0 | -79.2 | -177.7 | 165.5 | 0 | 0 | 108 | | |
| 2 | E | 51.4 | Low | 58.2 | Low | 193 Ų | 193 | 133.5 Ų | 133.5 | 90% | 0.902 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 149.4 | 170.9 | -60.2 | -174.1 | 143.8 | 0 | 0 | 109.3 | | |
| 3 | R | 55.4 | Low | 59.6 | Low | 231 Ų | 231 | 131.9 Ų | 131.9 | 87% | 0.872 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -88 | 129.2 | 177.3 | -63.7 | -178.4 | -176.4 | 177.2 | 1.2 | 108.5 | T5 | R3-T5 PolarHBondContact O-N 3.37Š|
| 4 | P | 56.2 | Low | 61.1 | Low | 129 Ų | 129 | 126.6 Ų | 126.6 | 84% | 0.838 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -61 | 126.4 | 175.7 | 25.5 | -33.2 | 0 | 0 | 0 | 109.7 | T6 | P4-T6 PolarHBondContact O-N 3.36Š|
| 5 | T | 54.6 | Low | 62.7 | Low | 109 Ų | 109 | 126.1 Ų | 126.1 | 67% | 0.669 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 127.4 | -177.7 | 36.6 | 0 | 0 | 0 | 0 | 110.8 | R3 S7 N8 | R3-T5 PolarHBondContact O-N 3.37Å; T5-S7 PolarHBondContact O-N 3.37Å; T5-N8 PolarHBondContact O-N 3.14Å; T5-N8 VanDerWaalsContact O-N 3.13Å |
| 6 | T | 60.5 | Low | 64.3 | Low | 125 Ų | 125 | 125.4 Ų | 125.4 | 77% | 0.767 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -56.6 | -21.3 | -179.3 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | P4 N8 M9 | P4-T6 PolarHBondContact O-N 3.36Å; T6-N8 PolarHBondContact O-N 3.34Å; T6-M9 PolarHBondContact O-N 3.39Å |
| 7 | S | 57.7 | Low | 65.8 | Low | 84 Ų | 84 | 124.5 Ų | 124.5 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -48.4 | -40.6 | 171.8 | -170.5 | 0 | 0 | 0 | 0 | 113.4 | T5 M9 M10 P11 | T5-S7 PolarHBondContact O-N 3.37Å; S7-M9 PolarHBondContact O-N 3.33Å; S7-M9 VanDerWaalsContact O-N 3.09Å; S7-M10 PolarHBondContact O-N 2.98Å; S7-P11 WeakPolarHBondContact O-CD 3.27Å |
| 8 | N | 56.8 | Low | 67.3 | Low | 105 Ų | 105 | 123 Ų | 123 | 56% | 0.561 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -71.5 | -4.7 | -177.8 | -160.6 | 8 | 0 | 0 | 0 | 114 | T5 T6 | T5-N8 PolarHBondContact O-N 3.14Å; T5-N8 VanDerWaalsContact O-N 3.13Å; T6-N8 PolarHBondContact O-N 3.34Å |
| 9 | M | 58.5 | Low | 68.6 | Low | 99 Ų | 99 | 122.4 Ų | 122.4 | 49% | 0.488 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -101 | -6.4 | 177.3 | -63.3 | -93 | 66.2 | 0 | 0 | 113.5 | T6 S7 K12 R13 | T6-M9 PolarHBondContact O-N 3.39Å; S7-M9 PolarHBondContact O-N 3.33Å; S7-M9 VanDerWaalsContact O-N 3.09Å; M9-K12 HydrophobicContact CE-CD 4.24Å; M9-R13 PolarHBondContact O-NH1 3.35Å |
| 10 | M | 59.3 | Low | 69.8 | Low | 98 Ų | 98 | 122 Ų | 122 | 48% | 0.483 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -83.2 | -54.6 | 176 | -62.6 | -58.6 | -62.9 | 0 | 0 | 112.2 | S7 K12 R13 D14 | S7-M10 PolarHBondContact O-N 2.98Å; M10-K12 PolarHBondContact O-N 2.88Å; M10-K12 VanDerWaalsContact O-N 3.09Å; M10-R13 PolarHBondContact O-N 2.94Å; M10-D14 PolarHBondContact O-N 3.23Å |
| 11 | P | 69.3 | Low | 71 | Confident | 68 Ų | 68 | 120.6 Ų | 120.6 | 44% | 0.442 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -56.7 | -35.7 | -175.7 | -25.9 | 34.6 | 0 | 0 | 0 | 114 | S7 D14 Q15 | S7-P11 WeakPolarHBondContact O-CD 3.27Å; P11-D14 PolarHBondContact O-N 3.29Å; P11-Q15 WeakPolarHBondContact O-CB 3.49Å; P11-Q15 VanDerWaalsContact O-CG 3.23Å; P11-Q15 WeakPolarHBondContact O-CG 3.44Å; P11-Q15 PolarHBondContact O-N 3.24Å |
| 12 | K | 70.2 | Confident | 73.3 | Confident | 118 Ų | 118 | 113.5 Ų | 113.5 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.7 | -38.3 | 178 | -60 | -170.7 | 179.4 | -167.4 | 0 | 112.7 | M9 M10 E16 | M9-K12 HydrophobicContact CE-CD 4.24Å; M10-K12 PolarHBondContact O-N 2.88Å; M10-K12 VanDerWaalsContact O-N 3.09Å; K12-E16 WeakPolarHBondContact O-CB 3.39Å; K12-E16 PolarHBondContact O-N 3.34Å |
| 13 | R | 76 | Confident | 75.5 | Confident | 113 Ų | 113 | 111.7 Ų | 111.7 | 43% | 0.426 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -78.9 | -23.1 | 179.7 | -157.3 | -176.1 | -65.9 | 101.7 | -1.9 | 112.1 | M9 M10 R17 | M9-R13 PolarHBondContact O-NH1 3.35Å; M10-R13 PolarHBondContact O-N 2.94Å; R13-R17 PolarHBondContact O-N 3.36Å |
| 14 | D | 81.3 | Confident | 77.5 | Confident | 57 Ų | 57 | 107.3 Ų | 107.3 | 31% | 0.305 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76.6 | -43.6 | 169.3 | -63.9 | -47.5 | 0 | 0 | 0 | 110.9 | M10 P11 E16 R17 D18 | M10-D14 PolarHBondContact O-N 3.23Å; P11-D14 PolarHBondContact O-N 3.29Å; D14-E16 VanDerWaalsContact C-N 3.31Å; D14-E16 PolarHBondContact O-N 3.33Å; D14-R17 PolarHBondContact O-N 3.49Å; D14-R17 VanDerWaalsContact O-N 3.16Å; D14-R17 IonicContact OD1-CZ 3.52Å; D14-R17 IonicContact OD1-NH1 2.95Å; D14-R17 PolarHBondContact OD1-NH1 3.37Å; D14-R17 IonicContact OD1-NH2 2.71Å; D14-R17 PolarHBondContact OD1-NH2 2.87Å; D14-D18 PolarHBondContact O-N 2.95Å |
| 15 | Q | 85.4 | Confident | 79.4 | Confident | 119 Ų | 119 | 104.5 Ų | 104.5 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.4 | -40.1 | 170.5 | -75.6 | 169 | -21 | 0 | 0 | 113 | P11 D18 L19 | P11-Q15 WeakPolarHBondContact O-CB 3.49Å; P11-Q15 VanDerWaalsContact O-CG 3.23Å; P11-Q15 WeakPolarHBondContact O-CG 3.44Å; P11-Q15 PolarHBondContact O-N 3.24Å; Q15-D18 PolarHBondContact O-N 3.02Å; Q15-L19 WeakPolarHBondContact O-CG 3.41Å; Q15-L19 PolarHBondContact O-N 3.31Å |
| 16 | E | 87.3 | Confident | 81.4 | Confident | 115 Ų | 115 | 103.6 Ų | 103.6 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 174.9 | -174.3 | 168.1 | -134.8 | 0 | 0 | 111.5 | K12 D14 L19 E20 | K12-E16 WeakPolarHBondContact O-CB 3.39Å; K12-E16 PolarHBondContact O-N 3.34Å; D14-E16 VanDerWaalsContact C-N 3.31Å; D14-E16 PolarHBondContact O-N 3.33Å; E16-L19 PolarHBondContact O-N 3.17Å; E16-E20 WeakPolarHBondContact O-CG 3.22Å; E16-E20 PolarHBondContact O-N 2.72Å |
| 17 | R | 89.8 | Confident | 83.1 | Confident | 111 Ų | 111 | 99.6 Ų | 99.6 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -35.1 | 173.3 | -79.2 | -162.6 | -101.6 | 80.2 | 2.1 | 113.6 | R13 D14 L19 E20 L21 | R13-R17 PolarHBondContact O-N 3.36Å; D14-R17 PolarHBondContact O-N 3.49Å; D14-R17 VanDerWaalsContact O-N 3.16Å; D14-R17 IonicContact OD1-CZ 3.52Å; D14-R17 IonicContact OD1-NH1 2.95Å; D14-R17 PolarHBondContact OD1-NH1 3.37Å; D14-R17 IonicContact OD1-NH2 2.71Å; D14-R17 PolarHBondContact OD1-NH2 2.87Å; R17-L19 VanDerWaalsContact C-N 3.33Å; R17-E20 WeakPolarHBondContact O-CB 3.25Å; R17-E20 PolarHBondContact O-N 3.49Å; R17-L21 VanDerWaalsContact O-CG 3.31Å; R17-L21 WeakPolarHBondContact O-CG 3.26Å; R17-L21 PolarHBondContact O-N 2.95Å |
| 18 | D | 93 | Very high | 85 | Confident | 97 Ų | 97 | 99.9 Ų | 99.9 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 175 | -69.3 | -25.4 | 0 | 0 | 0 | 110.9 | D14 Q15 L21 D22 | D14-D18 PolarHBondContact O-N 2.95Å; Q15-D18 PolarHBondContact O-N 3.02Å; D18-L21 WeakPolarHBondContact O-CB 3.49Å; D18-L21 PolarHBondContact O-N 3.4Å; D18-D22 PolarHBondContact O-N 3.05Å |
| 19 | L | 92.7 | Very high | 86.9 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 59% | 0.586 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.5 | -37 | 173.4 | -68.4 | 170.4 | 0 | 0 | 0 | 112.9 | Q15 E16 R17 D22 K23 | Q15-L19 WeakPolarHBondContact O-CG 3.41Å; Q15-L19 PolarHBondContact O-N 3.31Å; E16-L19 PolarHBondContact O-N 3.17Å; R17-L19 VanDerWaalsContact C-N 3.33Å; L19-D22 PolarHBondContact O-N 2.75Å; L19-K23 WeakPolarHBondContact O-CB 3.39Å; L19-K23 VanDerWaalsContact O-CG 3.32Å; L19-K23 WeakPolarHBondContact O-CG 3.32Å; L19-K23 PolarHBondContact O-N 3.19Å |
| 20 | E | 92.1 | Very high | 88.7 | Confident | 114 Ų | 114 | 104.9 Ų | 104.9 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 170.6 | -72.1 | 173.9 | -177.5 | 0 | 0 | 112 | E16 R17 K23 K24 | E16-E20 WeakPolarHBondContact O-CG 3.22Å; E16-E20 PolarHBondContact O-N 2.72Å; R17-E20 WeakPolarHBondContact O-CB 3.25Å; R17-E20 PolarHBondContact O-N 3.49Å; E20-K23 PolarHBondContact O-N 2.9Å; E20-K24 VanDerWaalsContact O-CB 3.26Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 PolarHBondContact O-N 3.36Å |
| 21 | L | 96.1 | Very high | 90.6 | Very high | 92 Ų | 92 | 106.8 Ų | 106.8 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 176.7 | -72.7 | 173.2 | 0 | 0 | 0 | 111.3 | R17 D18 K24 I25 | R17-L21 VanDerWaalsContact O-CG 3.31Å; R17-L21 WeakPolarHBondContact O-CG 3.26Å; R17-L21 PolarHBondContact O-N 2.95Å; D18-L21 WeakPolarHBondContact O-CB 3.49Å; D18-L21 PolarHBondContact O-N 3.4Å; L21-K24 CarbonylContact O-C 3.6Å; L21-K24 WeakPolarHBondContact O-CB 3.34Å; L21-K24 PolarHBondContact O-N 3.36Å; L21-I25 WeakPolarHBondContact O-CB 3.42Å; L21-I25 WeakPolarHBondContact O-CD1 3.49Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3.13Å |
| 22 | D | 95.9 | Very high | 91.9 | Very high | 94 Ų | 94 | 108 Ų | 108 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 175.8 | -91.2 | -28.5 | 0 | 0 | 0 | 112.3 | D18 L19 K24 I25 E26 | D18-D22 PolarHBondContact O-N 3.05Å; L19-D22 PolarHBondContact O-N 2.75Å; D22-K24 VanDerWaalsContact C-N 3.27Å; D22-K24 PolarHBondContact O-N 2.91Å; D22-I25 PolarHBondContact O-N 2.98Å; D22-E26 WeakPolarHBondContact O-CB 3.44Å; D22-E26 PolarHBondContact O-N 2.92Å |
| 23 | K | 96.9 | Very high | 93.2 | Very high | 156 Ų | 156 | 107.2 Ų | 107.2 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -55.1 | -42.9 | 171.2 | -76.2 | 175.1 | 178.9 | -178.9 | 0 | 111.5 | L19 E20 E26 A27 | L19-K23 WeakPolarHBondContact O-CB 3.39Å; L19-K23 VanDerWaalsContact O-CG 3.32Å; L19-K23 WeakPolarHBondContact O-CG 3.32Å; L19-K23 PolarHBondContact O-N 3.19Å; E20-K23 PolarHBondContact O-N 2.9Å; K23-E26 PolarHBondContact O-N 3.01Å; K23-A27 WeakPolarHBondContact O-CB 3.27Å; K23-A27 PolarHBondContact O-N 3.39Å |
| 24 | K | 97.8 | Very high | 94.1 | Very high | 139 Ų | 139 | 104.4 Ų | 104.4 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.3 | -38.2 | 178.2 | -173.7 | 175.1 | -176 | 173 | 0 | 112.5 | E20 L21 D22 L28 | E20-K24 VanDerWaalsContact O-CB 3.26Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 PolarHBondContact O-N 3.36Å; L21-K24 CarbonylContact O-C 3.6Å; L21-K24 WeakPolarHBondContact O-CB 3.34Å; L21-K24 PolarHBondContact O-N 3.36Å; D22-K24 VanDerWaalsContact C-N 3.27Å; D22-K24 PolarHBondContact O-N 2.91Å; K24-L28 WeakPolarHBondContact O-CG 3.38Å; K24-L28 PolarHBondContact O-N 2.66Å |
| 25 | I | 96.9 | Very high | 94.9 | Very high | 69 Ų | 69 | 107 Ų | 107 | 35% | 0.354 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 174.9 | -70.2 | 162.2 | 0 | 0 | 0 | 110.3 | L21 D22 L28 R29 | L21-I25 WeakPolarHBondContact O-CB 3.42Å; L21-I25 WeakPolarHBondContact O-CD1 3.49Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3.13Å; D22-I25 PolarHBondContact O-N 2.98Å; I25-L28 PolarHBondContact O-N 3.19Å; I25-R29 WeakPolarHBondContact O-CG 3.43Å; I25-R29 PolarHBondContact O-N 3.19Å |
| 26 | E | 95.9 | Very high | 95.5 | Very high | 90 Ų | 90 | 106.8 Ų | 106.8 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 176 | -163.9 | -171.9 | 130.2 | 0 | 0 | 112 | D22 K23 L28 R29 R30 | D22-E26 WeakPolarHBondContact O-CB 3.44Å; D22-E26 PolarHBondContact O-N 2.92Å; K23-E26 PolarHBondContact O-N 3.01Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.19Å; E26-R29 WeakPolarHBondContact O-CB 3.4Å; E26-R29 PolarHBondContact O-N 3.02Å; E26-R29 VanDerWaalsContact O-N 3.13Å; E26-R30 PolarHBondContact O-N 3.07Å; E26-R30 IonicContact OE1-CZ 3.53Å; E26-R30 IonicContact OE1-NH1 3.35Å; E26-R30 PolarHBondContact OE1-NH1 2.97Å; E26-R30 IonicContact OE1-NH2 3.04Å; E26-R30 PolarHBondContact OE1-NH2 2.91Å |
| 27 | A | 95.9 | Very high | 95.9 | Very high | 41 Ų | 41 | 107.4 Ų | 107.4 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -36.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K23 K31 | K23-A27 WeakPolarHBondContact O-CB 3.27Å; K23-A27 PolarHBondContact O-N 3.39Å; A27-K31 WeakPolarHBondContact O-CB 3.47Å; A27-K31 VanDerWaalsContact O-CG 3.28Å; A27-K31 WeakPolarHBondContact O-CG 3.3Å; A27-K31 PolarHBondContact O-N 2.7Å |
| 28 | L | 97.4 | Very high | 96.2 | Very high | 91 Ų | 91 | 109.9 Ų | 109.9 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 171.6 | -76 | 168.2 | 0 | 0 | 0 | 112.2 | K24 I25 E26 K31 N32 | K24-L28 WeakPolarHBondContact O-CG 3.38Å; K24-L28 PolarHBondContact O-N 2.66Å; I25-L28 PolarHBondContact O-N 3.19Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.19Å; L28-K31 PolarHBondContact O-N 2.95Å; L28-N32 WeakPolarHBondContact O-CB 3.15Å; L28-N32 PolarHBondContact O-N 2.87Å |
| 29 | R | 97.6 | Very high | 96.4 | Very high | 160 Ų | 160 | 112 Ų | 112 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.6 | -49.3 | 173.5 | -72.4 | 170 | -178.7 | 145.3 | 1.6 | 111.2 | I25 E26 K31 N32 E33 | I25-R29 WeakPolarHBondContact O-CG 3.43Å; I25-R29 PolarHBondContact O-N 3.19Å; E26-R29 WeakPolarHBondContact O-CB 3.4Å; E26-R29 PolarHBondContact O-N 3.02Å; E26-R29 VanDerWaalsContact O-N 3.13Å; R29-K31 PolarHBondContact O-N 3.15Å; R29-N32 PolarHBondContact O-N 3.14Å; R29-E33 WeakPolarHBondContact O-CB 3.42Å; R29-E33 PolarHBondContact O-N 2.88Å |
| 30 | R | 97.1 | Very high | 96.6 | Very high | 149 Ų | 149 | 112.7 Ų | 112.7 | 56% | 0.562 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.1 | -43.9 | 174.2 | -77.8 | -163.4 | -173.2 | 76.8 | 8.7 | 112.6 | E26 N32 E33 A34 | E26-R30 PolarHBondContact O-N 3.07Å; E26-R30 IonicContact OE1-CZ 3.53Å; E26-R30 IonicContact OE1-NH1 3.35Å; E26-R30 PolarHBondContact OE1-NH1 2.97Å; E26-R30 IonicContact OE1-NH2 3.04Å; E26-R30 PolarHBondContact OE1-NH2 2.91Å; R30-N32 PolarHBondContact O-N 3.45Å; R30-E33 PolarHBondContact O-N 3.33Å; R30-A34 WeakPolarHBondContact O-CB 3.32Å; R30-A34 PolarHBondContact O-N 2.77Å |
| 31 | K | 98.2 | Very high | 96.8 | Very high | 138 Ų | 138 | 112.6 Ų | 112.6 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 177.8 | -77.1 | 172.3 | -179.4 | 176.9 | 0 | 111.9 | A27 L28 R29 A34 L35 | A27-K31 WeakPolarHBondContact O-CB 3.47Å; A27-K31 VanDerWaalsContact O-CG 3.28Å; A27-K31 WeakPolarHBondContact O-CG 3.3Å; A27-K31 PolarHBondContact O-N 2.7Å; L28-K31 PolarHBondContact O-N 2.95Å; R29-K31 PolarHBondContact O-N 3.15Å; K31-A34 PolarHBondContact O-N 2.97Å; K31-L35 VanDerWaalsContact O-CG 3.31Å; K31-L35 WeakPolarHBondContact O-CG 3.42Å; K31-L35 PolarHBondContact O-N 2.89Å |
| 32 | N | 96.9 | Very high | 96.7 | Very high | 94 Ų | 94 | 111.9 Ų | 111.9 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 176.2 | -68.9 | -10.6 | 0 | 0 | 0 | 111.9 | L28 R29 R30 L35 M36 | L28-N32 WeakPolarHBondContact O-CB 3.15Å; L28-N32 PolarHBondContact O-N 2.87Å; R29-N32 PolarHBondContact O-N 3.14Å; R30-N32 PolarHBondContact O-N 3.45Å; N32-L35 PolarHBondContact O-N 2.89Å; N32-M36 WeakPolarHBondContact O-CG 3.3Å; N32-M36 PolarHBondContact O-N 2.73Å |
| 33 | E | 96.6 | Very high | 96.6 | Very high | 100 Ų | 100 | 110.8 Ų | 110.8 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 173.9 | -166.8 | -156.6 | 137.6 | 0 | 0 | 111.7 | R29 R30 L35 M36 K37 | R29-E33 WeakPolarHBondContact O-CB 3.42Å; R29-E33 PolarHBondContact O-N 2.88Å; R30-E33 PolarHBondContact O-N 3.33Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 3.06Å; E33-M36 PolarHBondContact O-N 3.4Å; E33-K37 PolarHBondContact O-N 3.43Å; E33-K37 WeakPolarHBondContact OE1-CE 3.38Å; E33-K37 IonicContact OE1-NZ 2.64Å; E33-K37 PolarHBondContact OE1-NZ 3.17Å |
| 34 | A | 96.4 | Very high | 96.4 | Very high | 55 Ų | 55 | 108.5 Ų | 108.5 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R30 K31 K37 R38 | R30-A34 WeakPolarHBondContact O-CB 3.32Å; R30-A34 PolarHBondContact O-N 2.77Å; K31-A34 PolarHBondContact O-N 2.97Å; A34-K37 PolarHBondContact O-N 3.31Å; A34-R38 WeakPolarHBondContact O-CB 3.23Å; A34-R38 PolarHBondContact O-N 3.23Å |
| 35 | L | 97.5 | Very high | 96.2 | Very high | 110 Ų | 110 | 106.8 Ų | 106.8 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -41.9 | 172.5 | -74.6 | 169.8 | 0 | 0 | 0 | 112 | K31 N32 E33 R38 Y39 | K31-L35 VanDerWaalsContact O-CG 3.31Å; K31-L35 WeakPolarHBondContact O-CG 3.42Å; K31-L35 PolarHBondContact O-N 2.89Å; N32-L35 PolarHBondContact O-N 2.89Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 3.06Å; L35-R38 PolarHBondContact O-N 2.93Å; L35-Y39 WeakPolarHBondContact O-CB 3.28Å; L35-Y39 PolarHBondContact O-N 3.49Å |
| 36 | M | 96.6 | Very high | 96 | Very high | 116 Ų | 116 | 110 Ų | 110 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.1 | -33.2 | 176.5 | -70.2 | -57.7 | -61.2 | 0 | 0 | 112.9 | N32 E33 K40 | N32-M36 WeakPolarHBondContact O-CG 3.3Å; N32-M36 PolarHBondContact O-N 2.73Å; E33-M36 PolarHBondContact O-N 3.4Å; M36-K40 WeakPolarHBondContact O-CG 3.31Å; M36-K40 PolarHBondContact O-N 3.01Å |
| 37 | K | 97 | Very high | 95.8 | Very high | 128 Ų | 128 | 112.7 Ų | 112.7 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -51.5 | 170.6 | -80.6 | 171.7 | 165.6 | 169.1 | 0 | 110.8 | E33 A34 Y39 K40 E41 | E33-K37 PolarHBondContact O-N 3.43Å; E33-K37 WeakPolarHBondContact OE1-CE 3.38Å; E33-K37 IonicContact OE1-NZ 2.64Å; E33-K37 PolarHBondContact OE1-NZ 3.17Å; A34-K37 PolarHBondContact O-N 3.31Å; K37-Y39 VanDerWaalsContact C-N 3.31Å; K37-Y39 PolarHBondContact O-N 3.01Å; K37-K40 WeakPolarHBondContact O-CB 3.16Å; K37-K40 PolarHBondContact O-N 3.18Å; K37-K40 VanDerWaalsContact O-N 3.14Å; K37-E41 WeakPolarHBondContact O-CB 3.38Å; K37-E41 PolarHBondContact O-N 3.36Å |
| 38 | R | 96.8 | Very high | 95.6 | Very high | 162 Ų | 162 | 116 Ų | 116 | 61% | 0.611 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -32.4 | 178 | -173.5 | 172.7 | 179.4 | -95.6 | -6.4 | 113.3 | A34 L35 V42 | A34-R38 WeakPolarHBondContact O-CB 3.23Å; A34-R38 PolarHBondContact O-N 3.23Å; L35-R38 PolarHBondContact O-N 2.93Å; R38-V42 HydrophobicContact CG-CG2 4.4Å; R38-V42 WeakPolarHBondContact O-CB 3.32Å; R38-V42 VanDerWaalsContact O-CG2 3.27Å; R38-V42 WeakPolarHBondContact O-CG2 3.49Å; R38-V42 PolarHBondContact O-N 2.94Å |
| 39 | Y | 96.6 | Very high | 95 | Very high | 141 Ų | 141 | 113 Ų | 113 | 55% | 0.553 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -47.1 | 173 | -173.3 | -78 | 0 | 0 | 0 | 110.9 | L35 K37 V42 E43 | L35-Y39 WeakPolarHBondContact O-CB 3.28Å; L35-Y39 PolarHBondContact O-N 3.49Å; K37-Y39 VanDerWaalsContact C-N 3.31Å; K37-Y39 PolarHBondContact O-N 3.01Å; Y39-V42 PolarHBondContact O-N 3.22Å; Y39-E43 HydrophobicContact CE1-CB 4.24Å; Y39-E43 HydrophobicContact CE1-CG 4.49Å; Y39-E43 VanDerWaalsContact CE1-OE2 3.28Å; Y39-E43 WeakPolarHBondContact CE1-OE2 3.34Å; Y39-E43 VanDerWaalsContact CZ-OE2 3.29Å; Y39-E43 PolarHBondContact O-N 2.73Å; Y39-E43 PolarHBondContact OH-OE2 2.9Å |
| 40 | K | 97.1 | Very high | 94.4 | Very high | 128 Ų | 128 | 109.4 Ų | 109.4 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.3 | -47.6 | 177.6 | -68.9 | 171.7 | -179.6 | -174.4 | 0 | 111.5 | M36 K37 V42 E43 E44 | M36-K40 WeakPolarHBondContact O-CG 3.31Å; M36-K40 PolarHBondContact O-N 3.01Å; K37-K40 WeakPolarHBondContact O-CB 3.16Å; K37-K40 PolarHBondContact O-N 3.18Å; K37-K40 VanDerWaalsContact O-N 3.14Å; K40-V42 VanDerWaalsContact C-N 3.33Å; K40-V42 PolarHBondContact O-N 2.7Å; K40-E43 PolarHBondContact O-N 3.36Å; K40-E43 VanDerWaalsContact O-N 3.14Å; K40-E44 WeakPolarHBondContact O-CB 3.28Å; K40-E44 WeakPolarHBondContact O-CG 3.31Å; K40-E44 PolarHBondContact O-N 3.05Å |
| 41 | E | 94.8 | Very high | 93.8 | Very high | 112 Ų | 112 | 110 Ų | 110 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -50.9 | -50.1 | 173.7 | 179.7 | -176.1 | -152.4 | 0 | 0 | 111.6 | K37 E43 E44 D45 | K37-E41 WeakPolarHBondContact O-CB 3.38Å; K37-E41 PolarHBondContact O-N 3.36Å; E41-E43 PolarHBondContact O-N 3.19Å; E41-E44 PolarHBondContact O-N 2.69Å; E41-D45 WeakPolarHBondContact O-CB 3.49Å; E41-D45 PolarHBondContact O-N 3Å |
| 42 | V | 95.5 | Very high | 93 | Very high | 76 Ų | 76 | 108.6 Ų | 108.6 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -35.9 | 178.2 | 169 | 0 | 0 | 0 | 0 | 112.9 | R38 Y39 K40 R46 | R38-V42 HydrophobicContact CG-CG2 4.4Å; R38-V42 WeakPolarHBondContact O-CB 3.32Å; R38-V42 VanDerWaalsContact O-CG2 3.27Å; R38-V42 WeakPolarHBondContact O-CG2 3.49Å; R38-V42 PolarHBondContact O-N 2.94Å; Y39-V42 PolarHBondContact O-N 3.22Å; K40-V42 VanDerWaalsContact C-N 3.33Å; K40-V42 PolarHBondContact O-N 2.7Å; V42-R46 WeakPolarHBondContact O-CB 3.35Å; V42-R46 PolarHBondContact O-N 3.24Å |
| 43 | E | 94.3 | Very high | 91.5 | Very high | 72 Ų | 72 | 106.9 Ų | 106.9 | 34% | 0.336 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.6 | -31.5 | 175.9 | -157.6 | 81.6 | -100 | 0 | 0 | 111.8 | Y39 K40 E41 R46 R47 | Y39-E43 HydrophobicContact CE1-CB 4.24Å; Y39-E43 HydrophobicContact CE1-CG 4.49Å; Y39-E43 VanDerWaalsContact CE1-OE2 3.28Å; Y39-E43 WeakPolarHBondContact CE1-OE2 3.34Å; Y39-E43 VanDerWaalsContact CZ-OE2 3.29Å; Y39-E43 PolarHBondContact O-N 2.73Å; Y39-E43 PolarHBondContact OH-OE2 2.9Å; K40-E43 PolarHBondContact O-N 3.36Å; K40-E43 VanDerWaalsContact O-N 3.14Å; E41-E43 PolarHBondContact O-N 3.19Å; E43-R46 WeakPolarHBondContact OE1-CD 3.36Å; E43-R46 IonicContact OE1-NH1 3.08Å; E43-R47 VanDerWaalsContact O-CB 3.3Å; E43-R47 WeakPolarHBondContact O-CB 3.45Å; E43-R47 PolarHBondContact O-N 3.13Å |
| 44 | E | 92.3 | Very high | 89.5 | Confident | 107 Ų | 107 | 109.2 Ų | 109.2 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.9 | -44.1 | 175 | -71.6 | -176.6 | -164.1 | 0 | 0 | 111.9 | K40 E41 R46 R47 K48 | K40-E44 WeakPolarHBondContact O-CB 3.28Å; K40-E44 WeakPolarHBondContact O-CG 3.31Å; K40-E44 PolarHBondContact O-N 3.05Å; E41-E44 PolarHBondContact O-N 2.69Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 2.83Å; E44-R47 PolarHBondContact O-N 3.38Å; E44-K48 VanDerWaalsContact O-CB 3.24Å; E44-K48 WeakPolarHBondContact O-CB 3.36Å; E44-K48 PolarHBondContact O-N 3.4Å |
| 45 | D | 92.4 | Very high | 87.4 | Confident | 103 Ų | 103 | 108 Ų | 108 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.8 | -42.5 | 169.8 | -90.2 | -10.5 | 0 | 0 | 0 | 111.1 | E41 K48 A49 | E41-D45 WeakPolarHBondContact O-CB 3.49Å; E41-D45 PolarHBondContact O-N 3Å; D45-K48 PolarHBondContact O-N 3.25Å; D45-A49 WeakPolarHBondContact O-CB 3.17Å; D45-A49 PolarHBondContact O-N 3.12Å |
| 46 | R | 93.1 | Very high | 85.2 | Confident | 136 Ų | 136 | 110.6 Ų | 110.6 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -52.3 | 175.8 | -179.5 | -170.6 | 172.4 | -176.8 | -4.7 | 111.3 | V42 E43 E44 K48 A49 E50 | V42-R46 WeakPolarHBondContact O-CB 3.35Å; V42-R46 PolarHBondContact O-N 3.24Å; E43-R46 WeakPolarHBondContact OE1-CD 3.36Å; E43-R46 IonicContact OE1-NH1 3.08Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 2.83Å; R46-K48 VanDerWaalsContact C-N 3.26Å; R46-K48 PolarHBondContact O-N 2.9Å; R46-A49 PolarHBondContact O-N 2.84Å; R46-E50 IonicContact CZ-OE1 2.7Å; R46-E50 VanDerWaalsContact CZ-OE1 3.31Å; R46-E50 IonicContact NE-OE1 2.73Å; R46-E50 PolarHBondContact NE-OE1 2.86Å; R46-E50 IonicContact NH2-OE1 3.59Å; R46-E50 PolarHBondContact NH2-OE1 3.47Å; R46-E50 WeakPolarHBondContact O-CG 3.48Å; R46-E50 PolarHBondContact O-N 3.42Å |
| 47 | R | 92.4 | Very high | 83.2 | Confident | 148 Ų | 148 | 112.6 Ų | 112.6 | 56% | 0.558 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -55.7 | -44.3 | 177.2 | 177.2 | -171.3 | 63.7 | -166.6 | -7.8 | 110.6 | E43 E44 E50 E51 | E43-R47 VanDerWaalsContact O-CB 3.3Å; E43-R47 WeakPolarHBondContact O-CB 3.45Å; E43-R47 PolarHBondContact O-N 3.13Å; E44-R47 PolarHBondContact O-N 3.38Å; R47-E50 PolarHBondContact O-N 3.27Å; R47-E51 WeakPolarHBondContact O-CB 3.41Å; R47-E51 PolarHBondContact O-N 3.35Å |
| 48 | K | 90.8 | Very high | 81.1 | Confident | 109 Ų | 109 | 111.8 Ų | 111.8 | 47% | 0.474 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.7 | -179.1 | 178.2 | 172.1 | -176.2 | 0 | 112 | E44 D45 R46 E50 E51 E52 | E44-K48 VanDerWaalsContact O-CB 3.24Å; E44-K48 WeakPolarHBondContact O-CB 3.36Å; E44-K48 PolarHBondContact O-N 3.4Å; D45-K48 PolarHBondContact O-N 3.25Å; R46-K48 VanDerWaalsContact C-N 3.26Å; R46-K48 PolarHBondContact O-N 2.9Å; K48-E50 VanDerWaalsContact C-N 3.32Å; K48-E50 PolarHBondContact O-N 2.87Å; K48-E51 PolarHBondContact O-N 3.34Å; K48-E52 WeakPolarHBondContact CE-OE1 3.5Å; K48-E52 HydrophobicContact CG-CG 4.36Å; K48-E52 IonicContact NZ-OE1 2.76Å; K48-E52 WeakPolarHBondContact O-CB 3.39Å; K48-E52 WeakPolarHBondContact O-CG 3.42Å; K48-E52 PolarHBondContact O-N 3.36Å |
| 49 | A | 85.4 | Confident | 78.9 | Confident | 30 Ų | 30 | 115.1 Ų | 115.1 | 25% | 0.248 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -66.9 | -32.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D45 R46 G53 M54 A55 | D45-A49 WeakPolarHBondContact O-CB 3.17Å; D45-A49 PolarHBondContact O-N 3.12Å; R46-A49 PolarHBondContact O-N 2.84Å; A49-G53 PolarHBondContact O-N 2.91Å; A49-M54 PolarHBondContact O-N 2.8Å; A49-A55 VanDerWaalsContact C-CB 3.47Å; A49-A55 HydrophobicContact CB-CB 3.9Å; A49-A55 WeakPolarHBondContact O-CB 3.33Å; A49-A55 PolarHBondContact O-N 3.48Å |
| 50 | E | 84.9 | Confident | 76.9 | Confident | 84 Ų | 84 | 117.9 Ų | 117.9 | 39% | 0.393 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.9 | -36.4 | 171.6 | -71.7 | -179.3 | -167.8 | 0 | 0 | 111.9 | R46 R47 K48 G53 A55 | R46-E50 IonicContact CZ-OE1 2.7Å; R46-E50 VanDerWaalsContact CZ-OE1 3.31Å; R46-E50 IonicContact NE-OE1 2.73Å; R46-E50 PolarHBondContact NE-OE1 2.86Å; R46-E50 IonicContact NH2-OE1 3.59Å; R46-E50 PolarHBondContact NH2-OE1 3.47Å; R46-E50 WeakPolarHBondContact O-CG 3.48Å; R46-E50 PolarHBondContact O-N 3.42Å; R47-E50 PolarHBondContact O-N 3.27Å; K48-E50 VanDerWaalsContact C-N 3.32Å; K48-E50 PolarHBondContact O-N 2.87Å; E50-G53 PolarHBondContact O-N 3.38Å; E50-A55 HydrophobicContact CB-CB 4.34Å; E50-A55 HydrophobicContact CG-CB 3.63Å |
| 51 | E | 84.2 | Confident | 74.7 | Confident | 160 Ų | 160 | 114.1 Ų | 114.1 | 75% | 0.748 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -72 | -42.8 | 174.8 | -175.6 | 172.8 | -172.9 | 0 | 0 | 112.9 | R47 K48 G53 | R47-E51 WeakPolarHBondContact O-CB 3.41Å; R47-E51 PolarHBondContact O-N 3.35Å; K48-E51 PolarHBondContact O-N 3.34Å; E51-G53 PolarHBondContact O-N 3.48Å |
| 52 | E | 80.9 | Confident | 72.7 | Confident | 110 Ų | 110 | 116.9 Ų | 116.9 | 51% | 0.514 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -2.1 | 173.5 | -69.1 | 177.3 | 176.2 | 0 | 0 | 112.9 | K48 M54 | K48-E52 WeakPolarHBondContact CE-OE1 3.5Å; K48-E52 HydrophobicContact CG-CG 4.36Å; K48-E52 IonicContact NZ-OE1 2.76Å; K48-E52 WeakPolarHBondContact O-CB 3.39Å; K48-E52 WeakPolarHBondContact O-CG 3.42Å; K48-E52 PolarHBondContact O-N 3.36Å; E52-M54 HydrophobicContact CB-CG 4.39Å; E52-M54 PolarHBondContact O-N 3.42Å |
| 53 | G | 66.4 | Low | 70.9 | Confident | 58 Ų | 58 | 117.9 Ų | 117.9 | 60% | 0.598 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.8 | 4.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A49 E50 E51 | A49-G53 PolarHBondContact O-N 2.91Å; E50-G53 PolarHBondContact O-N 3.38Å; E51-G53 PolarHBondContact O-N 3.48Å |
| 54 | M | 54.3 | Low | 69.2 | Low | 149 Ų | 149 | 120.6 Ų | 120.6 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | | | trans | -82.3 | -26.2 | 179.7 | -61.1 | -153.5 | -161.3 | 0 | 0 | 112.8 | A49 E52 L56 | A49-M54 PolarHBondContact O-N 2.8Å; E52-M54 HydrophobicContact CB-CG 4.39Å; E52-M54 PolarHBondContact O-N 3.42Å; M54-L56 PolarHBondContact O-N 2.86Å |
| 55 | A | 53.2 | Low | 67.6 | Low | 30 Ų | 30 | 123 Ų | 123 | 25% | 0.248 | 63% | 0.631 | C | S | . | * | S | Bend | trans | -63.9 | 105.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | A49 E50 Q57 | A49-A55 VanDerWaalsContact C-CB 3.47Å; A49-A55 HydrophobicContact CB-CB 3.9Å; A49-A55 WeakPolarHBondContact O-CB 3.33Å; A49-A55 PolarHBondContact O-N 3.48Å; E50-A55 HydrophobicContact CB-CB 4.34Å; E50-A55 HydrophobicContact CG-CB 3.63Å; A55-Q57 PolarHBondContact O-N 3.4Å |
| 56 | L | 50.2 | Low | 66.3 | Low | 164 Ų | 164 | 124.6 Ų | 124.6 | 86% | 0.859 | 64% | 0.64 | S | S | * | * | | | trans | -59.2 | 93 | 166.9 | -67.9 | 174.7 | 0 | 0 | 0 | 107.9 | M54 S58 | M54-L56 PolarHBondContact O-N 2.86Å; L56-S58 VanDerWaalsContact C-N 3.27Å; L56-S58 PolarHBondContact O-N 3.4Å |
| 57 | Q | 55.3 | Low | 64.6 | Low | 158 Ų | 158 | 123.7 Ų | 123.7 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | | | trans | -49.1 | 104.5 | 154.6 | -73.5 | -170.7 | -1.3 | 0 | 0 | 105.1 | A55 R59 | A55-Q57 PolarHBondContact O-N 3.4Å; Q57-R59 WeakPolarHBondContact O-CA 3.43Å; Q57-R59 PolarHBondContact O-N 3.5Å |
| 58 | S | 53.3 | Low | 63 | Low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | | | trans | -69.3 | 87.2 | -171.1 | 46.9 | 0 | 0 | 0 | 0 | 107 | L56 K60 | L56-S58 VanDerWaalsContact C-N 3.27Å; L56-S58 PolarHBondContact O-N 3.4Å; S58-K60 PolarHBondContact O-N 2.85Å |
| 59 | R | 50.1 | Low | 61.4 | Low | 232 Ų | 232 | 122.8 Ų | 122.8 | 88% | 0.875 | 66% | 0.664 | S | S | * | * | | | trans | -58.8 | 104.2 | -152.5 | -169.4 | -172.5 | -76.2 | -164.2 | -1.6 | 107.9 | Q57 G61 | Q57-R59 WeakPolarHBondContact O-CA 3.43Å; Q57-R59 PolarHBondContact O-N 3.5Å; R59-G61 PolarHBondContact O-N 3.3Å |
| 60 | K | 53 | Low | 59.6 | Low | 199 Ų | 199 | 127.8 Ų | 127.8 | 87% | 0.865 | 69% | 0.685 | S | S | * | * | | | trans | -73.8 | 43.7 | 174 | -161.1 | 78.8 | 171.4 | -169.7 | 0 | 109.2 | S58 K62 | S58-K60 PolarHBondContact O-N 2.85Å; K60-K62 PolarHBondContact O-N 2.82Å |
| 61 | G | 51.5 | Low | 57.9 | Low | 49 Ų | 49 | 128.6 Ų | 128.6 | 51% | 0.505 | 70% | 0.7 | S | S | . | * | | | trans | -56.3 | 121.2 | 174 | 0 | 0 | 0 | 0 | 0 | 107.1 | R59 A63 | R59-G61 PolarHBondContact O-N 3.3Å; G61-A63 PolarHBondContact O-N 3.01Å |
| 62 | K | 52.9 | Low | 56.6 | Low | 170 Ų | 170 | 130.4 Ų | 130.4 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | | | trans | -53.2 | 132.5 | 160 | -59.1 | -64.9 | -175 | 160.6 | 0 | 106.1 | K60 D64 | K60-K62 PolarHBondContact O-N 2.82Å; K62-D64 WeakPolarHBondContact CB-OD2 3.19Å; K62-D64 PolarHBondContact O-N 3.22Å |
| 63 | A | 57.1 | Low | 55.1 | Low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 8.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G61 | G61-A63 PolarHBondContact O-N 3.01Š|
| 64 | D | 58.8 | Low | 54.4 | Low | 130 Ų | 130 | 133.4 Ų | 133.4 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -5.7 | -158.1 | -43.9 | -59 | 0 | 0 | 0 | 112.6 | K62 | K62-D64 WeakPolarHBondContact CB-OD2 3.19Å; K62-D64 PolarHBondContact O-N 3.22Å |
| 65 | D | 58.4 | Low | 54.3 | Low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -109.1 | 12.7 | -174.4 | -162.2 | 42.8 | 0 | 0 | 0 | 113.6 | | |
| 66 | L | 65.8 | Low | 54.1 | Low | 138 Ų | 138 | 141.3 Ų | 141.3 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | | | trans | -131 | 57.1 | -179.8 | -165.2 | 61.4 | 0 | 0 | 0 | 112.7 | I68 | L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 HydrophobicContact CD1-CD1 4.47Å; L66-I68 HydrophobicContact CD1-CG1 4.2Å; L66-I68 HydrophobicContact CD2-CD1 4.38Å; L66-I68 HydrophobicContact CG-CD1 4.16Å; L66-I68 HydrophobicContact CG-CG1 3.97Å; L66-I68 PolarHBondContact O-N 2.84Å |
| 67 | T | 58.6 | Low | 54.1 | Low | 117 Ų | 117 | 138.4 Ų | 138.4 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | trans | -74.3 | 77.4 | 177.8 | -41.8 | 0 | 0 | 0 | 0 | 111.6 | T69 | T67-T69 PolarHBondContact O-N 2.99Š|
| 68 | I | 58.1 | Low | 53.7 | Low | 122 Ų | 122 | 141.7 Ų | 141.7 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | trans | -73.2 | 92.8 | 177.8 | -49.8 | -178.4 | 0 | 0 | 0 | 110.1 | L66 I70 | L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 HydrophobicContact CD1-CD1 4.47Å; L66-I68 HydrophobicContact CD1-CG1 4.2Å; L66-I68 HydrophobicContact CD2-CD1 4.38Å; L66-I68 HydrophobicContact CG-CD1 4.16Å; L66-I68 HydrophobicContact CG-CG1 3.97Å; L66-I68 PolarHBondContact O-N 2.84Å; I68-I70 HydrophobicContact CG2-CG1 3.89Å; I68-I70 PolarHBondContact O-N 3.21Å |
| 69 | T | 56.3 | Low | 53.5 | Low | 116 Ų | 116 | 141.8 Ų | 141.8 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | | | trans | -72.5 | 89.1 | 173.7 | 38.2 | 0 | 0 | 0 | 0 | 111.4 | T67 S71 | T67-T69 PolarHBondContact O-N 2.99Å; T69-S71 VanDerWaalsContact C-N 3.31Å; T69-S71 PolarHBondContact O-N 2.97Å |
| 70 | I | 48.8 | Very low | 53.3 | Low | 134 Ų | 134 | 136.9 Ų | 136.9 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | | | trans | -77.2 | 81.7 | 175.4 | -52 | 179.7 | 0 | 0 | 0 | 110 | I68 K72 | I68-I70 HydrophobicContact CG2-CG1 3.89Å; I68-I70 PolarHBondContact O-N 3.21Å; I70-K72 PolarHBondContact O-N 3.48Å |
| 71 | S | 49.6 | Very low | 53.1 | Low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | -58.1 | 118.5 | 168.9 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | T69 S73 | T69-S71 VanDerWaalsContact C-N 3.31Å; T69-S71 PolarHBondContact O-N 2.97Å; S71-S73 PolarHBondContact O-N 2.98Å |
| 72 | K | 55.8 | Low | 52.9 | Low | 199 Ų | 199 | 136.5 Ų | 136.5 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | | | trans | -93.9 | 67.5 | 177.3 | -70.8 | -179.3 | 65.6 | -165.7 | 0 | 111.4 | I70 | I70-K72 PolarHBondContact O-N 3.48Š|
| 73 | S | 49.9 | Very low | 52.7 | Low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | | | trans | -77.2 | 144 | 158 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | S71 | S71-S73 PolarHBondContact O-N 2.98Š|
| 74 | T | 51.5 | Low | 52 | Low | 135 Ų | 135 | 136.6 Ų | 136.6 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -88.2 | 135.3 | 167.2 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 75 | D | 53.2 | Low | 50.7 | Low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 64.3 | 158.1 | -175.1 | -67.8 | -41.1 | 0 | 0 | 0 | 118.1 | | |
| 76 | E | 47 | Very low | 49.7 | Very low | 192 Ų | 192 | 136 Ų | 136 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 74.6 | 165.6 | -179.6 | -150.3 | 142.2 | -131.8 | 0 | 0 | 119.1 | | |
| 77 | S | 50.8 | Low | 48.2 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -67.1 | 130.1 | -154 | -173.5 | 0 | 0 | 0 | 0 | 115 | V79 | S77-V79 PolarHBondContact O-N 3.24Å; S77-V79 VanDerWaalsContact O-N 3.17Å |
| 78 | R | 47.7 | Very low | 46.9 | Very low | 228 Ų | 228 | 133.8 Ų | 133.8 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | -85.9 | 83.7 | 179.7 | -64.7 | -173.7 | -178.4 | -159.4 | -1.2 | 112.5 | | |
| 79 | V | 49.3 | Very low | 45.7 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | trans | -78.6 | 120.4 | 165.4 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | S77 V81 | S77-V79 PolarHBondContact O-N 3.24Å; S77-V79 VanDerWaalsContact O-N 3.17Å; V79-V81 HydrophobicContact CG1-CG2 3.94Å; V79-V81 PolarHBondContact O-N 3.25Å |
| 80 | V | 45.3 | Very low | 45 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | | | trans | -85.3 | 97.9 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 81 | V | 48.9 | Very low | 44.3 | Very low | 115 Ų | 115 | 135 Ų | 135 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | | | trans | -91.9 | 100.7 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 110 | V79 K83 | V79-V81 HydrophobicContact CG1-CG2 3.94Å; V79-V81 PolarHBondContact O-N 3.25Å; V81-K83 PolarHBondContact O-N 3.02Å |
| 82 | T | 47.2 | Very low | 43.3 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | | | trans | -79.7 | 105.4 | 164.7 | 50.4 | 0 | 0 | 0 | 0 | 109.2 | P84 | T82-P84 VanDerWaalsContact O-CD 3.32Å; T82-P84 WeakPolarHBondContact O-CD 3.37Å |
| 83 | K | 47.7 | Very low | 42.3 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -91.6 | 111.8 | 178 | -174.2 | 71.8 | 176 | -175.4 | 0 | 110.2 | V81 | V81-K83 PolarHBondContact O-N 3.02Š|
| 84 | P | 42.7 | Very low | 41.3 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -70.3 | 129.1 | 164.9 | 29.5 | -32.5 | 0 | 0 | 0 | 109 | T82 G86 | T82-P84 VanDerWaalsContact O-CD 3.32Å; T82-P84 WeakPolarHBondContact O-CD 3.37Å; P84-G86 PolarHBondContact O-N 3.32Å |
| 85 | F | 32.5 | Very low | 40.4 | Very low | 204 Ų | 204 | 132.9 Ų | 132.9 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | -86.6 | 106.9 | 172.2 | -77.1 | -84.2 | 0 | 0 | 0 | 109.5 | | |
| 86 | G | 36.1 | Very low | 39.3 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -153.1 | 109.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P84 | P84-G86 PolarHBondContact O-N 3.32Š|
| 87 | S | 35.5 | Very low | 38.5 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 97% | 0.965 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 65.2 | 148.9 | 172.7 | -157.5 | 0 | 0 | 0 | 0 | 118 | | |
| 88 | G | 30.8 | Very low | 37.5 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | 98.6 | 99 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 89 | S | 32.1 | Very low | 36.6 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -81.7 | 149.6 | 152.7 | -163.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 90 | P | 42.4 | Very low | 35.9 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | | -141.9 | 151.8 | 90.3 | 37.8 | -23.7 | 0 | 0 | 0 | 116.1 | | |
| 91 | I | 33.2 | Very low | 35.2 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | 11.1 | 122.9 | 141.2 | -65.3 | 163.5 | 0 | 0 | 0 | 117.1 | | |
| 92 | G | 30.1 | Very low | 34.8 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -168 | 105.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 93 | T | 34.8 | Very low | 34 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | | | trans | -63.8 | 146.5 | 163.7 | 43.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 94 | G | 29.1 | Very low | 33.3 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | cis | 112.7 | 64 | 14.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 95 | Q | 32 | Very low | 32.8 | Very low | 190 Ų | 190 | 130.1 Ų | 130.1 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | -147.9 | 146.9 | 168.7 | -161.9 | 166 | -3.7 | 0 | 0 | 111.8 | | |
| 96 | Q | 30.4 | Very low | 32.8 | Very low | 172 Ų | 172 | 123.7 Ų | 123.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -124.4 | 132.1 | -178 | 159.4 | -163.3 | -6.6 | 0 | 0 | 107.1 | | |
| 97 | E | 30.6 | Very low | 32.9 | Very low | 185 Ų | 185 | 125.7 Ų | 125.7 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | -174.2 | 157.7 | 146.4 | -115.7 | -173.1 | 151.9 | 0 | 0 | 114.2 | | |
| 98 | G | 29 | Very low | 33 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | 74.8 | 130 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 99 | G | 28.1 | Very low | 33.3 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | cis | -175.2 | 173.7 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 100 | A | 36 | Very low | 33.5 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -64.5 | 170.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 101 | D | 30.4 | Very low | 33.3 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 63% | 0.626 | 81% | 0.812 | S | S | * | * | | | cis | -165.2 | 141 | 27.5 | -173.2 | 20.7 | 0 | 0 | 0 | 105.8 | | |
| 102 | R | 40.2 | Very low | 33.5 | Very low | 206 Ų | 206 | 125.9 Ų | 125.9 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | | | | 172.6 | 152.7 | 87.6 | -90.2 | -167.3 | 174.1 | -153.4 | -12.3 | 114.4 | | |
| 103 | V | 30.9 | Very low | 34.2 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | | | trans | 49.2 | 118.7 | 143.2 | 179.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 104 | G | 32.2 | Very low | 34.6 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | | | trans | -176.5 | 37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 105 | E | 33.4 | Very low | 35.8 | Very low | 207 Ų | 207 | 132.5 Ų | 132.5 | 97% | 0.967 | 82% | 0.818 | S | S | * | * | | | trans | 59.1 | 157.4 | 167.9 | -112.2 | 178.7 | 129.1 | 0 | 0 | 120.4 | | |
| 106 | G | 31.8 | Very low | 37 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -100.7 | 148.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 107 | S | 38.5 | Very low | 38.4 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | -40.1 | 136.9 | 169.7 | 179 | 0 | 0 | 0 | 0 | 115.7 | | |
| 108 | T | 36.5 | Very low | 39.5 | Very low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | | -163.8 | 163.5 | 119 | 14.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 109 | Q | 38.5 | Very low | 40.9 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -63.6 | 153.1 | -166.6 | -61.8 | 137.1 | -88.3 | 0 | 0 | 116.1 | | |
| 110 | G | 35.2 | Very low | 42.2 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -165 | 31.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 111 | T | 39.4 | Very low | 42.8 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | | | trans | 52.7 | 82.1 | 168.3 | 54.6 | 0 | 0 | 0 | 0 | 118 | R113 | T111-R113 PolarHBondContact O-N 2.94Å; T111-R113 VanDerWaalsContact O-N 3.14Å |
| 112 | G | 35.8 | Very low | 44.3 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | | | trans | -63.6 | 111 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G114 | G112-G114 PolarHBondContact O-N 3.41Š|
| 113 | R | 45.5 | Very low | 45.3 | Very low | 242 Ų | 242 | 128 Ų | 128 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | | | trans | -72.7 | 114.3 | 175 | -67.7 | 178.8 | 178.5 | -112 | -0.8 | 110.2 | T111 | T111-R113 PolarHBondContact O-N 2.94Å; T111-R113 VanDerWaalsContact O-N 3.14Å |
| 114 | G | 42.2 | Very low | 46.4 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | | | trans | -57.9 | 136.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G112 R116 | G112-G114 PolarHBondContact O-N 3.41Å; G114-R116 PolarHBondContact O-N 3.22Å |
| 115 | S | 54.4 | Low | 47.7 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | trans | -66.9 | 86.2 | -174.9 | -51.9 | 0 | 0 | 0 | 0 | 113.2 | K117 | S115-K117 PolarHBondContact O-N 3.13Š|
| 116 | R | 57.4 | Low | 48.9 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 59% | 0.589 | 76% | 0.755 | S | S | * | * | | | trans | -63.4 | 97.7 | 171.9 | 178.2 | -175.7 | -84.3 | -150.1 | -11.5 | 110.3 | G114 Q118 S133 | G114-R116 PolarHBondContact O-N 3.22Å; R116-Q118 HydrophobicContact CG-CG 4.08Å; R116-Q118 PolarHBondContact O-N 3.35Å; R116-S133 PolarHBondContact NH1-OG 3.49Å |
| 117 | K | 60.8 | Low | 50 | Low | 194 Ų | 194 | 133.2 Ų | 133.2 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | -60.6 | 117.6 | 164.6 | -64.8 | -177.2 | -179.9 | -179.4 | 0 | 108.7 | S115 | S115-K117 PolarHBondContact O-N 3.13Š|
| 118 | Q | 54.2 | Low | 50.8 | Low | 103 Ų | 103 | 131 Ų | 131 | 48% | 0.481 | 76% | 0.763 | S | S | . | * | | | trans | -103.7 | 102.6 | 170.8 | -64.4 | -168.8 | 30.4 | 0 | 0 | 108.9 | R116 T120 V131 | R116-Q118 HydrophobicContact CG-CG 4.08Å; R116-Q118 PolarHBondContact O-N 3.35Å; Q118-T120 PolarHBondContact O-N 2.7Å; Q118-V131 HydrophobicContact CG-CG1 4.44Å |
| 119 | L | 58.4 | Low | 51.7 | Low | 134 Ų | 134 | 134 Ų | 134 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | | | trans | -68.9 | 123.3 | 168.5 | -91 | 73.6 | 0 | 0 | 0 | 108.9 | | |
| 120 | T | 54.7 | Low | 52.5 | Low | 79 Ų | 79 | 134.9 Ų | 134.9 | 49% | 0.485 | 76% | 0.76 | S | S | . | * | | | trans | -105.2 | 99 | 174.2 | -58.2 | 0 | 0 | 0 | 0 | 108.5 | Q118 T122 | Q118-T120 PolarHBondContact O-N 2.7Å; T120-T122 HydrophobicContact CG2-CG2 4.28Å; T120-T122 PolarHBondContact O-N 2.85Å |
| 121 | V | 49.3 | Very low | 53.1 | Low | 111 Ų | 111 | 135.6 Ų | 135.6 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | | | trans | -83.8 | 99.9 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | M123 | V121-M123 HydrophobicContact CG1-CG 4.41Å; V121-M123 HydrophobicContact CG1-SD 4.1Å; V121-M123 PolarHBondContact O-N 2.79Å |
| 122 | T | 60.8 | Low | 53.2 | Low | 117 Ų | 117 | 134.3 Ų | 134.3 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | | | trans | -84.6 | 92.6 | 172.2 | 44.1 | 0 | 0 | 0 | 0 | 110.7 | T120 A124 | T120-T122 HydrophobicContact CG2-CG2 4.28Å; T120-T122 PolarHBondContact O-N 2.85Å; T122-A124 PolarHBondContact O-N 2.81Å |
| 123 | M | 60.7 | Low | 53.9 | Low | 145 Ų | 145 | 133 Ų | 133 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | | | trans | -68 | 129 | 165.9 | -65.9 | -53.8 | -59.1 | 0 | 0 | 110.2 | V121 | V121-M123 HydrophobicContact CG1-CG 4.41Å; V121-M123 HydrophobicContact CG1-SD 4.1Å; V121-M123 PolarHBondContact O-N 2.79Å |
| 124 | A | 54.2 | Low | 53.7 | Low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 146.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T122 | T122-A124 PolarHBondContact O-N 2.81Š|
| 125 | G | 60.7 | Low | 53.5 | Low | 83 Ų | 83 | 137.4 Ų | 137.4 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.2 | -15 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 126 | K | 58.3 | Low | 52.8 | Low | 190 Ų | 190 | 136.9 Ų | 136.9 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | | | trans | -132.3 | 118.7 | 178.9 | -69.8 | 178.2 | -176.7 | 166.7 | 0 | 113.2 | G128 | K126-G128 PolarHBondContact O-N 2.99Š|
| 127 | K | 54.9 | Low | 51.7 | Low | 227 Ų | 227 | 138.9 Ų | 138.9 | 99% | 0.987 | 73% | 0.73 | S | S | * | * | | | trans | -74.9 | 83.2 | -173.7 | -52 | -176.3 | -170.4 | -175.2 | 0 | 111.8 | | |
| 128 | G | 54.5 | Low | 50.5 | Low | 66 Ų | 66 | 138.9 Ų | 138.9 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | | | trans | -165.1 | 111.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | K126 R130 | K126-G128 PolarHBondContact O-N 2.99Å; G128-R130 PolarHBondContact O-N 2.81Å |
| 129 | K | 55.8 | Low | 49.4 | Very low | 193 Ų | 193 | 143 Ų | 143 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | | | trans | -75 | 115.7 | 172.2 | -65.4 | -175.2 | 179.4 | -176.2 | 0 | 109.5 | | |
| 130 | R | 54.8 | Low | 48.4 | Very low | 208 Ų | 208 | 142.8 Ų | 142.8 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -110.2 | 111.4 | 169.5 | -87.9 | 178.4 | 52.2 | 162.5 | -6.3 | 109.7 | G128 | G128-R130 PolarHBondContact O-N 2.81Š|
| 131 | V | 47.3 | Very low | 47.2 | Very low | 82 Ų | 82 | 142.4 Ų | 142.4 | 50% | 0.497 | 77% | 0.768 | S | S | . | * | | | trans | -77.6 | 123.2 | 166.7 | 174 | 0 | 0 | 0 | 0 | 108.3 | Q118 | Q118-V131 HydrophobicContact CG-CG1 4.44Š|
| 132 | V | 42.6 | Very low | 46.5 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | | | trans | -101 | 117 | 163.7 | 179 | 0 | 0 | 0 | 0 | 106.7 | | |
| 133 | S | 50.3 | Low | 45.1 | Very low | 60 Ų | 60 | 146.1 Ų | 146.1 | 42% | 0.42 | 79% | 0.786 | S | S | . | * | | | trans | -107.1 | 113.8 | 169.8 | 68.5 | 0 | 0 | 0 | 0 | 109.9 | R116 | R116-S133 PolarHBondContact NH1-OG 3.49Š|
| 134 | E | 42.5 | Very low | 43.7 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -55 | 143.1 | 167.6 | -167.6 | 175.4 | -177.9 | 0 | 0 | 110.8 | | |
| 135 | R | 36.4 | Very low | 42.5 | Very low | 231 Ų | 231 | 150.9 Ų | 150.9 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | -118.9 | 109.8 | -177.2 | 177.5 | 178.9 | 178.8 | 160.6 | 0.2 | 107.9 | | |
| 136 | P | 40.1 | Very low | 41 | Very low | 110 Ų | 110 | 150.5 Ų | 150.5 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | trans | -65.7 | 140.5 | -178.1 | 26.3 | -33.9 | 0 | 0 | 0 | 111.4 | | |
| 137 | E | 34.7 | Very low | 39.8 | Very low | 197 Ų | 197 | 150 Ų | 150 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -69.4 | 152.7 | 172.2 | -167.1 | 165.5 | -162.2 | 0 | 0 | 110.6 | | |
| 138 | K | 35.5 | Very low | 38.8 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | -128.5 | 127.5 | -176.9 | -80.8 | -165.7 | 170.6 | -165.4 | 0 | 111.9 | | |
| 139 | Q | 31.2 | Very low | 37.9 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | -73.9 | 161.8 | 164 | -74.1 | -159.2 | -0.2 | 0 | 0 | 111.9 | | |
| 140 | P | 37 | Very low | 36.7 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -100.1 | 146.5 | -159.6 | 36.5 | -34.5 | 0 | 0 | 0 | 116.4 | | |
| 141 | G | 28.9 | Very low | 35.6 | Very low | 71 Ų | 71 | 147.9 Ų | 147.9 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | 115.1 | 159.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 142 | P | 35.7 | Very low | 34.8 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | cis | -106.5 | -160.4 | -10.9 | 40.3 | -29.8 | 0 | 0 | 0 | 112.6 | | |
| 143 | L | 31.8 | Very low | 34.3 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | | | trans | -62.7 | 147.5 | -178 | -92.5 | 63.2 | 0 | 0 | 0 | 114.9 | | |
| 144 | D | 30.5 | Very low | 33.5 | Very low | 159 Ų | 159 | 153.9 Ų | 153.9 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | | | | -151 | 166.4 | 124 | -161.4 | 9.9 | 0 | 0 | 0 | 110.1 | | |
| 145 | E | 29.9 | Very low | 32.9 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -76.9 | 156.6 | -172.4 | -70 | -152.2 | 107.6 | 0 | 0 | 115.1 | | |
| 146 | G | 29.2 | Very low | 32.7 | Very low | 74 Ų | 74 | 150.1 Ų | 150.1 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | | | trans | -90.6 | 163.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 147 | Q | 32.3 | Very low | 32.2 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | | | trans | -141 | 146.6 | 164.4 | -99.8 | -176.7 | 17 | 0 | 0 | 113.4 | | |
| 148 | T | 33.8 | Very low | 32.3 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | 61.2 | 131.3 | 157.9 | 56.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 149 | R | 36.3 | Very low | 32.2 | Very low | 232 Ų | 232 | 148 Ų | 148 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | | | trans | -70.9 | 145.5 | 160.9 | -58 | 161.9 | 175.2 | -130.8 | -0.3 | 109.2 | | |
| 150 | Q | 29.9 | Very low | 32.4 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -125.3 | 134.7 | 152.3 | -105.7 | -69.7 | 15.7 | 0 | 0 | 108.2 | | |
| 151 | V | 32.2 | Very low | 32.2 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | | | trans | -127.4 | 111.9 | -178.5 | 174.5 | 0 | 0 | 0 | 0 | 107 | | |
| 152 | E | 29.8 | Very low | 32.4 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -130.5 | 116.9 | 167.4 | -155.9 | 173.4 | 135.7 | 0 | 0 | 111 | | |
| 153 | S | 32.4 | Very low | 32.1 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -106.3 | 92.1 | 174.6 | -68.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 154 | A | 34.3 | Very low | 32 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | | | trans | -106.2 | 80 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 155 | G | 28.7 | Very low | 32.1 | Very low | 73 Ų | 73 | 147.6 Ų | 147.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -91.4 | 119 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 156 | R | 32.7 | Very low | 32.1 | Very low | 258 Ų | 258 | 148.2 Ų | 148.2 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | | | trans | -167.8 | 143.8 | 159.3 | -108.1 | 163.8 | -170.7 | -117.1 | 3.2 | 110.3 | | |
| 157 | G | 30.2 | Very low | 32 | Very low | 70 Ų | 70 | 150.2 Ų | 150.2 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | 147.7 | 46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q159 | G157-Q159 PolarHBondContact O-N 2.79Š|
| 158 | K | 35.8 | Very low | 31.8 | Very low | 209 Ų | 209 | 146.3 Ų | 146.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 125.1 | 167.5 | -74.1 | -171.7 | 175.6 | -173.6 | 0 | 109.5 | | |
| 159 | Q | 33.4 | Very low | 31.6 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 131 | 169 | -72.9 | -65.1 | -23.8 | 0 | 0 | 110.1 | G157 | G157-Q159 PolarHBondContact O-N 2.79Š|
| 160 | P | 36.7 | Very low | 31.3 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 55% | 0.552 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 125.9 | 174.9 | 32.6 | -30.9 | 0 | 0 | 0 | 111 | | |
| 161 | S | 32.4 | Very low | 31.4 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 133.7 | 157.1 | 44.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 162 | K | 33.1 | Very low | 31.3 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -128.9 | 111.2 | 175.1 | -69.8 | -167.5 | 178.4 | -173.7 | 0 | 110.1 | | |
| 163 | T | 29 | Very low | 31.3 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | | | trans | -76.6 | 142.9 | 166.1 | 49.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 164 | T | 30.2 | Very low | 30.9 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | | | trans | -124.5 | 115.8 | 159.7 | 45.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 165 | K | 32.5 | Very low | 30.5 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | trans | -103.3 | 141.4 | 173 | 168.7 | -167.9 | 169.9 | -167.4 | 0 | 107.8 | E167 | K165-E167 VanDerWaalsContact CE-OE1 3.27Å; K165-E167 WeakPolarHBondContact CE-OE1 3.4Å; K165-E167 IonicContact NZ-OE1 3.84Å; K165-E167 PolarHBondContact NZ-OE1 3.3Å |
| 166 | R | 28.6 | Very low | 30.4 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | | | trans | 171.2 | 118.4 | 137.8 | -93.7 | -163.2 | 156.3 | 115 | 2.4 | 108.5 | | |
| 167 | E | 27.1 | Very low | 30.2 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 55% | 0.547 | 79% | 0.787 | S | S | . | * | | | | 77.2 | 125.9 | 92.6 | -76.5 | 159 | -150.3 | 0 | 0 | 110.7 | K165 | K165-E167 VanDerWaalsContact CE-OE1 3.27Å; K165-E167 WeakPolarHBondContact CE-OE1 3.4Å; K165-E167 IonicContact NZ-OE1 3.84Å; K165-E167 PolarHBondContact NZ-OE1 3.3Å |
| 168 | S | 28.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | cis | -158 | 171.5 | 8.5 | -78 | 0 | 0 | 0 | 0 | 112.4 | | |
| 169 | S | 29 | Very low | 29.8 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | 59.2 | 142.7 | 154.4 | 44 | 0 | 0 | 0 | 0 | 119.8 | | |
| 170 | S | 31.3 | Very low | 29.8 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | cis | -168.5 | 154.6 | -7.9 | 41 | 0 | 0 | 0 | 0 | 110.5 | | |
| 171 | S | 32.2 | Very low | 29.5 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | 41.6 | 112.7 | 158.8 | 55.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 172 | S | 30.1 | Very low | 29.5 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | cis | 71.5 | 111.6 | 35.6 | 91.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 173 | S | 29.3 | Very low | 29.5 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -158.5 | 122.2 | 159.8 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 174 | S | 24.8 | Very low | 29.7 | Very low | 126 Ų | 126 | 129 Ų | 129 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | | | trans | 173.3 | 135.1 | 145.2 | 34.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 175 | A | 25.2 | Very low | 29.7 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | trans | 122.9 | 93.4 | 167 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 176 | A | 26.1 | Very low | 29.5 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | | | trans | 31.9 | 116.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 177 | A | 28.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | trans | -143.2 | 152.4 | 131.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 178 | A | 28.3 | Very low | 30.4 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | -111.5 | 144.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 179 | A | 30.1 | Very low | 30.4 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | -172.6 | 126.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 180 | K | 33.3 | Very low | 30.6 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | | | trans | 55.2 | 140.8 | 147.1 | -76 | 175.2 | 152.6 | -107.6 | 0 | 122.8 | | |
| 181 | E | 30.8 | Very low | 30.9 | Very low | 153 Ų | 153 | 134 Ų | 134 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | 61.5 | 146.7 | 145.3 | -71.5 | 155.8 | -142.6 | 0 | 0 | 118.8 | | |
| 182 | E | 31.6 | Very low | 31 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | cis | -159.2 | -177.5 | -31.7 | -146.6 | -152.1 | 136.1 | 0 | 0 | 108.3 | | |
| 183 | I | 34.2 | Very low | 31.3 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | | | trans | 65.7 | 91.9 | 155.5 | -62.4 | 161.3 | 0 | 0 | 0 | 118.2 | | |
| 184 | K | 33.3 | Very low | 31.5 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | | | | 78.7 | 104.4 | 110.6 | -158.3 | 176.1 | -179.7 | 179.9 | 0 | 122.2 | | |
| 185 | Q | 30.4 | Very low | 32 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | 83.1 | 119.7 | 130.9 | -69.9 | 173.6 | -13.9 | 0 | 0 | 124.4 | | |
| 186 | R | 27.7 | Very low | 32.3 | Very low | 235 Ų | 235 | 147.9 Ų | 147.9 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | | | trans | 78.9 | 156.5 | 133.5 | -85.2 | -160.9 | 139.9 | 172.4 | -4.9 | 121.9 | | |
| 187 | P | 48.1 | Very low | 32.9 | Very low | 96 Ų | 96 | 149.3 Ų | 149.3 | 62% | 0.623 | 78% | 0.78 | S | S | * | * | | | trans | -126.4 | -172.4 | -165.8 | 43.9 | -27.2 | 0 | 0 | 0 | 113.7 | | |
| 188 | M | 26.6 | Very low | 33.4 | Very low | 146 Ų | 146 | 152.2 Ų | 152.2 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | | | | 169.4 | 146.7 | 121.6 | -88.6 | -53.7 | -170.9 | 0 | 0 | 112.9 | | |
| 189 | N | 28.7 | Very low | 33.8 | Very low | 135 Ų | 135 | 156.2 Ų | 156.2 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | 20.3 | 139.1 | 146 | -51.1 | -2.9 | 0 | 0 | 0 | 122.3 | | |
| 190 | A | 32.3 | Very low | 34 | Very low | 104 Ų | 104 | 160.8 Ų | 160.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -148.7 | 135.6 | 132.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 191 | E | 37 | Very low | 34 | Very low | 177 Ų | 177 | 162.6 Ų | 162.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | -95.4 | 158.7 | 165.8 | -65.8 | 149.5 | 86.1 | 0 | 0 | 109.1 | | |
| 192 | E | 36 | Very low | 34.1 | Very low | 180 Ų | 180 | 163.4 Ų | 163.4 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | -165.8 | 152 | 134.4 | -113.5 | 172.8 | 165.1 | 0 | 0 | 112.2 | | |
| 193 | Q | 34.7 | Very low | 35 | Very low | 177 Ų | 177 | 160.6 Ų | 160.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | -117.8 | 138.7 | 179.1 | -59.3 | 178.6 | 1.3 | 0 | 0 | 110.2 | | |
| 194 | H | 34.3 | Very low | 34.8 | Very low | 163 Ų | 163 | 163.9 Ų | 163.9 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | -145.1 | 92.5 | 162.7 | -84.9 | -58.3 | 0 | 0 | 0 | 114.8 | | |
| 195 | K | 35.1 | Very low | 35 | Very low | 189 Ų | 189 | 161 Ų | 161 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | | 52.1 | 149.8 | 127.3 | -65.8 | -167.9 | 174.5 | -172.3 | 0 | 122.6 | | |
| 196 | D | 32.3 | Very low | 35.7 | Very low | 149 Ų | 149 | 158.1 Ų | 158.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | -83.5 | 167.7 | -172.4 | -36.8 | -97 | 0 | 0 | 0 | 114.1 | | |
| 197 | T | 37.2 | Very low | 36 | Very low | 136 Ų | 136 | 155 Ų | 155 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | trans | -151.7 | 117.2 | 156.9 | -62.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 198 | E | 39.4 | Very low | 35.8 | Very low | 169 Ų | 169 | 155.8 Ų | 155.8 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -80.8 | 146.5 | 175.1 | -64.4 | 176.5 | 95.3 | 0 | 0 | 112.6 | | |
| 199 | Q | 36.3 | Very low | 36.6 | Very low | 190 Ų | 190 | 153.7 Ų | 153.7 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -158.6 | 129.3 | 142.8 | -119.5 | 142.5 | 91 | 0 | 0 | 111.5 | | |
| 200 | Q | 35.1 | Very low | 37.4 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -82.2 | 145 | -174.5 | -59.4 | 170.3 | -78.3 | 0 | 0 | 112.5 | | |
| 201 | K | 33.8 | Very low | 38.1 | Very low | 212 Ų | 212 | 150.6 Ų | 150.6 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | | | trans | -148.4 | 137.7 | 137 | -150.7 | 173.6 | -176.8 | -177.3 | 0 | 111.5 | | |
| 202 | E | 32.3 | Very low | 39.2 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -106.2 | 178.9 | -173.8 | -149.2 | -145.7 | -169.6 | 0 | 0 | 110.5 | | |
| 203 | P | 50.4 | Low | 40.4 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | | -104.7 | 154.6 | -74.8 | 29.2 | -18.1 | 0 | 0 | 0 | 112.2 | | |
| 204 | E | 30.1 | Very low | 41.7 | Very low | 196 Ų | 196 | 144 Ų | 144 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | | | trans | -141.1 | 122.6 | 159.3 | -165.4 | 166.9 | -164.6 | 0 | 0 | 112 | | |
| 205 | S | 37 | Very low | 42.9 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | | | trans | -130.3 | 154.6 | 164.4 | 82.6 | 0 | 0 | 0 | 0 | 107 | | |
| 206 | P | 45.5 | Very low | 44.2 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | | | cis | -129.7 | 146.8 | 18.9 | 38.5 | -23.4 | 0 | 0 | 0 | 115 | | |
| 207 | Q | 34.5 | Very low | 46 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | | | trans | -137.5 | 99.6 | 154.4 | -75.4 | -61.6 | -72.1 | 0 | 0 | 109.4 | S209 | Q207-S209 PolarHBondContact O-N 3.22Š|
| 208 | P | 43.1 | Very low | 47.5 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | | | trans | -76.3 | 62.9 | 168.9 | 33.5 | -34.5 | 0 | 0 | 0 | 109.8 | T210 | P208-T210 PolarHBondContact O-N 3.03Š|
| 209 | S | 43.7 | Very low | 49.2 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | | | trans | -90.8 | 41.6 | 170.2 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | Q207 D211 | Q207-S209 PolarHBondContact O-N 3.22Å; S209-D211 PolarHBondContact O-N 3.03Å |
| 210 | T | 46.3 | Very low | 51.2 | Low | 87 Ų | 87 | 124.2 Ų | 124.2 | 53% | 0.534 | 65% | 0.653 | S | S | . | * | | | trans | -62.1 | 122.1 | 159.3 | 32.5 | 0 | 0 | 0 | 0 | 107.6 | P208 L212 | P208-T210 PolarHBondContact O-N 3.03Å; T210-L212 PolarHBondContact O-N 3.28Å |
| 211 | D | 46.2 | Very low | 53.3 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | | | trans | -65.4 | 107.3 | 173.1 | -179.9 | 7.8 | 0 | 0 | 0 | 108.5 | S209 N213 I214 | S209-D211 PolarHBondContact O-N 3.03Å; D211-N213 PolarHBondContact O-N 2.83Å; D211-N213 WeakPolarHBondContact OD1-CB 3.37Å; D211-N213 PolarHBondContact OD1-N 3.19Å; D211-N213 PolarHBondContact OD1-ND2 3.08Å; D211-I214 HydrophobicContact CB-CD1 4.38Å; D211-I214 HydrophobicContact CB-CG1 4.44Å; D211-I214 PolarHBondContact O-N 3.04Å |
| 212 | L | 60.4 | Low | 55.7 | Low | 152 Ų | 152 | 112.7 Ų | 112.7 | 80% | 0.796 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 4.2 | -177 | -56.5 | 176.9 | 0 | 0 | 0 | 113.7 | T210 | T210-L212 PolarHBondContact O-N 3.28Š|
| 213 | N | 60 | Low | 58.2 | Low | 141 Ų | 141 | 111 Ų | 111 | 75% | 0.754 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -10.2 | 167.9 | -62 | -87.1 | 0 | 0 | 0 | 113.4 | D211 | D211-N213 PolarHBondContact O-N 2.83Å; D211-N213 WeakPolarHBondContact OD1-CB 3.37Å; D211-N213 PolarHBondContact OD1-N 3.19Å; D211-N213 PolarHBondContact OD1-ND2 3.08Å |
| 214 | I | 62.1 | Low | 60.1 | Low | 102 Ų | 102 | 111.5 Ų | 111.5 | 52% | 0.523 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -102.9 | 120.4 | 176.5 | -56.3 | 178.4 | 0 | 0 | 0 | 108.1 | D211 T216 | D211-I214 HydrophobicContact CB-CD1 4.38Å; D211-I214 HydrophobicContact CB-CG1 4.44Å; D211-I214 PolarHBondContact O-N 3.04Å; I214-T216 WeakPolarHBondContact O-CG2 3.44Å; I214-T216 PolarHBondContact O-N 3.03Å |
| 215 | P | 60.2 | Low | 62.9 | Low | 19 Ų | 19 | 107.2 Ų | 107.2 | 12% | 0.123 | 57% | 0.566 | C | S | . | * | | | trans | -53.8 | 122.2 | 175.3 | -28 | 36.3 | 0 | 0 | 0 | 111.2 | E220 Q221 Y224 | P215-E220 VanDerWaalsContact CA-CD 3.48Å; P215-E220 WeakPolarHBondContact CA-OE1 3.34Å; P215-E220 WeakPolarHBondContact CA-OE2 3.41Å; P215-E220 HydrophobicContact CB-CB 3.86Å; P215-E220 HydrophobicContact CB-CG 3.72Å; P215-Q221 HydrophobicContact CB-CB 4.5Å; P215-Q221 HydrophobicContact CB-CG 3.74Å; P215-Q221 WeakPolarHBondContact O-CG 3.36Å; P215-Q221 PolarHBondContact O-NE2 2.97Å; P215-Y224 HydrophobicContact CG-CD1 4.48Å; P215-Y224 HydrophobicContact CG-CG 4.14Å |
| 216 | T | 63.1 | Low | 65.5 | Low | 98 Ų | 98 | 109.8 Ų | 109.8 | 60% | 0.601 | 56% | 0.56 | S | S | * | * | | | trans | -92.9 | -21.9 | -165.7 | 59.6 | 0 | 0 | 0 | 0 | 113 | I214 E220 | I214-T216 WeakPolarHBondContact O-CG2 3.44Å; I214-T216 PolarHBondContact O-N 3.03Å; T216-E220 PolarHBondContact N-OE2 3.18Å |
| 217 | S | 69.9 | Low | 67.8 | Low | 45 Ų | 45 | 109.9 Ų | 109.9 | 32% | 0.315 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -90.9 | 146.6 | 164.2 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | E219 E220 Q221 | S217-E219 PolarHBondContact O-N 2.76Å; S217-E219 PolarHBondContact OG-N 3.32Å; S217-E220 PolarHBondContact N-OE2 2.78Å; S217-E220 WeakPolarHBondContact O-CB 3.36Å; S217-E220 PolarHBondContact O-N 3.33Å; S217-Q221 WeakPolarHBondContact O-CG 3.43Å; S217-Q221 PolarHBondContact O-N 2.8Å |
| 218 | R | 69.2 | Low | 70.7 | Confident | 184 Ų | 184 | 107.5 Ų | 107.5 | 69% | 0.694 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -55.3 | -39.4 | 168.9 | 175 | -175 | 159.8 | -176.2 | -5.5 | 111.6 | E220 Q221 E222 | R218-E220 VanDerWaalsContact C-N 3.34Å; R218-Q221 WeakPolarHBondContact O-CB 2.82Å; R218-Q221 PolarHBondContact O-N 2.75Å; R218-E222 IonicContact CZ-OE1 2.66Å; R218-E222 IonicContact NE-OE1 3.19Å; R218-E222 PolarHBondContact NE-OE1 3.07Å; R218-E222 IonicContact NH2-OE1 2.72Å; R218-E222 PolarHBondContact NH2-OE1 3.21Å; R218-E222 VanDerWaalsContact NH2-OE1 3.08Å; R218-E222 PolarHBondContact O-N 2.83Å |
| 219 | E | 74.3 | Confident | 73.1 | Confident | 149 Ų | 149 | 108.7 Ų | 108.7 | 70% | 0.696 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.9 | -38.6 | -178.5 | -63.2 | 164.5 | 155 | 0 | 0 | 110.7 | S217 Q221 E222 E223 | S217-E219 PolarHBondContact O-N 2.76Å; S217-E219 PolarHBondContact OG-N 3.32Å; E219-Q221 VanDerWaalsContact C-N 3.34Å; E219-E222 PolarHBondContact O-N 3.06Å; E219-E223 WeakPolarHBondContact O-CB 3.13Å; E219-E223 PolarHBondContact O-N 3.25Å |
| 220 | E | 78.6 | Confident | 75.4 | Confident | 85 Ų | 85 | 108.8 Ų | 108.8 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.3 | -34 | 174.1 | -158.6 | -159.7 | 159 | 0 | 0 | 111.5 | P215 T216 S217 R218 E223 Y224 | P215-E220 VanDerWaalsContact CA-CD 3.48Å; P215-E220 WeakPolarHBondContact CA-OE1 3.34Å; P215-E220 WeakPolarHBondContact CA-OE2 3.41Å; P215-E220 HydrophobicContact CB-CB 3.86Å; P215-E220 HydrophobicContact CB-CG 3.72Å; T216-E220 PolarHBondContact N-OE2 3.18Å; S217-E220 PolarHBondContact N-OE2 2.78Å; S217-E220 WeakPolarHBondContact O-CB 3.36Å; S217-E220 PolarHBondContact O-N 3.33Å; R218-E220 VanDerWaalsContact C-N 3.34Å; E220-E223 PolarHBondContact O-N 2.69Å; E220-Y224 VanDerWaalsContact O-CB 3.31Å; E220-Y224 WeakPolarHBondContact O-CB 3.42Å; E220-Y224 PolarHBondContact O-N 3.06Å |
| 221 | Q | 78.1 | Confident | 77.7 | Confident | 94 Ų | 94 | 111 Ų | 111 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 170.9 | -67.8 | 177.1 | 14.6 | 0 | 0 | 111.9 | P215 S217 R218 E219 E223 Y224 L225 | P215-Q221 HydrophobicContact CB-CB 4.5Å; P215-Q221 HydrophobicContact CB-CG 3.74Å; P215-Q221 WeakPolarHBondContact O-CG 3.36Å; P215-Q221 PolarHBondContact O-NE2 2.97Å; S217-Q221 WeakPolarHBondContact O-CG 3.43Å; S217-Q221 PolarHBondContact O-N 2.8Å; R218-Q221 WeakPolarHBondContact O-CB 2.82Å; R218-Q221 PolarHBondContact O-N 2.75Å; E219-Q221 VanDerWaalsContact C-N 3.34Å; Q221-E223 VanDerWaalsContact C-N 3.34Å; Q221-Y224 PolarHBondContact O-N 2.77Å; Q221-L225 WeakPolarHBondContact O-CG 3.41Å; Q221-L225 PolarHBondContact O-N 3.43Å |
| 222 | E | 84.3 | Confident | 79.9 | Confident | 65 Ų | 65 | 112.4 Ų | 112.4 | 30% | 0.304 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 174.3 | -70.3 | -173.8 | -153.4 | 0 | 0 | 111.8 | R218 E219 L225 R226 | R218-E222 IonicContact CZ-OE1 2.66Å; R218-E222 IonicContact NE-OE1 3.19Å; R218-E222 PolarHBondContact NE-OE1 3.07Å; R218-E222 IonicContact NH2-OE1 2.72Å; R218-E222 PolarHBondContact NH2-OE1 3.21Å; R218-E222 VanDerWaalsContact NH2-OE1 3.08Å; R218-E222 PolarHBondContact O-N 2.83Å; E219-E222 PolarHBondContact O-N 3.06Å; E222-L225 PolarHBondContact O-N 3.43Å; E222-R226 WeakPolarHBondContact O-CD 3.41Å; E222-R226 WeakPolarHBondContact O-CG 3.3Å; E222-R226 PolarHBondContact O-N 2.84Å; E222-R226 PolarHBondContact O-NE 3.46Å; E222-R226 IonicContact OE2-NH2 3.35Å; E222-R226 PolarHBondContact OE2-NH2 2.88Å |
| 223 | E | 86.4 | Confident | 81.2 | Confident | 133 Ų | 133 | 110.4 Ų | 110.4 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.9 | -45.3 | 172.4 | -174.5 | 172.5 | -161.1 | 0 | 0 | 111.7 | E219 E220 Q221 L225 R226 W227 | E219-E223 WeakPolarHBondContact O-CB 3.13Å; E219-E223 PolarHBondContact O-N 3.25Å; E220-E223 PolarHBondContact O-N 2.69Å; Q221-E223 VanDerWaalsContact C-N 3.34Å; E223-L225 VanDerWaalsContact C-N 3.26Å; E223-L225 PolarHBondContact O-N 2.71Å; E223-R226 CarbonylContact O-C 3.58Å; E223-R226 WeakPolarHBondContact O-CA 3.41Å; E223-R226 WeakPolarHBondContact O-CB 3.27Å; E223-R226 PolarHBondContact O-N 2.95Å; E223-W227 WeakPolarHBondContact O-CB 3.46Å; E223-W227 PolarHBondContact O-N 3.28Å |
| 224 | Y | 88.8 | Confident | 82.3 | Confident | 115 Ų | 115 | 106.8 Ų | 106.8 | 45% | 0.451 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -35.8 | 175.2 | -178.7 | -109.6 | 0 | 0 | 0 | 112.4 | P215 E220 Q221 W227 K228 | P215-Y224 HydrophobicContact CG-CD1 4.48Å; P215-Y224 HydrophobicContact CG-CG 4.14Å; E220-Y224 VanDerWaalsContact O-CB 3.31Å; E220-Y224 WeakPolarHBondContact O-CB 3.42Å; E220-Y224 PolarHBondContact O-N 3.06Å; Q221-Y224 PolarHBondContact O-N 2.77Å; Y224-W227 AromaticContact CD2-CE3 3.76Å; Y224-W227 HydrophobicContact CD2-CE3 3.76Å; Y224-W227 AromaticContact CD2-CZ3 4Å; Y224-W227 HydrophobicContact CD2-CZ3 4Å; Y224-W227 AromaticContact CE2-CE3 3.65Å; Y224-W227 HydrophobicContact CE2-CE3 3.65Å; Y224-W227 HydrophobicContact CE2-CH2 4.32Å; Y224-W227 AromaticContact CE2-CZ3 3.39Å; Y224-W227 HydrophobicContact CE2-CZ3 3.39Å; Y224-K228 WeakPolarHBondContact O-CB 3.42Å; Y224-K228 PolarHBondContact O-N 2.8Å |
| 225 | L | 90.3 | Very high | 83.7 | Confident | 107 Ų | 107 | 105.5 Ų | 105.5 | 56% | 0.56 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68.4 | -39.3 | 172.2 | -72.2 | 171.6 | 0 | 0 | 0 | 112.5 | Q221 E222 E223 K228 K229 | Q221-L225 WeakPolarHBondContact O-CG 3.41Å; Q221-L225 PolarHBondContact O-N 3.43Å; E222-L225 PolarHBondContact O-N 3.43Å; E223-L225 VanDerWaalsContact C-N 3.26Å; E223-L225 PolarHBondContact O-N 2.71Å; L225-K228 PolarHBondContact O-N 3.23Å; L225-K229 VanDerWaalsContact O-CB 3.31Å; L225-K229 WeakPolarHBondContact O-CB 3.24Å; L225-K229 PolarHBondContact O-N 2.87Å |
| 226 | R | 90.9 | Very high | 84.8 | Confident | 158 Ų | 158 | 111 Ų | 111 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.2 | -50.3 | 173.6 | -67.3 | 161.6 | -149.7 | -139.3 | 5.6 | 110.7 | E222 E223 K228 K229 E230 | E222-R226 WeakPolarHBondContact O-CD 3.41Å; E222-R226 WeakPolarHBondContact O-CG 3.3Å; E222-R226 PolarHBondContact O-N 2.84Å; E222-R226 PolarHBondContact O-NE 3.46Å; E222-R226 IonicContact OE2-NH2 3.35Å; E222-R226 PolarHBondContact OE2-NH2 2.88Å; E223-R226 CarbonylContact O-C 3.58Å; E223-R226 WeakPolarHBondContact O-CA 3.41Å; E223-R226 WeakPolarHBondContact O-CB 3.27Å; E223-R226 PolarHBondContact O-N 2.95Å; R226-K228 PolarHBondContact O-N 3.37Å; R226-K229 PolarHBondContact O-N 3.22Å; R226-E230 WeakPolarHBondContact O-CB 3.44Å; R226-E230 PolarHBondContact O-N 2.59Å |
| 227 | W | 94.3 | Very high | 85.4 | Confident | 101 Ų | 101 | 110.3 Ų | 110.3 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 174.8 | 172.6 | 87.6 | 0 | 0 | 0 | 112.9 | E223 Y224 E230 R231 | E223-W227 WeakPolarHBondContact O-CB 3.46Å; E223-W227 PolarHBondContact O-N 3.28Å; Y224-W227 AromaticContact CD2-CE3 3.76Å; Y224-W227 HydrophobicContact CD2-CE3 3.76Å; Y224-W227 AromaticContact CD2-CZ3 4Å; Y224-W227 HydrophobicContact CD2-CZ3 4Å; Y224-W227 AromaticContact CE2-CE3 3.65Å; Y224-W227 HydrophobicContact CE2-CE3 3.65Å; Y224-W227 HydrophobicContact CE2-CH2 4.32Å; Y224-W227 AromaticContact CE2-CZ3 3.39Å; Y224-W227 HydrophobicContact CE2-CZ3 3.39Å; W227-E230 PolarHBondContact O-N 3.2Å; W227-R231 HydrophobicContact CD2-CG 4.13Å; W227-R231 HydrophobicContact CZ2-CG 4.16Å; W227-R231 VanDerWaalsContact CZ2-CZ 3.47Å; W227-R231 VanDerWaalsContact CZ2-NH1 3.28Å; W227-R231 WeakPolarHBondContact O-CB 3.48Å; W227-R231 VanDerWaalsContact O-CG 3.3Å; W227-R231 WeakPolarHBondContact O-CG 3.47Å; W227-R231 PolarHBondContact O-N 2.94Å |
| 228 | K | 94.8 | Very high | 85.8 | Confident | 120 Ų | 120 | 113.5 Ų | 113.5 | 52% | 0.522 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 177 | -175.3 | 178.8 | 177.1 | -174 | 0 | 111.4 | Y224 L225 R226 E232 | Y224-K228 WeakPolarHBondContact O-CB 3.42Å; Y224-K228 PolarHBondContact O-N 2.8Å; L225-K228 PolarHBondContact O-N 3.23Å; R226-K228 PolarHBondContact O-N 3.37Å; K228-E232 WeakPolarHBondContact O-CB 3.44Å; K228-E232 PolarHBondContact O-N 3.47Å |
| 229 | K | 93 | Very high | 86 | Confident | 137 Ų | 137 | 107 Ų | 107 | 60% | 0.596 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68 | -36.7 | 175 | -174.5 | -179.2 | 179.7 | -176.5 | 0 | 112.1 | L225 R226 Q233 | L225-K229 VanDerWaalsContact O-CB 3.31Å; L225-K229 WeakPolarHBondContact O-CB 3.24Å; L225-K229 PolarHBondContact O-N 2.87Å; R226-K229 PolarHBondContact O-N 3.22Å; K229-Q233 WeakPolarHBondContact O-CB 3.28Å; K229-Q233 PolarHBondContact O-N 2.97Å |
| 230 | E | 92.3 | Very high | 85.9 | Confident | 105 Ų | 105 | 103.1 Ų | 103.1 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -49.9 | 172.2 | -175.4 | -159.1 | -166.5 | 0 | 0 | 110.8 | R226 W227 E232 Q233 I234 | R226-E230 WeakPolarHBondContact O-CB 3.44Å; R226-E230 PolarHBondContact O-N 2.59Å; W227-E230 PolarHBondContact O-N 3.2Å; E230-E232 VanDerWaalsContact C-N 3.3Å; E230-E232 PolarHBondContact O-N 3.14Å; E230-Q233 CarbonylContact O-C 3.58Å; E230-Q233 WeakPolarHBondContact O-CA 3.41Å; E230-Q233 WeakPolarHBondContact O-CB 3.41Å; E230-Q233 PolarHBondContact O-N 3.2Å; E230-I234 HydrophobicContact CG-CD1 3.92Å; E230-I234 HydrophobicContact CG-CG1 4.47Å; E230-I234 WeakPolarHBondContact O-CG1 3.28Å; E230-I234 PolarHBondContact O-N 2.99Å |
| 231 | R | 95.4 | Very high | 85.3 | Confident | 133 Ų | 133 | 107.3 Ų | 107.3 | 50% | 0.502 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -54.7 | -45.4 | 173 | -79.3 | -74.5 | 178.2 | 95.4 | -2.8 | 111.7 | W227 Q233 I234 D235 | W227-R231 HydrophobicContact CD2-CG 4.13Å; W227-R231 HydrophobicContact CZ2-CG 4.16Å; W227-R231 VanDerWaalsContact CZ2-CZ 3.47Å; W227-R231 VanDerWaalsContact CZ2-NH1 3.28Å; W227-R231 WeakPolarHBondContact O-CB 3.48Å; W227-R231 VanDerWaalsContact O-CG 3.3Å; W227-R231 WeakPolarHBondContact O-CG 3.47Å; W227-R231 PolarHBondContact O-N 2.94Å; R231-Q233 VanDerWaalsContact C-N 3.33Å; R231-I234 PolarHBondContact O-N 3.04Å; R231-D235 VanDerWaalsContact O-CB 3.3Å; R231-D235 WeakPolarHBondContact O-CB 3.43Å; R231-D235 PolarHBondContact O-N 3.39Å |
| 232 | E | 91.5 | Very high | 84.5 | Confident | 118 Ų | 118 | 105.3 Ų | 105.3 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.1 | -32.8 | 174.7 | -178.3 | 176.8 | -135.3 | 0 | 0 | 112.6 | K228 E230 R236 | K228-E232 WeakPolarHBondContact O-CB 3.44Å; K228-E232 PolarHBondContact O-N 3.47Å; E230-E232 VanDerWaalsContact C-N 3.3Å; E230-E232 PolarHBondContact O-N 3.14Å; E232-R236 VanDerWaalsContact O-CB 3.28Å; E232-R236 WeakPolarHBondContact O-CB 3.31Å; E232-R236 VanDerWaalsContact O-CG 3.23Å; E232-R236 WeakPolarHBondContact O-CG 3.32Å; E232-R236 PolarHBondContact O-N 3.28Å; E232-R236 PolarHBondContact O-NE 2.95Å |
| 233 | Q | 88.7 | Confident | 83.6 | Confident | 109 Ų | 109 | 107.3 Ų | 107.3 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.3 | -49.8 | 173.2 | -177.7 | 165.3 | -53.4 | 0 | 0 | 111.6 | K229 E230 R231 D235 R236 E237 | K229-Q233 WeakPolarHBondContact O-CB 3.28Å; K229-Q233 PolarHBondContact O-N 2.97Å; E230-Q233 CarbonylContact O-C 3.58Å; E230-Q233 WeakPolarHBondContact O-CA 3.41Å; E230-Q233 WeakPolarHBondContact O-CB 3.41Å; E230-Q233 PolarHBondContact O-N 3.2Å; R231-Q233 VanDerWaalsContact C-N 3.33Å; Q233-D235 VanDerWaalsContact C-N 3.27Å; Q233-D235 PolarHBondContact O-N 3.35Å; Q233-R236 PolarHBondContact O-N 3.48Å; Q233-E237 WeakPolarHBondContact O-CB 3.49Å; Q233-E237 PolarHBondContact O-N 2.86Å |
| 234 | I | 81.4 | Confident | 82.7 | Confident | 66 Ų | 66 | 103.5 Ų | 103.5 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 176 | -63.5 | 167.4 | 0 | 0 | 0 | 110.1 | E230 R231 R238 | E230-I234 HydrophobicContact CG-CD1 3.92Å; E230-I234 HydrophobicContact CG-CG1 4.47Å; E230-I234 WeakPolarHBondContact O-CG1 3.28Å; E230-I234 PolarHBondContact O-N 2.99Å; R231-I234 PolarHBondContact O-N 3.04Å; I234-R238 WeakPolarHBondContact O-CB 3.5Å; I234-R238 PolarHBondContact O-N 3.37Å |
| 235 | D | 91.8 | Very high | 81.8 | Confident | 74 Ų | 74 | 103.7 Ų | 103.7 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.6 | -45.5 | 175.9 | -85.5 | 33.5 | 0 | 0 | 0 | 111.9 | R231 Q233 E237 R238 V239 | R231-D235 VanDerWaalsContact O-CB 3.3Å; R231-D235 WeakPolarHBondContact O-CB 3.43Å; R231-D235 PolarHBondContact O-N 3.39Å; Q233-D235 VanDerWaalsContact C-N 3.27Å; Q233-D235 PolarHBondContact O-N 3.35Å; D235-E237 VanDerWaalsContact C-N 3.31Å; D235-E237 PolarHBondContact O-N 2.84Å; D235-R238 PolarHBondContact O-N 2.81Å; D235-R238 IonicContact OD1-CZ 2.66Å; D235-R238 IonicContact OD1-NH1 2.91Å; D235-R238 PolarHBondContact OD1-NH1 2.9Å; D235-R238 IonicContact OD1-NH2 3.98Å; D235-R238 PolarHBondContact OD1-NH2 2.96Å; D235-R238 IonicContact OD2-NH1 2.7Å; D235-R238 PolarHBondContact OD2-NH1 3.3Å; D235-V239 WeakPolarHBondContact O-CB 3.29Å; D235-V239 VanDerWaalsContact O-CG2 3.22Å; D235-V239 WeakPolarHBondContact O-CG2 3.39Å; D235-V239 PolarHBondContact O-N 3.03Å |
| 236 | R | 82.8 | Confident | 80.7 | Confident | 136 Ų | 136 | 104.7 Ų | 104.7 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 173.1 | -79.8 | -180 | -67.1 | 130 | -3 | 111.8 | E232 Q233 V239 A240 | E232-R236 VanDerWaalsContact O-CB 3.28Å; E232-R236 WeakPolarHBondContact O-CB 3.31Å; E232-R236 VanDerWaalsContact O-CG 3.23Å; E232-R236 WeakPolarHBondContact O-CG 3.32Å; E232-R236 PolarHBondContact O-N 3.28Å; E232-R236 PolarHBondContact O-NE 2.95Å; Q233-R236 PolarHBondContact O-N 3.48Å; R236-V239 PolarHBondContact O-N 2.8Å; R236-A240 WeakPolarHBondContact O-CB 3.36Å; R236-A240 PolarHBondContact O-N 3.2Å |
| 237 | E | 76.3 | Confident | 79.8 | Confident | 82 Ų | 82 | 99.4 Ų | 99.4 | 38% | 0.383 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | -179.9 | -166.6 | -164.3 | -141.7 | 0 | 0 | 111.7 | Q233 D235 V239 A240 R241 | Q233-E237 WeakPolarHBondContact O-CB 3.49Å; Q233-E237 PolarHBondContact O-N 2.86Å; D235-E237 VanDerWaalsContact C-N 3.31Å; D235-E237 PolarHBondContact O-N 2.84Å; E237-V239 VanDerWaalsContact C-N 3.33Å; E237-V239 PolarHBondContact O-N 3.28Å; E237-A240 PolarHBondContact O-N 3.48Å; E237-R241 WeakPolarHBondContact O-CG 3.29Å; E237-R241 PolarHBondContact O-N 3.16Å; E237-R241 IonicContact OE1-CZ 2.7Å; E237-R241 IonicContact OE1-NH1 2.69Å; E237-R241 PolarHBondContact OE1-NH1 3.3Å; E237-R241 IonicContact OE1-NH2 3.36Å; E237-R241 PolarHBondContact OE1-NH2 3.29Å; E237-R241 IonicContact OE2-CZ 2.73Å; E237-R241 IonicContact OE2-NH1 3.1Å; E237-R241 PolarHBondContact OE2-NH1 3.4Å; E237-R241 IonicContact OE2-NH2 3.09Å |
| 238 | R | 78.6 | Confident | 78.9 | Confident | 113 Ų | 113 | 98.6 Ų | 98.6 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 171.4 | -168.8 | -167.6 | -50.4 | 123.2 | 11.3 | 111.4 | I234 D235 H242 | I234-R238 WeakPolarHBondContact O-CB 3.5Å; I234-R238 PolarHBondContact O-N 3.37Å; D235-R238 PolarHBondContact O-N 2.81Å; D235-R238 IonicContact OD1-CZ 2.66Å; D235-R238 IonicContact OD1-NH1 2.91Å; D235-R238 PolarHBondContact OD1-NH1 2.9Å; D235-R238 IonicContact OD1-NH2 3.98Å; D235-R238 PolarHBondContact OD1-NH2 2.96Å; D235-R238 IonicContact OD2-NH1 2.7Å; D235-R238 PolarHBondContact OD2-NH1 3.3Å; R238-H242 VanDerWaalsContact O-CB 3.27Å; R238-H242 WeakPolarHBondContact O-CB 3.46Å; R238-H242 PolarHBondContact O-CD2 3.44Å; R238-H242 VanDerWaalsContact O-CD2 3.22Å; R238-H242 PolarHBondContact O-N 3.07Å; R238-H242 VanDerWaalsContact O-N 3.12Å |
| 239 | V | 72.8 | Confident | 78 | Confident | 47 Ų | 47 | 100.9 Ų | 100.9 | 29% | 0.285 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 175 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | D235 R236 E237 H242 K243 W249 | D235-V239 WeakPolarHBondContact O-CB 3.29Å; D235-V239 VanDerWaalsContact O-CG2 3.22Å; D235-V239 WeakPolarHBondContact O-CG2 3.39Å; D235-V239 PolarHBondContact O-N 3.03Å; R236-V239 PolarHBondContact O-N 2.8Å; E237-V239 VanDerWaalsContact C-N 3.33Å; E237-V239 PolarHBondContact O-N 3.28Å; V239-H242 PolarHBondContact O-N 3.43Å; V239-K243 HydrophobicContact CG1-CD 3.96Å; V239-K243 HydrophobicContact CG1-CG 4.42Å; V239-K243 WeakPolarHBondContact O-CG 3.42Å; V239-K243 PolarHBondContact O-N 3.37Å; V239-W249 HydrophobicContact CB-CH2 4.32Å; V239-W249 HydrophobicContact CB-CZ3 4.34Å; V239-W249 HydrophobicContact CG1-CH2 3.81Å; V239-W249 HydrophobicContact CG1-CZ3 4.17Å; V239-W249 HydrophobicContact CG2-CH2 3.77Å; V239-W249 HydrophobicContact CG2-CZ3 3.86Å |
| 240 | A | 72.5 | Confident | 77 | Confident | 67 Ų | 67 | 97 Ų | 97 | 55% | 0.554 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.7 | -50.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | R236 E237 H242 K243 | R236-A240 WeakPolarHBondContact O-CB 3.36Å; R236-A240 PolarHBondContact O-N 3.2Å; E237-A240 PolarHBondContact O-N 3.48Å; A240-H242 PolarHBondContact O-N 3.29Å; A240-K243 PolarHBondContact O-N 2.98Å |
| 241 | R | 66.5 | Low | 76.2 | Confident | 174 Ų | 174 | 98.5 Ų | 98.5 | 66% | 0.657 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.2 | -23.9 | 176 | -70.3 | -169.2 | -176.3 | 107.7 | 8 | 113.7 | E237 | E237-R241 WeakPolarHBondContact O-CG 3.29Å; E237-R241 PolarHBondContact O-N 3.16Å; E237-R241 IonicContact OE1-CZ 2.7Å; E237-R241 IonicContact OE1-NH1 2.69Å; E237-R241 PolarHBondContact OE1-NH1 3.3Å; E237-R241 IonicContact OE1-NH2 3.36Å; E237-R241 PolarHBondContact OE1-NH2 3.29Å; E237-R241 IonicContact OE2-CZ 2.73Å; E237-R241 IonicContact OE2-NH1 3.1Å; E237-R241 PolarHBondContact OE2-NH1 3.4Å; E237-R241 IonicContact OE2-NH2 3.09Å |
| 242 | H | 61.6 | Low | 75 | Confident | 52 Ų | 52 | 96 Ų | 96 | 24% | 0.241 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -96.2 | -14.4 | -179.4 | -69.5 | -22.8 | 0 | 0 | 0 | 115 | R238 V239 A240 W249 R250 | R238-H242 VanDerWaalsContact O-CB 3.27Å; R238-H242 WeakPolarHBondContact O-CB 3.46Å; R238-H242 PolarHBondContact O-CD2 3.44Å; R238-H242 VanDerWaalsContact O-CD2 3.22Å; R238-H242 PolarHBondContact O-N 3.07Å; R238-H242 VanDerWaalsContact O-N 3.12Å; V239-H242 PolarHBondContact O-N 3.43Å; A240-H242 PolarHBondContact O-N 3.29Å; H242-W249 HydrophobicContact CB-CE3 4.19Å; H242-W249 CarbonylContact O-C 3.58Å; H242-W249 VanDerWaalsContact O-CA 3.26Å; H242-W249 WeakPolarHBondContact O-CA 3.4Å; H242-R250 WeakPolarHBondContact CA-O 3.35Å; H242-R250 PolarHBondContact ND1-O 2.93Å; H242-R250 PolarHBondContact O-N 2.81Å |
| 243 | K | 65.9 | Low | 74 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 47% | 0.465 | 48% | 0.482 | S | S | . | . | B | Isolated β-bridge | trans | -86.7 | 109.3 | 171.1 | -77 | 175.9 | 176.9 | 177.2 | 0 | 109.6 | V239 A240 | V239-K243 HydrophobicContact CG1-CD 3.96Å; V239-K243 HydrophobicContact CG1-CG 4.42Å; V239-K243 WeakPolarHBondContact O-CG 3.42Å; V239-K243 PolarHBondContact O-N 3.37Å; A240-K243 PolarHBondContact O-N 2.98Å |
| 244 | N | 66 | Low | 73.4 | Confident | 52 Ų | 52 | 93.8 Ų | 93.8 | 28% | 0.278 | 46% | 0.461 | S | S | . | . | | | trans | -66.8 | 169 | 163.9 | 70.1 | 7.6 | 0 | 0 | 0 | 110.5 | K246 G247 Q248 | N244-K246 PolarHBondContact O-N 2.87Å; N244-K246 WeakPolarHBondContact OD1-CA 3.49Å; N244-K246 WeakPolarHBondContact OD1-CB 3.44Å; N244-K246 PolarHBondContact OD1-N 3.35Å; N244-K246 VanDerWaalsContact OD1-N 3.13Å; N244-G247 WeakPolarHBondContact O-CA 3.26Å; N244-G247 PolarHBondContact O-N 3.39Å; N244-G247 PolarHBondContact OD1-N 2.96Å; N244-Q248 PolarHBondContact N-O 2.95Å; N244-Q248 VanDerWaalsContact N-O 3.14Å; N244-Q248 PolarHBondContact ND2-OE1 3.05Å; N244-Q248 WeakPolarHBondContact OD1-CB 3.36Å; N244-Q248 PolarHBondContact OD1-N 3.06Å; N244-Q248 PolarHBondContact OD1-O 3.05Å |
| 245 | A | 71 | Confident | 72.7 | Confident | 119 Ų | 119 | 97.1 Ų | 97.1 | 98% | 0.983 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G247 | A245-G247 VanDerWaalsContact C-N 3.33Š|
| 246 | K | 67.6 | Low | 71.6 | Confident | 129 Ų | 129 | 100.4 Ų | 100.4 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 4 | 171.7 | -58.8 | 175.5 | 174.6 | 177 | 0 | 113.1 | N244 Q248 E259 | N244-K246 PolarHBondContact O-N 2.87Å; N244-K246 WeakPolarHBondContact OD1-CA 3.49Å; N244-K246 WeakPolarHBondContact OD1-CB 3.44Å; N244-K246 PolarHBondContact OD1-N 3.35Å; N244-K246 VanDerWaalsContact OD1-N 3.13Å; K246-Q248 VanDerWaalsContact C-N 3.26Å; K246-Q248 HydrophobicContact CB-CG 4.2Å; K246-Q248 PolarHBondContact O-N 3.02Å; K246-E259 IonicContact NZ-OE1 3.62Å; K246-E259 PolarHBondContact NZ-OE1 2.89Å; K246-E259 IonicContact NZ-OE2 2.63Å; K246-E259 PolarHBondContact NZ-OE2 2.92Å |
| 247 | G | 72 | Confident | 71.1 | Confident | 47 Ų | 47 | 96.1 Ų | 96.1 | 49% | 0.485 | 48% | 0.48 | S | S | . | . | S | Bend | trans | 73.8 | 6.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N244 A245 | N244-G247 WeakPolarHBondContact O-CA 3.26Å; N244-G247 PolarHBondContact O-N 3.39Å; N244-G247 PolarHBondContact OD1-N 2.96Å; A245-G247 VanDerWaalsContact C-N 3.33Å |
| 248 | Q | 75.1 | Confident | 70.7 | Confident | 84 Ų | 84 | 96.1 Ų | 96.1 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | | | trans | -85.8 | 144.8 | -177.3 | -56.3 | 166.8 | -25.3 | 0 | 0 | 111.3 | N244 K246 | N244-Q248 PolarHBondContact N-O 2.95Å; N244-Q248 VanDerWaalsContact N-O 3.14Å; N244-Q248 PolarHBondContact ND2-OE1 3.05Å; N244-Q248 WeakPolarHBondContact OD1-CB 3.36Å; N244-Q248 PolarHBondContact OD1-N 3.06Å; N244-Q248 PolarHBondContact OD1-O 3.05Å; K246-Q248 VanDerWaalsContact C-N 3.26Å; K246-Q248 HydrophobicContact CB-CG 4.2Å; K246-Q248 PolarHBondContact O-N 3.02Å |
| 249 | W | 74.6 | Confident | 69.9 | Low | 167 Ų | 167 | 95.2 Ų | 95.2 | 63% | 0.633 | 49% | 0.486 | S | S | * | . | B | Isolated β-bridge | trans | -84.8 | 111.1 | 178.9 | -61.5 | 80.1 | 0 | 0 | 0 | 111.3 | V239 H242 | V239-W249 HydrophobicContact CB-CH2 4.32Å; V239-W249 HydrophobicContact CB-CZ3 4.34Å; V239-W249 HydrophobicContact CG1-CH2 3.81Å; V239-W249 HydrophobicContact CG1-CZ3 4.17Å; V239-W249 HydrophobicContact CG2-CH2 3.77Å; V239-W249 HydrophobicContact CG2-CZ3 3.86Å; H242-W249 HydrophobicContact CB-CE3 4.19Å; H242-W249 CarbonylContact O-C 3.58Å; H242-W249 VanDerWaalsContact O-CA 3.26Å; H242-W249 WeakPolarHBondContact O-CA 3.4Å |
| 250 | R | 72.1 | Confident | 69.5 | Low | 57 Ų | 57 | 98.9 Ų | 98.9 | 22% | 0.215 | 50% | 0.504 | C | S | . | . | | | trans | -127.9 | 135.7 | 173.6 | -49.6 | -166.3 | 102.1 | -140.9 | 1.4 | 110.7 | H242 D254 M255 K257 | H242-R250 WeakPolarHBondContact CA-O 3.35Å; H242-R250 PolarHBondContact ND1-O 2.93Å; H242-R250 PolarHBondContact O-N 2.81Å; R250-D254 HydrophobicContact CB-CB 4.07Å; R250-D254 PolarHBondContact NH1-O 3.47Å; R250-D254 PolarHBondContact NH2-O 3.44Å; R250-M255 PolarHBondContact NH1-O 3.4Å; R250-K257 PolarHBondContact NH1-O 2.94Å; R250-K257 PolarHBondContact NH2-O 2.94Å |
| 251 | R | 76.9 | Confident | 69.1 | Low | 136 Ų | 136 | 101.8 Ų | 101.8 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | | | trans | -85.1 | 169.4 | 169.6 | -56 | 172.6 | -164.5 | 79.7 | -2.3 | 110.2 | W253 D254 M255 | R251-W253 PolarHBondContact O-N 2.62Å; R251-D254 VanDerWaalsContact CB-OD2 3.25Å; R251-D254 WeakPolarHBondContact CB-OD2 3.2Å; R251-D254 WeakPolarHBondContact CG-OD2 3.49Å; R251-D254 IonicContact CZ-OD2 3.31Å; R251-D254 PolarHBondContact N-OD2 2.85Å; R251-D254 IonicContact NH1-OD2 2.94Å; R251-D254 PolarHBondContact NH1-OD2 3.36Å; R251-D254 WeakPolarHBondContact O-CA 3.47Å; R251-D254 WeakPolarHBondContact O-CB 3.34Å; R251-D254 PolarHBondContact O-N 2.96Å; R251-M255 PolarHBondContact O-N 3.44Å |
| 252 | A | 69.3 | Low | 69 | Low | 80 Ų | 80 | 99.8 Ų | 99.8 | 66% | 0.661 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -52.5 | -50.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D254 M255 | A252-D254 PolarHBondContact O-N 3.36Å; A252-M255 VanDerWaalsContact O-CB 3.28Å; A252-M255 WeakPolarHBondContact O-CB 3.48Å; A252-M255 WeakPolarHBondContact O-CG 3.45Å; A252-M255 PolarHBondContact O-N 2.91Å |
| 253 | W | 71.1 | Confident | 68.9 | Low | 165 Ų | 165 | 100 Ų | 100 | 63% | 0.625 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -73.5 | -1.2 | 175.7 | 78.8 | -84.8 | 0 | 0 | 0 | 115.1 | R251 | R251-W253 PolarHBondContact O-N 2.62Š|
| 254 | D | 76.6 | Confident | 68.2 | Low | 16 Ų | 16 | 101.8 Ų | 101.8 | 9% | 0.086 | 53% | 0.526 | C | S | . | . | G | 310 helix | trans | -87.8 | -10.7 | 167.3 | -67.1 | -57.9 | 0 | 0 | 0 | 111.4 | R250 R251 A252 K257 | R250-D254 HydrophobicContact CB-CB 4.07Å; R250-D254 PolarHBondContact NH1-O 3.47Å; R250-D254 PolarHBondContact NH2-O 3.44Å; R251-D254 VanDerWaalsContact CB-OD2 3.25Å; R251-D254 WeakPolarHBondContact CB-OD2 3.2Å; R251-D254 WeakPolarHBondContact CG-OD2 3.49Å; R251-D254 IonicContact CZ-OD2 3.31Å; R251-D254 PolarHBondContact N-OD2 2.85Å; R251-D254 IonicContact NH1-OD2 2.94Å; R251-D254 PolarHBondContact NH1-OD2 3.36Å; R251-D254 WeakPolarHBondContact O-CA 3.47Å; R251-D254 WeakPolarHBondContact O-CB 3.34Å; R251-D254 PolarHBondContact O-N 2.96Å; A252-D254 PolarHBondContact O-N 3.36Å; D254-K257 WeakPolarHBondContact O-CB 3.43Å; D254-K257 PolarHBondContact O-N 3.28Å; D254-K257 IonicContact OD1-NZ 3.36Å; D254-K257 PolarHBondContact OD1-NZ 3.14Å |
| 255 | M | 66.4 | Low | 67.5 | Low | 136 Ų | 136 | 108.1 Ų | 108.1 | 67% | 0.67 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -52.8 | -178.2 | -70.2 | -168.9 | 64.9 | 0 | 0 | 112.4 | R250 R251 A252 K257 | R250-M255 PolarHBondContact NH1-O 3.4Å; R251-M255 PolarHBondContact O-N 3.44Å; A252-M255 VanDerWaalsContact O-CB 3.28Å; A252-M255 WeakPolarHBondContact O-CB 3.48Å; A252-M255 WeakPolarHBondContact O-CG 3.45Å; A252-M255 PolarHBondContact O-N 2.91Å; M255-K257 CarbonylContact O-C 3.55Å; M255-K257 PolarHBondContact O-N 3.2Å |
| 256 | D | 69 | Low | 66.6 | Low | 143 Ų | 143 | 107.1 Ų | 107.1 | 77% | 0.765 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.1 | -178.3 | -46.7 | -33 | 0 | 0 | 0 | 113.8 | T258 | D256-T258 PolarHBondContact O-N 2.85Š|
| 257 | K | 71.4 | Confident | 65.7 | Low | 46 Ų | 46 | 108.3 Ų | 108.3 | 20% | 0.2 | 55% | 0.549 | C | S | . | . | S | Bend | trans | -75.6 | 96.8 | 169.4 | -56.6 | 173 | -164.9 | 164.8 | 0 | 107.7 | R250 D254 M255 M261 F262 | R250-K257 PolarHBondContact NH1-O 2.94Å; R250-K257 PolarHBondContact NH2-O 2.94Å; D254-K257 WeakPolarHBondContact O-CB 3.43Å; D254-K257 PolarHBondContact O-N 3.28Å; D254-K257 IonicContact OD1-NZ 3.36Å; D254-K257 PolarHBondContact OD1-NZ 3.14Å; M255-K257 CarbonylContact O-C 3.55Å; M255-K257 PolarHBondContact O-N 3.2Å; K257-M261 HydrophobicContact CB-CE 3.96Å; K257-M261 HydrophobicContact CG-CE 4.08Å; K257-F262 HydrophobicContact CB-CE2 3.9Å; K257-F262 HydrophobicContact CD-CE2 4.43Å; K257-F262 HydrophobicContact CD-CZ 4.29Å |
| 258 | T | 68.4 | Low | 64.6 | Low | 81 Ų | 81 | 111.6 Ų | 111.6 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | | | trans | -52 | 146.6 | 175.3 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | D256 N260 M261 | D256-T258 PolarHBondContact O-N 2.85Å; T258-N260 PolarHBondContact O-N 3.11Å; T258-N260 VanDerWaalsContact O-N 3.15Å; T258-M261 PolarHBondContact O-N 3.39Å |
| 259 | E | 62.2 | Low | 63.3 | Low | 95 Ų | 95 | 115.3 Ų | 115.3 | 44% | 0.444 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.9 | -32.1 | -178.5 | -162.7 | 163.2 | 173.8 | 0 | 0 | 110.9 | K246 M261 F262 S263 | K246-E259 IonicContact NZ-OE1 3.62Å; K246-E259 PolarHBondContact NZ-OE1 2.89Å; K246-E259 IonicContact NZ-OE2 2.63Å; K246-E259 PolarHBondContact NZ-OE2 2.92Å; E259-M261 VanDerWaalsContact C-N 3.29Å; E259-M261 PolarHBondContact O-N 3.3Å; E259-F262 CarbonylContact O-C 3.56Å; E259-F262 WeakPolarHBondContact O-CA 3.49Å; E259-F262 PolarHBondContact O-N 2.93Å; E259-S263 PolarHBondContact O-N 3.14Å; E259-S263 PolarHBondContact O-OG 3.33Å; E259-S263 VanDerWaalsContact O-OG 3.07Å |
| 260 | N | 62.5 | Low | 61.8 | Low | 123 Ų | 123 | 117.4 Ų | 117.4 | 66% | 0.658 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -48.2 | -38.9 | 170.7 | -70.9 | 72.7 | 0 | 0 | 0 | 115.2 | T258 F262 S263 D264 | T258-N260 PolarHBondContact O-N 3.11Å; T258-N260 VanDerWaalsContact O-N 3.15Å; N260-F262 PolarHBondContact O-N 2.97Å; N260-S263 PolarHBondContact O-N 3.06Å; N260-D264 PolarHBondContact O-N 3.44Å |
| 261 | M | 65.4 | Low | 60.3 | Low | 128 Ų | 128 | 120.5 Ų | 120.5 | 63% | 0.631 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.2 | -10.1 | 178.1 | -69.6 | -151.3 | -65.6 | 0 | 0 | 113.5 | K257 T258 E259 | K257-M261 HydrophobicContact CB-CE 3.96Å; K257-M261 HydrophobicContact CG-CE 4.08Å; T258-M261 PolarHBondContact O-N 3.39Å; E259-M261 VanDerWaalsContact C-N 3.29Å; E259-M261 PolarHBondContact O-N 3.3Å |
| 262 | F | 63.1 | Low | 58.6 | Low | 133 Ų | 133 | 126 Ų | 126 | 58% | 0.583 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -106.3 | -24.6 | 170.2 | -62.1 | -84.5 | 0 | 0 | 0 | 112.4 | K257 E259 N260 D264 | K257-F262 HydrophobicContact CB-CE2 3.9Å; K257-F262 HydrophobicContact CD-CE2 4.43Å; K257-F262 HydrophobicContact CD-CZ 4.29Å; E259-F262 CarbonylContact O-C 3.56Å; E259-F262 WeakPolarHBondContact O-CA 3.49Å; E259-F262 PolarHBondContact O-N 2.93Å; N260-F262 PolarHBondContact O-N 2.97Å; F262-D264 VanDerWaalsContact C-N 3.25Å; F262-D264 PolarHBondContact O-N 3.36Å |
| 263 | S | 60.8 | Low | 56.9 | Low | 55 Ų | 55 | 126.1 Ų | 126.1 | 39% | 0.385 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69 | -15.1 | 176.1 | -53 | 0 | 0 | 0 | 0 | 114.8 | E259 N260 K265 S266 | E259-S263 PolarHBondContact O-N 3.14Å; E259-S263 PolarHBondContact O-OG 3.33Å; E259-S263 VanDerWaalsContact O-OG 3.07Å; N260-S263 PolarHBondContact O-N 3.06Å; S263-K265 PolarHBondContact O-N 3.14Å; S263-S266 PolarHBondContact O-N 3.16Å; S263-S266 PolarHBondContact O-OG 3.18Å; S263-S266 VanDerWaalsContact O-OG 3.13Å |
| 264 | D | 50.3 | Low | 55.3 | Low | 145 Ų | 145 | 122.9 Ų | 122.9 | 78% | 0.775 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 20.5 | -173.1 | -150.7 | 33.5 | 0 | 0 | 0 | 115.3 | N260 F262 | N260-D264 PolarHBondContact O-N 3.44Å; F262-D264 VanDerWaalsContact C-N 3.25Å; F262-D264 PolarHBondContact O-N 3.36Å |
| 265 | K | 52.8 | Low | 53.4 | Low | 185 Ų | 185 | 127.9 Ų | 127.9 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.7 | -3.2 | 178.4 | -64.5 | -177.1 | -176.4 | 169.6 | 0 | 114.2 | S263 L267 | S263-K265 PolarHBondContact O-N 3.14Å; K265-L267 PolarHBondContact O-N 2.75Å |
| 266 | S | 52 | Low | 52.4 | Low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | | | trans | -79.4 | 63.2 | 166.9 | 62.3 | 0 | 0 | 0 | 0 | 110.1 | S263 | S263-S266 PolarHBondContact O-N 3.16Å; S263-S266 PolarHBondContact O-OG 3.18Å; S263-S266 VanDerWaalsContact O-OG 3.13Å |
| 267 | L | 47.1 | Very low | 51 | Low | 154 Ų | 154 | 130.4 Ų | 130.4 | 81% | 0.806 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.5 | 165.3 | -68.7 | 173.2 | 0 | 0 | 0 | 108.2 | K265 D269 | K265-L267 PolarHBondContact O-N 2.75Å; L267-D269 PolarHBondContact O-N 2.93Å |
| 268 | P | 49.6 | Very low | 49.1 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 138.6 | 179.4 | 26.8 | -34 | 0 | 0 | 0 | 110.4 | R270 | P268-R270 PolarHBondContact O-N 2.97Š|
| 269 | D | 47.3 | Very low | 47.6 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 127.9 | 174 | -171.5 | 15 | 0 | 0 | 0 | 110.4 | L267 | L267-D269 PolarHBondContact O-N 2.93Š|
| 270 | R | 43.2 | Very low | 46.8 | Very low | 212 Ų | 212 | 138.2 Ų | 138.2 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | trans | -156.4 | 95.6 | 173.2 | -176.5 | 121.6 | 74.2 | 156.1 | 4.1 | 110.2 | P268 | P268-R270 PolarHBondContact O-N 2.97Š|
| 271 | D | 41.3 | Very low | 45.8 | Very low | 122 Ų | 122 | 140 Ų | 140 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | | | trans | 44 | 96.3 | 142.4 | -46.7 | -46.7 | 0 | 0 | 0 | 116.5 | | |
| 272 | W | 40.1 | Very low | 44.6 | Very low | 252 Ų | 252 | 138.7 Ų | 138.7 | 96% | 0.955 | 77% | 0.771 | S | S | * | * | | | | -163.9 | 145.1 | 92.7 | -100.8 | 98.3 | 0 | 0 | 0 | 111.6 | | |
| 273 | A | 33.6 | Very low | 43.8 | Very low | 82 Ų | 82 | 144.1 Ų | 144.1 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -82.2 | 163.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 274 | A | 37.3 | Very low | 42.8 | Very low | 96 Ų | 96 | 153.6 Ų | 153.6 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | | | trans | 41.1 | 130.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 275 | S | 37.4 | Very low | 42 | Very low | 122 Ų | 122 | 150 Ų | 150 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | | -170.3 | 177.9 | 59.3 | -162.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 276 | A | 44.5 | Very low | 41.5 | Very low | 85 Ų | 85 | 146.8 Ų | 146.8 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | | | trans | -80.2 | 176.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 277 | R | 39.7 | Very low | 40.7 | Very low | 246 Ų | 246 | 152.1 Ų | 152.1 | 93% | 0.928 | 82% | 0.824 | S | S | * | * | | | trans | 90.9 | 58.4 | 167.5 | -52.5 | -175.8 | 175.8 | -154.6 | -0.8 | 119.5 | | |
| 278 | G | 32.3 | Very low | 40 | Very low | 84 Ų | 84 | 149.6 Ų | 149.6 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | | | | 62.8 | -160.2 | 128.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 279 | G | 36.6 | Very low | 39.4 | Very low | 74 Ų | 74 | 147.4 Ų | 147.4 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | | | trans | 109.6 | 75.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 280 | R | 46.7 | Very low | 38.8 | Very low | 229 Ų | 229 | 145.4 Ų | 145.4 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | | | trans | 50.1 | 110.3 | 142.3 | -58.6 | 174.9 | -173.3 | 153.2 | 2.5 | 119.5 | A282 | R280-A282 PolarHBondContact O-N 3.21Š|
| 281 | N | 41.6 | Very low | 38.4 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | | | trans | -8.8 | 111.1 | 141 | 45.2 | -92.1 | 0 | 0 | 0 | 118.2 | | |
| 282 | A | 38.2 | Very low | 38 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | trans | -103.3 | 132 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R280 | R280-A282 PolarHBondContact O-N 3.21Š|
| 283 | R | 47.7 | Very low | 38 | Very low | 248 Ų | 248 | 138.4 Ų | 138.4 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | | | trans | -138.3 | 146.5 | 164 | -85.6 | -168.5 | 173.6 | -141.4 | -0.6 | 108.7 | | |
| 284 | R | 40.3 | Very low | 38.4 | Very low | 254 Ų | 254 | 140.8 Ų | 140.8 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | | | trans | 89.3 | 136.3 | 169 | -171 | -179.4 | -77.1 | -98 | 2.1 | 116.8 | | |
| 285 | G | 32.8 | Very low | 38.7 | Very low | 70 Ų | 70 | 143.5 Ų | 143.5 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | trans | 105.1 | 104 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 286 | S | 41.7 | Very low | 38.8 | Very low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | cis | 88.6 | 100.3 | 14.6 | -161.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 287 | K | 35.8 | Very low | 38.5 | Very low | 210 Ų | 210 | 148.8 Ų | 148.8 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | | | trans | 160.2 | 154.1 | 156.5 | -91.8 | 166.4 | -179.9 | -177.1 | 0 | 108.3 | | |
| 288 | A | 32.9 | Very low | 38.7 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | | | cis | -166.1 | 166.4 | -19.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 289 | G | 35.9 | Very low | 39.1 | Very low | 70 Ų | 70 | 148.6 Ų | 148.6 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | 118.4 | 116.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 290 | S | 34.1 | Very low | 39.6 | Very low | 120 Ų | 120 | 154.7 Ų | 154.7 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | | | | 61.6 | 121.3 | 58.2 | -157.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 291 | K | 35.7 | Very low | 39.1 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | | | cis | -161.6 | 148.8 | 22.7 | -164.2 | 173.8 | -179.1 | -179.9 | 0 | 105.8 | | |
| 292 | G | 33.6 | Very low | 39.1 | Very low | 68 Ų | 68 | 145.4 Ų | 145.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | cis | 116.5 | 72.7 | 20.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 293 | H | 39.7 | Very low | 40 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.787 | 82% | 0.815 | S | S | * | * | | | trans | -158 | 156.7 | 157.8 | -162.1 | -101.4 | 0 | 0 | 0 | 112.7 | | |
| 294 | D | 41.2 | Very low | 40.1 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | trans | -112.8 | -160 | -169.2 | -143.1 | -67.3 | 0 | 0 | 0 | 111.4 | | |
| 295 | K | 45.1 | Very low | 40 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 66% | 0.661 | 80% | 0.801 | S | S | * | * | | | trans | 97.5 | 103.2 | 158.7 | -47.6 | -64.1 | 179.7 | 171.8 | 0 | 118.8 | | |
| 296 | R | 38.8 | Very low | 40.4 | Very low | 237 Ų | 237 | 144.9 Ų | 144.9 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | | | | 22.1 | 121.4 | 123.1 | -52.6 | 178.2 | -167.3 | -163.4 | 0.4 | 117.2 | | |
| 297 | G | 37.8 | Very low | 40.5 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | -80.5 | -176 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 298 | K | 44.3 | Very low | 40.8 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | | | trans | -148.5 | 153.1 | 173.4 | -164.6 | 62.8 | 172.9 | 177.6 | 0 | 110 | | |
| 299 | D | 40 | Very low | 41.4 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | | | trans | -94.8 | 174.1 | -159.2 | -43.2 | -99.2 | 0 | 0 | 0 | 116.4 | | |
| 300 | K | 47.5 | Very low | 41.9 | Very low | 203 Ų | 203 | 144.2 Ų | 144.2 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | 89.4 | 99 | 153.3 | -46.7 | -158.2 | -179.1 | -175.6 | 0 | 120.3 | | |
| 301 | A | 35.6 | Very low | 42.3 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | | -171.2 | 81.7 | 125.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 302 | A | 42.8 | Very low | 43 | Very low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | | 70.8 | 73.8 | 93.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 303 | K | 55.8 | Low | 43.9 | Very low | 202 Ų | 202 | 149.4 Ų | 149.4 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | | | trans | -130.7 | 136.3 | 142.4 | -70.3 | -169 | 178.9 | -178.6 | 0 | 107.8 | | |
| 304 | N | 49.8 | Very low | 44.2 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | | | trans | -81.7 | 151.7 | -160.7 | -73.3 | -43 | 0 | 0 | 0 | 114 | | |
| 305 | V | 39.1 | Very low | 44.7 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 70% | 0.703 | 80% | 0.799 | S | S | * | * | | | trans | -94.4 | 135.8 | 179.4 | 162.2 | 0 | 0 | 0 | 0 | 109.9 | V307 | V305-V307 HydrophobicContact CG1-CB 3.54Å; V305-V307 HydrophobicContact CG1-CG2 3.34Å |
| 306 | L | 40.6 | Very low | 45 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | trans | -102.5 | 101.9 | 152.4 | -176.5 | 64.9 | 0 | 0 | 0 | 107.8 | | |
| 307 | V | 45.2 | Very low | 46.1 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 68% | 0.679 | 80% | 0.796 | S | S | * | * | | | trans | -109.6 | 115 | 174.9 | 144.7 | 0 | 0 | 0 | 0 | 108.9 | V305 | V305-V307 HydrophobicContact CG1-CB 3.54Å; V305-V307 HydrophobicContact CG1-CG2 3.34Å |
| 308 | M | 41.1 | Very low | 46.8 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | | | trans | -145.9 | 137.2 | 142 | -66.5 | -159.2 | 80.3 | 0 | 0 | 107.5 | | |
| 309 | S | 46.7 | Very low | 47.2 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | cis | -159.1 | 151 | -20.1 | 49.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 310 | S | 45.8 | Very low | 47.8 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -65.3 | 147.4 | 173.7 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 311 | K | 41.5 | Very low | 47.6 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | | | | -166.7 | 145.5 | 125 | -83.2 | -123.7 | 169.4 | 56 | 0 | 111.1 | | |
| 312 | A | 51.4 | Low | 48.2 | Very low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -87.1 | 132 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 313 | K | 52.2 | Low | 48.7 | Very low | 201 Ų | 201 | 149.8 Ų | 149.8 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -148.6 | 137.8 | 145.4 | -116.8 | 84.4 | 166.6 | -173.9 | 0 | 104.5 | | |
| 314 | G | 46.4 | Very low | 48.3 | Very low | 64 Ų | 64 | 151.2 Ų | 151.2 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | | | cis | 89.1 | 100.2 | 12.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 315 | K | 52 | Low | 48.2 | Very low | 195 Ų | 195 | 154.7 Ų | 154.7 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | 70.1 | 74.7 | 169.7 | -159.6 | 164.9 | -179.3 | 175.5 | 0 | 115.8 | | |
| 316 | D | 51.6 | Low | 48.4 | Very low | 136 Ų | 136 | 156.9 Ų | 156.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | | -98.9 | 99.5 | 129.8 | -171.4 | 8.6 | 0 | 0 | 0 | 109 | | |
| 317 | R | 61.3 | Low | 48.3 | Very low | 202 Ų | 202 | 156.2 Ų | 156.2 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -140.5 | 114.4 | 161 | -82 | -173.7 | 65.9 | 113.7 | -1.3 | 105.2 | | |
| 318 | L | 52.7 | Low | 48.5 | Very low | 157 Ų | 157 | 156.6 Ų | 156.6 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | 64.1 | 80.4 | -179.5 | -53.4 | 112.1 | 0 | 0 | 0 | 114.6 | | |
| 319 | T | 51.8 | Low | 48.7 | Very low | 110 Ų | 110 | 156.3 Ų | 156.3 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | | | | -99.3 | 126.9 | 120.6 | 56.6 | 0 | 0 | 0 | 0 | 108.4 | R321 | T319-R321 PolarHBondContact O-N 3.01Š|
| 320 | G | 53.3 | Low | 48.3 | Very low | 86 Ų | 86 | 158 Ų | 158 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | trans | -76 | 42.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | A322 | G320-A322 PolarHBondContact O-N 3.27Å; G320-A322 VanDerWaalsContact O-N 3.13Å |
| 321 | R | 42.9 | Very low | 48.7 | Very low | 229 Ų | 229 | 156.6 Ų | 156.6 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -76.3 | 104 | 180 | -159.1 | 173.1 | -162.6 | 173.4 | 4.6 | 107.9 | T319 R323 | T319-R321 PolarHBondContact O-N 3.01Å; R321-R323 PolarHBondContact O-N 3.4Å |
| 322 | A | 49.2 | Very low | 49.2 | Very low | 86 Ų | 86 | 156.6 Ų | 156.6 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | -48.3 | 125.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G320 R324 | G320-A322 PolarHBondContact O-N 3.27Å; G320-A322 VanDerWaalsContact O-N 3.13Å; A322-R324 PolarHBondContact O-N 3.13Å |
| 323 | R | 53.1 | Low | 48.7 | Very low | 238 Ų | 238 | 158 Ų | 158 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | | | trans | -62.1 | 110.1 | 162.2 | -71 | 179.4 | 179.9 | -95.9 | -2.1 | 105.6 | R321 W325 | R321-R323 PolarHBondContact O-N 3.4Å; R323-W325 PolarHBondContact O-N 2.86Å |
| 324 | R | 46.3 | Very low | 48.5 | Very low | 232 Ų | 232 | 152.9 Ų | 152.9 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 128.8 | 161.2 | -67.9 | -179.6 | 174.9 | -84 | 0.1 | 105.7 | A322 Q326 | A322-R324 PolarHBondContact O-N 3.13Å; R324-Q326 PolarHBondContact O-N 3.33Å |
| 325 | W | 47.2 | Very low | 48.5 | Very low | 243 Ų | 243 | 157.4 Ų | 157.4 | 92% | 0.92 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 129.4 | 162.2 | -70.4 | 85.8 | 0 | 0 | 0 | 106.5 | R323 | R323-W325 PolarHBondContact O-N 2.86Š|
| 326 | Q | 43.3 | Very low | 48.1 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 139.6 | 160.1 | -72 | 179.7 | -99.8 | 0 | 0 | 106.3 | R324 N328 | R324-Q326 PolarHBondContact O-N 3.33Å; Q326-N328 VanDerWaalsContact C-N 3.34Å; Q326-N328 PolarHBondContact O-N 2.89Å |
| 327 | D | 40.2 | Very low | 48 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -69.6 | 98.9 | 162.2 | -53.2 | -65.9 | 0 | 0 | 0 | 106.6 | D329 | D327-D329 VanDerWaalsContact C-N 3.32Å; D327-D329 PolarHBondContact O-N 2.89Å |
| 328 | N | 47.8 | Very low | 47.4 | Very low | 121 Ų | 121 | 143 Ų | 143 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | | | trans | -80.9 | 87.3 | 168 | -76.6 | 17.5 | 0 | 0 | 0 | 107.1 | Q326 D330 | Q326-N328 VanDerWaalsContact C-N 3.34Å; Q326-N328 PolarHBondContact O-N 2.89Å; N328-D330 PolarHBondContact O-N 3.34Å |
| 329 | D | 46.2 | Very low | 47.5 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | | | trans | -83.2 | 59 | 175.1 | -149.1 | -3.9 | 0 | 0 | 0 | 109.4 | D327 | D327-D329 VanDerWaalsContact C-N 3.32Å; D327-D329 PolarHBondContact O-N 2.89Å |
| 330 | D | 38.7 | Very low | 48.2 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | trans | -112.3 | 125.6 | 178.3 | -63.3 | -64.6 | 0 | 0 | 0 | 108.2 | N328 | N328-D330 PolarHBondContact O-N 3.34Š|
| 331 | G | 52.8 | Low | 48.9 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | | | trans | -80.1 | -166.9 | -168 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 332 | E | 53.3 | Low | 50.4 | Low | 201 Ų | 201 | 135 Ų | 135 | 94% | 0.939 | 70% | 0.699 | S | S | * | * | | | trans | 74.2 | 49.8 | 167.9 | -55.3 | -177.4 | -155.2 | 0 | 0 | 117.4 | | |
| 333 | N | 39.9 | Very low | 51.6 | Low | 125 Ų | 125 | 137.4 Ų | 137.4 | 67% | 0.668 | 70% | 0.695 | S | S | * | * | | | trans | -145.9 | 46.7 | 156.2 | -156.2 | 101.4 | 0 | 0 | 0 | 114 | T336 | N333-T336 PolarHBondContact ND2-OG1 3.3Š|
| 334 | T | 47.8 | Very low | 52.7 | Low | 93 Ų | 93 | 131.2 Ų | 131.2 | 57% | 0.571 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -89.8 | -43.5 | 169 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | T336 A337 D338 | T334-T336 PolarHBondContact O-N 3.5Å; T334-A337 WeakPolarHBondContact O-CA 3.44Å; T334-A337 WeakPolarHBondContact O-CB 3.19Å; T334-A337 PolarHBondContact O-N 3.46Å; T334-D338 VanDerWaalsContact CB-OD2 3.29Å; T334-D338 WeakPolarHBondContact CB-OD2 3.31Å; T334-D338 VanDerWaalsContact O-CG 3.23Å; T334-D338 PolarHBondContact O-N 2.92Å; T334-D338 PolarHBondContact OG1-OD2 3.46Å |
| 335 | Q | 48 | Very low | 54.4 | Low | 158 Ų | 158 | 124.4 Ų | 124.4 | 74% | 0.738 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -51.9 | -33.6 | -168.8 | -70.2 | -176.7 | -23 | 0 | 0 | 115.4 | D338 T339 | Q335-D338 WeakPolarHBondContact CA-OD2 3.44Å; Q335-D338 PolarHBondContact N-OD2 3.04Å; Q335-T339 WeakPolarHBondContact O-CG2 3.5Å; Q335-T339 PolarHBondContact O-N 2.89Å; Q335-T339 PolarHBondContact O-OG1 2.63Å |
| 336 | T | 42.3 | Very low | 55.8 | Low | 90 Ų | 90 | 120 Ų | 120 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -78.6 | -18.3 | 178.3 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | N333 T334 T339 | N333-T336 PolarHBondContact ND2-OG1 3.3Å; T334-T336 PolarHBondContact O-N 3.5Å; T336-T339 PolarHBondContact O-OG1 2.72Å |
| 337 | A | 49.8 | Very low | 57.4 | Low | 60 Ų | 60 | 118 Ų | 118 | 50% | 0.496 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -88.1 | -38.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T334 T339 T340 L341 | T334-A337 WeakPolarHBondContact O-CA 3.44Å; T334-A337 WeakPolarHBondContact O-CB 3.19Å; T334-A337 PolarHBondContact O-N 3.46Å; A337-T339 PolarHBondContact O-N 2.81Å; A337-T340 PolarHBondContact O-N 2.66Å; A337-L341 PolarHBondContact O-N 3.03Å; A337-L341 VanDerWaalsContact O-N 3.16Å |
| 338 | D | 48 | Very low | 59.1 | Low | 82 Ų | 82 | 114 Ų | 114 | 44% | 0.439 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.9 | -46.5 | 177.8 | -53.7 | -31.3 | 0 | 0 | 0 | 110.6 | T334 Q335 T340 L341 E342 | T334-D338 VanDerWaalsContact CB-OD2 3.29Å; T334-D338 WeakPolarHBondContact CB-OD2 3.31Å; T334-D338 VanDerWaalsContact O-CG 3.23Å; T334-D338 PolarHBondContact O-N 2.92Å; T334-D338 PolarHBondContact OG1-OD2 3.46Å; Q335-D338 WeakPolarHBondContact CA-OD2 3.44Å; Q335-D338 PolarHBondContact N-OD2 3.04Å; D338-T340 VanDerWaalsContact C-N 3.33Å; D338-T340 PolarHBondContact O-N 3.39Å; D338-L341 PolarHBondContact O-N 2.97Å; D338-L341 VanDerWaalsContact O-N 3.11Å; D338-E342 PolarHBondContact O-N 3.33Å |
| 339 | T | 55.1 | Low | 60.3 | Low | 89 Ų | 89 | 114.1 Ų | 114.1 | 55% | 0.546 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60 | -35.7 | 178.3 | 48.6 | 0 | 0 | 0 | 0 | 114.6 | Q335 T336 A337 E343 | Q335-T339 WeakPolarHBondContact O-CG2 3.5Å; Q335-T339 PolarHBondContact O-N 2.89Å; Q335-T339 PolarHBondContact O-OG1 2.63Å; T336-T339 PolarHBondContact O-OG1 2.72Å; A337-T339 PolarHBondContact O-N 2.81Å; T339-E343 WeakPolarHBondContact O-CB 3.36Å; T339-E343 PolarHBondContact O-N 3.09Å |
| 340 | T | 66.8 | Low | 61.6 | Low | 88 Ų | 88 | 109.3 Ų | 109.3 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -80.4 | -20.9 | 179.2 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | A337 D338 F344 | A337-T340 PolarHBondContact O-N 2.66Å; D338-T340 VanDerWaalsContact C-N 3.33Å; D338-T340 PolarHBondContact O-N 3.39Å; T340-F344 WeakPolarHBondContact O-CB 3.46Å; T340-F344 PolarHBondContact O-N 2.96Å |
| 341 | L | 67.8 | Low | 62.5 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 55% | 0.55 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -78.8 | -38 | 169.7 | -174.8 | 60 | 0 | 0 | 0 | 111.3 | A337 D338 F344 L345 | A337-L341 PolarHBondContact O-N 3.03Å; A337-L341 VanDerWaalsContact O-N 3.16Å; D338-L341 PolarHBondContact O-N 2.97Å; D338-L341 VanDerWaalsContact O-N 3.11Å; L341-F344 PolarHBondContact O-N 3.21Å; L341-L345 HydrophobicContact CG-CD1 4.18Å; L341-L345 VanDerWaalsContact O-CG 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.34Å; L341-L345 PolarHBondContact O-N 2.93Å |
| 342 | E | 73.9 | Confident | 62.6 | Low | 132 Ų | 132 | 108.6 Ų | 108.6 | 62% | 0.617 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.5 | -49.3 | 174.3 | -153.8 | 77.1 | -175.8 | 0 | 0 | 111.1 | D338 F344 L345 E346 | D338-E342 PolarHBondContact O-N 3.33Å; E342-F344 VanDerWaalsContact C-N 3.28Å; E342-F344 PolarHBondContact O-N 3.34Å; E342-L345 PolarHBondContact O-N 3.49Å; E342-E346 PolarHBondContact O-N 3.39Å |
| 343 | E | 75.2 | Confident | 62.7 | Low | 135 Ų | 135 | 105.3 Ų | 105.3 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -57.6 | -38.3 | 176.6 | -174.7 | 176.2 | -159.5 | 0 | 0 | 112.2 | T339 E347 | T339-E343 WeakPolarHBondContact O-CB 3.36Å; T339-E343 PolarHBondContact O-N 3.09Å; E343-E347 PolarHBondContact O-N 2.82Å; E343-E347 VanDerWaalsContact O-N 3.14Å |
| 344 | F | 76.4 | Confident | 63.5 | Low | 109 Ų | 109 | 103 Ų | 103 | 48% | 0.478 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74.6 | -29.9 | 176.1 | 180 | -105.5 | 0 | 0 | 0 | 113.4 | T340 L341 E342 L348 | T340-F344 WeakPolarHBondContact O-CB 3.46Å; T340-F344 PolarHBondContact O-N 2.96Å; L341-F344 PolarHBondContact O-N 3.21Å; E342-F344 VanDerWaalsContact C-N 3.28Å; E342-F344 PolarHBondContact O-N 3.34Å; F344-L348 HydrophobicContact CD1-CD1 4.49Å; F344-L348 HydrophobicContact CE1-CD1 3.81Å; F344-L348 HydrophobicContact CE1-CG 4.44Å; F344-L348 HydrophobicContact CZ-CD1 3.88Å; F344-L348 HydrophobicContact CZ-CG 4.29Å; F344-L348 WeakPolarHBondContact O-CG 3.47Å; F344-L348 PolarHBondContact O-N 2.94Å |
| 345 | L | 81.2 | Confident | 63.4 | Low | 89 Ų | 89 | 103.9 Ų | 103.9 | 47% | 0.466 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.5 | -42.3 | 173.7 | -74.7 | 163.3 | 0 | 0 | 0 | 110.9 | L341 E342 E347 L348 D349 | L341-L345 HydrophobicContact CG-CD1 4.18Å; L341-L345 VanDerWaalsContact O-CG 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.34Å; L341-L345 PolarHBondContact O-N 2.93Å; E342-L345 PolarHBondContact O-N 3.49Å; L345-E347 VanDerWaalsContact C-N 3.32Å; L345-E347 PolarHBondContact O-N 3.25Å; L345-L348 PolarHBondContact O-N 2.98Å; L345-L348 VanDerWaalsContact O-N 3.14Å; L345-D349 PolarHBondContact O-N 2.93Å |
| 346 | E | 77.1 | Confident | 63.4 | Low | 151 Ų | 151 | 103.4 Ų | 103.4 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.7 | -34.4 | 176.9 | -163.1 | 168 | -141.3 | 0 | 0 | 112 | E342 A350 | E342-E346 PolarHBondContact O-N 3.39Å; E346-A350 WeakPolarHBondContact O-CB 3.44Å; E346-A350 PolarHBondContact O-N 3.21Å; E346-A350 VanDerWaalsContact O-N 3.16Å |
| 347 | E | 76.9 | Confident | 63.5 | Low | 120 Ų | 120 | 102.7 Ų | 102.7 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64 | -37.3 | 171.3 | -172.7 | 175.1 | -151.8 | 0 | 0 | 112.8 | E343 L345 L351 | E343-E347 PolarHBondContact O-N 2.82Å; E343-E347 VanDerWaalsContact O-N 3.14Å; L345-E347 VanDerWaalsContact C-N 3.32Å; L345-E347 PolarHBondContact O-N 3.25Å; E347-L351 HydrophobicContact CG-CD1 4.42Å; E347-L351 WeakPolarHBondContact O-CG 3.41Å; E347-L351 PolarHBondContact O-N 3.17Å |
| 348 | L | 75.1 | Confident | 63 | Low | 73 Ų | 73 | 106.7 Ų | 106.7 | 38% | 0.382 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -78 | -34.3 | 179.8 | -67.6 | -171.1 | 0 | 0 | 0 | 113.7 | F344 L345 L351 T352 | F344-L348 HydrophobicContact CD1-CD1 4.49Å; F344-L348 HydrophobicContact CE1-CD1 3.81Å; F344-L348 HydrophobicContact CE1-CG 4.44Å; F344-L348 HydrophobicContact CZ-CD1 3.88Å; F344-L348 HydrophobicContact CZ-CG 4.29Å; F344-L348 WeakPolarHBondContact O-CG 3.47Å; F344-L348 PolarHBondContact O-N 2.94Å; L345-L348 PolarHBondContact O-N 2.98Å; L345-L348 VanDerWaalsContact O-N 3.14Å; L348-L351 HydrophobicContact CD2-CD1 4.17Å; L348-L351 PolarHBondContact O-N 3.38Å; L348-T352 PolarHBondContact O-N 3.3Å; L348-T352 VanDerWaalsContact O-N 3.09Å; L348-T352 PolarHBondContact O-OG1 2.98Å |
| 349 | D | 75.1 | Confident | 62.9 | Low | 124 Ų | 124 | 110.2 Ų | 110.2 | 66% | 0.663 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.4 | -43.1 | 172.4 | -89.3 | 7.7 | 0 | 0 | 0 | 110.3 | L345 L351 T352 D353 | L345-D349 PolarHBondContact O-N 2.93Å; D349-L351 VanDerWaalsContact C-N 3.3Å; D349-L351 PolarHBondContact O-N 3.5Å; D349-T352 WeakPolarHBondContact O-CA 3.36Å; D349-T352 WeakPolarHBondContact O-CB 3.32Å; D349-T352 PolarHBondContact O-N 2.96Å; D349-D353 PolarHBondContact O-N 3.42Å |
| 350 | A | 73 | Confident | 62.3 | Low | 65 Ų | 65 | 114.9 Ų | 114.9 | 54% | 0.537 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.9 | -35.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E346 T352 A354 | E346-A350 WeakPolarHBondContact O-CB 3.44Å; E346-A350 PolarHBondContact O-N 3.21Å; E346-A350 VanDerWaalsContact O-N 3.16Å; A350-T352 VanDerWaalsContact C-N 3.32Å; A350-A354 WeakPolarHBondContact O-CB 3.49Å; A350-A354 PolarHBondContact O-N 3.32Å |
| 351 | L | 56.9 | Low | 61 | Low | 110 Ų | 110 | 118 Ų | 118 | 58% | 0.576 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.2 | -24.6 | 172.6 | -83.4 | 163.6 | 0 | 0 | 0 | 113.4 | E347 L348 D349 | E347-L351 HydrophobicContact CG-CD1 4.42Å; E347-L351 WeakPolarHBondContact O-CG 3.41Å; E347-L351 PolarHBondContact O-N 3.17Å; L348-L351 HydrophobicContact CD2-CD1 4.17Å; L348-L351 PolarHBondContact O-N 3.38Å; D349-L351 VanDerWaalsContact C-N 3.3Å; D349-L351 PolarHBondContact O-N 3.5Å |
| 352 | T | 56 | Low | 59.6 | Low | 81 Ų | 81 | 122.3 Ų | 122.3 | 50% | 0.497 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -82.4 | -45.3 | 179.6 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | L348 D349 A350 A354 N355 E356 | L348-T352 PolarHBondContact O-N 3.3Å; L348-T352 VanDerWaalsContact O-N 3.09Å; L348-T352 PolarHBondContact O-OG1 2.98Å; D349-T352 WeakPolarHBondContact O-CA 3.36Å; D349-T352 WeakPolarHBondContact O-CB 3.32Å; D349-T352 PolarHBondContact O-N 2.96Å; A350-T352 VanDerWaalsContact C-N 3.32Å; T352-A354 VanDerWaalsContact C-N 3.28Å; T352-A354 PolarHBondContact O-N 2.84Å; T352-N355 WeakPolarHBondContact O-CB 3.05Å; T352-N355 PolarHBondContact O-N 3.35Å; T352-E356 PolarHBondContact O-N 3.44Å |
| 353 | D | 53.9 | Low | 57.8 | Low | 133 Ų | 133 | 123.4 Ų | 123.4 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -60.9 | -37.4 | 178.3 | -141.7 | 14.2 | 0 | 0 | 0 | 111.4 | D349 N355 | D349-D353 PolarHBondContact O-N 3.42Å; D353-N355 PolarHBondContact O-N 3.14Å |
| 354 | A | 56.2 | Low | 55.9 | Low | 77 Ų | 77 | 122.6 Ų | 122.6 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -64.7 | -18.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A350 T352 | A350-A354 WeakPolarHBondContact O-CB 3.49Å; A350-A354 PolarHBondContact O-N 3.32Å; T352-A354 VanDerWaalsContact C-N 3.28Å; T352-A354 PolarHBondContact O-N 2.84Å |
| 355 | N | 45.8 | Very low | 53.8 | Low | 110 Ų | 110 | 127.5 Ų | 127.5 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -95.2 | -28.5 | -176.9 | -176.7 | 68.9 | 0 | 0 | 0 | 113.3 | T352 D353 G357 | T352-N355 WeakPolarHBondContact O-CB 3.05Å; T352-N355 PolarHBondContact O-N 3.35Å; D353-N355 PolarHBondContact O-N 3.14Å; N355-G357 VanDerWaalsContact C-N 3.29Å; N355-G357 PolarHBondContact O-N 3.25Å |
| 356 | E | 48.4 | Very low | 51.5 | Low | 149 Ų | 149 | 127.8 Ų | 127.8 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -69.7 | -26.8 | 177.8 | -61.9 | -145 | 150.8 | 0 | 0 | 112.9 | T352 N358 | T352-E356 PolarHBondContact O-N 3.44Å; E356-N358 PolarHBondContact O-N 3.08Å; E356-N358 VanDerWaalsContact O-N 3.14Å |
| 357 | G | 45.8 | Very low | 49.6 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | N355 | N355-G357 VanDerWaalsContact C-N 3.29Å; N355-G357 PolarHBondContact O-N 3.25Å |
| 358 | N | 39.2 | Very low | 47.7 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 16.8 | -169.4 | -159.7 | 17.1 | 0 | 0 | 0 | 114.9 | E356 | E356-N358 PolarHBondContact O-N 3.08Å; E356-N358 VanDerWaalsContact O-N 3.14Å |
| 359 | L | 44.6 | Very low | 45.5 | Very low | 155 Ų | 155 | 131 Ų | 131 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -125 | 17.3 | -176.9 | -88.7 | 165.3 | 0 | 0 | 0 | 114.5 | | |
| 360 | K | 42 | Very low | 44.2 | Very low | 188 Ų | 188 | 130 Ų | 130 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -149.8 | 68.3 | -171.4 | -156.6 | 166.8 | -171.6 | 171.9 | 0 | 114.5 | | |
| 361 | D | 40.2 | Very low | 42.1 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | | | trans | -176.1 | 75.5 | 150.3 | -98.9 | -14.8 | 0 | 0 | 0 | 111.9 | | |
| 362 | Q | 39.7 | Very low | 40.8 | Very low | 196 Ų | 196 | 135 Ų | 135 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | | | trans | -151.3 | 61.7 | 163.3 | -76.1 | -50.7 | -45.4 | 0 | 0 | 112 | | |
| 363 | D | 34.9 | Very low | 39.6 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | | | trans | -146.4 | 81.3 | 159.4 | -167.1 | 5.1 | 0 | 0 | 0 | 111.7 | | |
| 364 | S | 36.1 | Very low | 39 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | 174.8 | 104.2 | 149.8 | 37.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 365 | K | 32.7 | Very low | 37.8 | Very low | 213 Ų | 213 | 140.5 Ų | 140.5 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | | | trans | -151 | 130.2 | 152.2 | -154.1 | 160.7 | -172.7 | 171.3 | 0 | 112.6 | | |
| 366 | A | 32.4 | Very low | 37 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | -89.5 | 170.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 367 | K | 35.9 | Very low | 36.4 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | | | trans | -27.3 | 154 | 176 | -70.5 | -170.2 | 163.6 | -159.3 | 0 | 117.6 | D369 | K367-D369 WeakPolarHBondContact CD-OD2 3.23Å; K367-D369 WeakPolarHBondContact CE-OD2 3.42Å; K367-D369 IonicContact NZ-OD2 2.77Å; K367-D369 PolarHBondContact NZ-OD2 3.06Å |
| 368 | P | 37.9 | Very low | 35.6 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | | -123.1 | 160.2 | 104 | 36.7 | -34.6 | 0 | 0 | 0 | 115.1 | | |
| 369 | D | 28.5 | Very low | 35.3 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | | | trans | -120 | 171.5 | 167.2 | -90.4 | -56.1 | 0 | 0 | 0 | 107.4 | K367 | K367-D369 WeakPolarHBondContact CD-OD2 3.23Å; K367-D369 WeakPolarHBondContact CE-OD2 3.42Å; K367-D369 IonicContact NZ-OD2 2.77Å; K367-D369 PolarHBondContact NZ-OD2 3.06Å |
| 370 | P | 48.8 | Very low | 34.8 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | | | cis | -133.5 | -160.6 | -10.7 | 23.6 | 2.3 | 0 | 0 | 0 | 112.8 | | |
| 371 | L | 28.2 | Very low | 34.5 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | | | trans | 85.4 | 103.9 | 155.8 | -50.5 | -179.5 | 0 | 0 | 0 | 118.9 | | |
| 372 | S | 30.3 | Very low | 34.2 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | | -166.9 | 135.1 | 111.2 | -78.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 373 | A | 30 | Very low | 34 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -128.2 | 158.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 374 | P | 41.4 | Very low | 33.9 | Very low | 132 Ų | 132 | 140 Ų | 140 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | | -135.9 | 169.1 | 82.8 | 37.6 | -25 | 0 | 0 | 0 | 114.4 | | |
| 375 | E | 30 | Very low | 33.7 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | -95.7 | 167.9 | 169.9 | -53.3 | -176.2 | 140.9 | 0 | 0 | 110.4 | | |
| 376 | D | 31 | Very low | 33.7 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | trans | -152.4 | 121.4 | 146.3 | -133.5 | -37 | 0 | 0 | 0 | 112.7 | | |
| 377 | S | 35 | Very low | 33.8 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | 40.5 | 132.5 | 148.1 | -52 | 0 | 0 | 0 | 0 | 120.7 | | |
| 378 | D | 29.6 | Very low | 33.6 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | | -169.5 | 155.9 | 58.3 | -168.2 | 26.7 | 0 | 0 | 0 | 116.3 | | |
| 379 | S | 31.6 | Very low | 33.4 | Very low | 78 Ų | 78 | 146.7 Ų | 146.7 | 55% | 0.545 | 78% | 0.779 | S | S | . | * | | | trans | 49.6 | 110.3 | 150.1 | -152 | 0 | 0 | 0 | 0 | 125.8 | | |
| 380 | L | 34 | Very low | 33.7 | Very low | 152 Ų | 152 | 146 Ų | 146 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | | | | 55.2 | 119.5 | 129.5 | -60.8 | 177 | 0 | 0 | 0 | 123.5 | | |
| 381 | K | 37.1 | Very low | 32.9 | Very low | 208 Ų | 208 | 145.5 Ų | 145.5 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | | | | -176.6 | 163.3 | 104 | -100.5 | 168.7 | -174.1 | 173 | 0 | 114.4 | | |
| 382 | E | 33.3 | Very low | 33.2 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | -111.1 | 157.4 | -168.6 | -57.7 | 170.4 | 98.8 | 0 | 0 | 115.5 | | |
| 383 | D | 35.7 | Very low | 33.6 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 65% | 0.652 | 79% | 0.787 | S | S | * | * | | | | 118.9 | 141.4 | 124.9 | -149.6 | 19.4 | 0 | 0 | 0 | 120.9 | | |
| 384 | K | 33.2 | Very low | 34.2 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | | | trans | 71.6 | 106.9 | 159.1 | -88.9 | 158.9 | -164.3 | 131 | 0 | 124.9 | | |
| 385 | V | 31.4 | Very low | 34.3 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | | | | 61.3 | 115.5 | 112.9 | 171.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 386 | T | 33.1 | Very low | 34.8 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | | -162 | 148.6 | 72.1 | -49.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 387 | Q | 34 | Very low | 35 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | -85.9 | 148.5 | 170.6 | -65.3 | -176.4 | -8.5 | 0 | 0 | 113 | | |
| 388 | R | 31.3 | Very low | 35.3 | Very low | 227 Ų | 227 | 147.3 Ų | 147.3 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | | 174.9 | 148.3 | 102.5 | -96.9 | 176.2 | 178.9 | -179.9 | 0.2 | 116.2 | | |
| 389 | K | 33.7 | Very low | 36 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | | | trans | 79.3 | 137.4 | 154.8 | -143.2 | 170.5 | -174.7 | -179.4 | 0 | 116.7 | | |
| 390 | A | 34.2 | Very low | 37.4 | Very low | 100 Ų | 100 | 154.7 Ų | 154.7 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | | | trans | -123 | 149.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 391 | A | 32.8 | Very low | 38.3 | Very low | 92 Ų | 92 | 155.6 Ų | 155.6 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | trans | -162.6 | 116.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 392 | T | 34.5 | Very low | 38.7 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | 51.6 | 107.6 | 134.9 | -45.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 393 | S | 39.3 | Very low | 39.2 | Very low | 109 Ų | 109 | 153.5 Ų | 153.5 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | 80.1 | 153.8 | 141.9 | 77.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 394 | P | 41.4 | Very low | 39.2 | Very low | 114 Ų | 114 | 157.5 Ų | 157.5 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 158.6 | -172.8 | 39.4 | -34.6 | 0 | 0 | 0 | 114.7 | | |
| 395 | P | 44.9 | Very low | 39.9 | Very low | 131 Ų | 131 | 155.2 Ų | 155.2 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 136.9 | 177 | 31.3 | -34.4 | 0 | 0 | 0 | 113.2 | | |
| 396 | R | 38.7 | Very low | 40.5 | Very low | 243 Ų | 243 | 158.5 Ų | 158.5 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 162.8 | 166.6 | -92.9 | 179.5 | 164.9 | 170.7 | -5.8 | 111.4 | | |
| 397 | G | 36.6 | Very low | 40.8 | Very low | 76 Ų | 76 | 160.7 Ų | 160.7 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 168.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 398 | L | 40.7 | Very low | 41.2 | Very low | 175 Ų | 175 | 160.8 Ų | 160.8 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -102 | 117.5 | -171.6 | -67 | 168.5 | 0 | 0 | 0 | 112.5 | | |
| 399 | E | 45.5 | Very low | 41.5 | Very low | 178 Ų | 178 | 158 Ų | 158 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | | | trans | -112.5 | 133.7 | 166.6 | -69.2 | -175.9 | 171.9 | 0 | 0 | 110.9 | | |
| 400 | K | 60.2 | Low | 41.7 | Very low | 209 Ų | 209 | 156.8 Ų | 156.8 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | | | trans | -93 | 104.5 | -174.7 | -66.4 | 178.7 | -178.1 | 175.4 | 0 | 111.1 | | |
| 401 | K | 53.4 | Low | 41.3 | Very low | 171 Ų | 171 | 163.7 Ų | 163.7 | 74% | 0.743 | 84% | 0.838 | S | S | * | * | | | trans | -100.8 | 99.8 | 174.5 | -58.1 | -176.2 | 75 | 159.7 | 0 | 110.5 | | |
| 402 | V | 43.8 | Very low | 41.3 | Very low | 129 Ų | 129 | 163.5 Ų | 163.5 | 78% | 0.782 | 84% | 0.837 | S | S | * | * | | | trans | -70.2 | 126.9 | 170 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 403 | R | 45.2 | Very low | 42 | Very low | 220 Ų | 220 | 163.1 Ų | 163.1 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | | | trans | -104.6 | 130.3 | 171.7 | -68.3 | -179.9 | 171.8 | 92.5 | -9.6 | 108.7 | | |
| 404 | F | 36 | Very low | 41.6 | Very low | 206 Ų | 206 | 162 Ų | 162 | 90% | 0.904 | 83% | 0.834 | S | S | * | * | | | trans | -87.5 | 139.8 | 154.8 | -92.9 | -94.1 | 0 | 0 | 0 | 108.5 | | |
| 405 | S | 46.3 | Very low | 41.4 | Very low | 115 Ų | 115 | 166 Ų | 166 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | | | trans | -91.7 | 131.5 | -176.6 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 406 | E | 44.3 | Very low | 41.2 | Very low | 190 Ų | 190 | 168.8 Ų | 168.8 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | | | trans | -78 | 176.4 | 162.5 | -164.1 | 168.8 | 168.8 | 0 | 0 | 110.3 | | |
| 407 | E | 41 | Very low | 40.7 | Very low | 177 Ų | 177 | 163.9 Ų | 163.9 | 83% | 0.827 | 84% | 0.838 | S | S | * | * | | | trans | 67.2 | 94.6 | 170.3 | -166.7 | 177.5 | -157.5 | 0 | 0 | 118.1 | | |
| 408 | L | 41.7 | Very low | 40.5 | Very low | 169 Ų | 169 | 165.8 Ų | 165.8 | 89% | 0.885 | 84% | 0.835 | S | S | * | * | | | trans | -161.8 | 74 | 140.9 | -161.5 | 70.4 | 0 | 0 | 0 | 114 | | |
| 409 | I | 36.8 | Very low | 40 | Very low | 170 Ų | 170 | 164.3 Ų | 164.3 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | | | trans | -137.1 | 94.5 | 163.8 | -52.6 | -179.9 | 0 | 0 | 0 | 111.2 | | |
| 410 | Q | 37.5 | Very low | 39.1 | Very low | 189 Ų | 189 | 161.3 Ų | 161.3 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | | | trans | -143.8 | 155.9 | 153.2 | -73 | -161 | 29.1 | 0 | 0 | 110.5 | | |
| 411 | R | 27.7 | Very low | 38 | Very low | 246 Ų | 246 | 158.3 Ų | 158.3 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | | | trans | 85.3 | 109 | 168.8 | -157.1 | 171.1 | -165.8 | 152.3 | 4.1 | 117.7 | | |
| 412 | A | 33 | Very low | 37 | Very low | 87 Ų | 87 | 159.7 Ų | 159.7 | 72% | 0.719 | 83% | 0.834 | S | S | * | * | | | trans | -78.7 | 169.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 413 | P | 47.6 | Very low | 36.5 | Very low | 122 Ų | 122 | 158.7 Ų | 158.7 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | | | | -148.2 | 153.1 | 104.8 | 38.6 | -23.6 | 0 | 0 | 0 | 117.7 | | |
| 414 | A | 31.3 | Very low | 35.8 | Very low | 85 Ų | 85 | 153.1 Ų | 153.1 | 70% | 0.702 | 83% | 0.834 | S | S | * | * | | | trans | 45.9 | 110.9 | 139.9 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 415 | K | 37.6 | Very low | 35.6 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | | | | 48 | 118.3 | 123.7 | -59.1 | 179.1 | -179.4 | -178.9 | 0 | 120.1 | | |
| 416 | Q | 40 | Very low | 35.9 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | | -155.7 | 134.2 | 117.7 | -112.8 | 168.7 | 62 | 0 | 0 | 111.2 | | |
| 417 | T | 29.1 | Very low | 35.3 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | | | trans | -143.7 | 129.5 | 174.4 | 36.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 418 | T | 32.6 | Very low | 35 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 71% | 0.712 | 82% | 0.819 | S | S | * | * | | | trans | -145.6 | 123 | -175.8 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 419 | T | 29.4 | Very low | 34.8 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | 62.3 | 151.9 | 162.9 | 59.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 420 | S | 27.3 | Very low | 34.5 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | cis | -135.6 | 166.6 | 3.9 | -159.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 421 | L | 37.1 | Very low | 34.3 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | | | trans | -93.3 | 155.9 | 175.5 | -67.4 | 165 | 0 | 0 | 0 | 111.1 | | |
| 422 | H | 32.1 | Very low | 34.7 | Very low | 199 Ų | 199 | 133 Ų | 133 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -150.5 | 143.8 | 135.9 | -107.2 | -76.4 | 0 | 0 | 0 | 110.5 | | |
| 423 | S | 33.3 | Very low | 34.7 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | | | trans | -110.3 | 149.7 | -167.6 | -48 | 0 | 0 | 0 | 0 | 112.8 | | |
| 424 | A | 30.2 | Very low | 33.9 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -169.7 | 144.3 | 134.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 425 | A | 32.8 | Very low | 33.9 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | trans | -118.2 | 174.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 426 | P | 51.3 | Low | 33.7 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | | -144.8 | 151.8 | 98.2 | 36.8 | -21.6 | 0 | 0 | 0 | 116.9 | | |
| 427 | E | 32.2 | Very low | 34.3 | Very low | 176 Ų | 176 | 129.4 Ų | 129.4 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | 9.5 | 137.5 | 151.4 | -47.7 | -165.7 | 118.7 | 0 | 0 | 122.1 | | |
| 428 | T | 34.6 | Very low | 34.5 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | | -168.1 | 135.6 | 101.3 | 18.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 429 | K | 37.5 | Very low | 34.5 | Very low | 207 Ų | 207 | 133.4 Ų | 133.4 | 90% | 0.9 | 79% | 0.788 | S | S | * | * | | | trans | 26.8 | 128.1 | 147.7 | -54 | 172.9 | -173.7 | 176.8 | 0 | 119.3 | | |
| 430 | G | 30 | Very low | 34.6 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | cis | 152.2 | 170.3 | -1.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 431 | S | 33.4 | Very low | 34.7 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | 59.4 | 143 | 163.8 | -64.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 432 | L | 35.6 | Very low | 34.5 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | | | cis | -168.6 | 141.5 | -7.4 | -104.4 | 170.2 | 0 | 0 | 0 | 109.5 | | |
| 433 | K | 33.6 | Very low | 34.4 | Very low | 191 Ų | 191 | 131.2 Ų | 131.2 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | | | trans | 62 | 158.8 | 148.2 | -70.9 | 172.6 | 176.5 | 176.6 | 0 | 120.2 | | |
| 434 | A | 31.5 | Very low | 34.2 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | | | cis | -171.2 | 177 | -23.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 435 | S | 31.5 | Very low | 35.3 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | 70.4 | 114.6 | 150.9 | 54.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 436 | S | 33 | Very low | 36.4 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | -80.8 | -155.2 | 147.7 | -39 | 0 | 0 | 0 | 0 | 109.8 | | |
| 437 | P | 51.8 | Low | 35.3 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | | | cis | -143.2 | -167.6 | -5.6 | 28.9 | -1.8 | 0 | 0 | 0 | 116.6 | | |
| 438 | K | 34.1 | Very low | 35.2 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | 85 | 157.7 | 159.3 | -50.6 | -166.6 | -178.3 | -175 | 0 | 117 | | |
| 439 | H | 32.5 | Very low | 34.7 | Very low | 159 Ų | 159 | 136 Ų | 136 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | cis | -143 | 176.1 | 16.8 | -145.8 | -86.4 | 0 | 0 | 0 | 114.6 | | |
| 440 | S | 31.2 | Very low | 34.2 | Very low | 86 Ų | 86 | 129.1 Ų | 129.1 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | | | trans | -19 | 147.9 | 172.8 | 52.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 441 | E | 29.8 | Very low | 34.4 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | cis | 105.7 | 114.8 | 24.4 | -171.6 | -175.2 | 160.5 | 0 | 0 | 115.1 | | |
| 442 | V | 32.4 | Very low | 34.3 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | | | trans | 85.1 | 141.8 | 147.4 | 163.3 | 0 | 0 | 0 | 0 | 124.4 | | |
| 443 | Q | 30.4 | Very low | 34.2 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | trans | 91.2 | 157.3 | 157.1 | -96.3 | 159.6 | 64.8 | 0 | 0 | 122.8 | | |
| 444 | R | 29.8 | Very low | 34.2 | Very low | 227 Ų | 227 | 129.5 Ų | 129.5 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | -171 | 169.4 | -154.5 | -166.1 | -143.2 | -87.5 | 178.4 | -7.5 | 108.1 | | |
| 445 | P | 51.7 | Low | 34.2 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | | | | -101.1 | -136 | -77.1 | 40.9 | -22.9 | 0 | 0 | 0 | 109.1 | | |
| 446 | P | 55.8 | Low | 34.2 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | cis | -129.7 | 180 | -29.6 | 32 | -11.6 | 0 | 0 | 0 | 114.7 | | |
| 447 | L | 30 | Very low | 34.1 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | | 148 | 151 | 128.6 | -79.1 | 177.3 | 0 | 0 | 0 | 116.4 | | |
| 448 | A | 29.5 | Very low | 33.2 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | 70.4 | 153.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 449 | C | 24.2 | Very low | 33.4 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 90% | 0.899 | 74% | 0.743 | S | S | * | * | | | cis | -158.3 | 172.3 | -2.8 | -136 | 0 | 0 | 0 | 0 | 114.1 | | |
| 450 | G | 26.9 | Very low | 33.5 | Very low | 62 Ų | 62 | 129 Ų | 129 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | | | trans | 118.4 | 108.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 451 | S | 34.2 | Very low | 33.4 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | | | | 71.1 | 136.7 | 58.4 | -56.1 | 0 | 0 | 0 | 0 | 113 | | |
| 452 | A | 31.4 | Very low | 33.8 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | | | cis | -164.1 | 171.1 | 7.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 453 | E | 33.2 | Very low | 33.7 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | | | cis | -165 | 175.7 | -32.3 | -75.5 | -24.1 | -29.4 | 0 | 0 | 106.9 | | |
| 454 | Q | 33.5 | Very low | 33.8 | Very low | 174 Ų | 174 | 123.7 Ų | 123.7 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | 71.9 | 152.9 | 167.2 | -56.1 | -157.5 | -90.8 | 0 | 0 | 120.8 | | |
| 455 | D | 30.7 | Very low | 33.7 | Very low | 124 Ų | 124 | 116.5 Ų | 116.5 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | | | cis | -168.9 | 151.4 | -31.5 | -95.3 | -21.4 | 0 | 0 | 0 | 111.2 | | |
| 456 | D | 31.9 | Very low | 33.1 | Very low | 145 Ų | 145 | 119.9 Ų | 119.9 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | trans | 48.3 | 158.5 | 152.9 | -105.1 | -88.6 | 0 | 0 | 0 | 122.7 | | |
| 457 | S | 30.1 | Very low | 32.6 | Very low | 100 Ų | 100 | 120.9 Ų | 120.9 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | cis | -146.3 | 141.4 | 3.5 | -64.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 458 | S | 34.4 | Very low | 32.8 | Very low | 104 Ų | 104 | 118 Ų | 118 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | 14.4 | 127.7 | 137.5 | -147.1 | 0 | 0 | 0 | 0 | 125.5 | | |
| 459 | S | 37.6 | Very low | 33.6 | Very low | 96 Ų | 96 | 119.3 Ų | 119.3 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | | | | 71.6 | 131.3 | 127.2 | -58.5 | 0 | 0 | 0 | 0 | 126.8 | | |
| 460 | Q | 33.9 | Very low | 34.8 | Very low | 176 Ų | 176 | 118.1 Ų | 118.1 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | 58 | 156.9 | 147.7 | -62.7 | -171.9 | -113.7 | 0 | 0 | 119.3 | | |
| 461 | D | 30.5 | Very low | 35.1 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 58% | 0.583 | 76% | 0.76 | S | S | * | * | | | cis | -151.5 | -137.4 | 20.5 | -159.3 | 28.8 | 0 | 0 | 0 | 114.3 | | |
| 462 | K | 38.2 | Very low | 35 | Very low | 171 Ų | 171 | 120.6 Ų | 120.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -65.2 | 164.8 | -165.9 | -42.5 | -59.7 | -179.4 | -99.4 | 0 | 116.5 | | |
| 463 | G | 30.1 | Very low | 34.9 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 81% | 0.814 | 76% | 0.755 | S | S | * | * | | | | 145.4 | 113.8 | 126.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 464 | G | 32.3 | Very low | 35 | Very low | 88 Ų | 88 | 123.2 Ų | 123.2 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | | | trans | -89.2 | 160.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 465 | G | 28.7 | Very low | 35 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | trans | 164.9 | 118 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 466 | L | 38.1 | Very low | 34.8 | Very low | 176 Ų | 176 | 122.3 Ų | 122.3 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | | | trans | -80.5 | 154.5 | 163.7 | -63.8 | 172.1 | 0 | 0 | 0 | 109.2 | | |
| 467 | P | 45.1 | Very low | 34.9 | Very low | 124 Ų | 124 | 120.7 Ų | 120.7 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | | -143.3 | -179.9 | 100 | 37.2 | -21.7 | 0 | 0 | 0 | 115.9 | | |
| 468 | S | 35.3 | Very low | 34.9 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | -58.5 | 176.6 | -176.5 | 54.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 469 | P | 44.5 | Very low | 34.7 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | | -142.2 | -162.5 | 99 | 49.3 | -34.6 | 0 | 0 | 0 | 111.7 | | |
| 470 | P | 50.2 | Low | 34.2 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | | -145.2 | -175.7 | -120.1 | 39.2 | -13.5 | 0 | 0 | 0 | 119.5 | | |
| 471 | V | 32.7 | Very low | 33.9 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | 82.9 | 146.1 | 143.7 | 150.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 472 | A | 31.7 | Very low | 33.7 | Very low | 86 Ų | 86 | 126.5 Ų | 126.5 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 83.3 | 142.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 473 | Q | 31.3 | Very low | 33.2 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | cis | -168.9 | 121 | -21 | 174.2 | 171 | -30.9 | 0 | 0 | 112 | | |
| 474 | Q | 34.2 | Very low | 33.3 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | trans | 60 | 166.1 | 154.5 | -65.8 | 164.3 | -3 | 0 | 0 | 118.1 | | |
| 475 | Q | 32.5 | Very low | 33 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | cis | -149.8 | -179 | -25.3 | -116.4 | 167.7 | -5.7 | 0 | 0 | 109.6 | | |
| 476 | A | 27.8 | Very low | 32.9 | Very low | 103 Ų | 103 | 133 Ų | 133 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | | | trans | -134.1 | 159 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 477 | S | 33 | Very low | 32.5 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | -154.4 | 136.4 | 156.9 | 44.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 478 | K | 30.6 | Very low | 31.8 | Very low | 194 Ų | 194 | 128.4 Ų | 128.4 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | | | cis | 62.9 | 133.8 | 46.8 | -75.3 | -162.2 | 169.8 | -171.5 | 0 | 112.5 | | |
| 479 | T | 29.6 | Very low | 32.2 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | | | cis | -163.6 | 178.8 | 8.8 | -1.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 480 | E | 27.9 | Very low | 31.2 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | | | cis | -159.6 | 138.7 | 4.6 | -170.1 | 122.3 | 179.5 | 0 | 0 | 113.2 | | |
| 481 | N | 26.8 | Very low | 30.3 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 36.2 | 178.2 | 142.5 | -59.7 | -27.5 | 0 | 0 | 0 | 125.7 | | |
| 482 | V | 27.5 | Very low | 30.1 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | | | trans | 82 | 99 | 159.9 | -177.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 483 | T | 26.8 | Very low | 29.9 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | | 56.7 | 142.6 | 74 | 69.7 | 0 | 0 | 0 | 0 | 115 | | |
| 484 | K | 32.7 | Very low | 29.9 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | | | cis | -168.3 | 155.4 | 6.9 | -123.8 | 170.8 | -176.5 | -179.7 | 0 | 107.1 | | |
| 485 | D | 26.8 | Very low | 29.6 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | trans | 179 | 171.7 | 140.4 | -98.4 | -24.4 | 0 | 0 | 0 | 113.4 | | |
| 486 | T | 26.1 | Very low | 29.4 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | | | | -166.1 | 105.6 | -61.4 | -81.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 487 | S | 28.8 | Very low | 29.5 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | trans | 72.4 | 152.4 | 149.5 | 85.6 | 0 | 0 | 0 | 0 | 124 | | |
| 488 | S | 31.4 | Very low | 29.2 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | 86.3 | 144.3 | 141.1 | -56 | 0 | 0 | 0 | 0 | 120.7 | | |
| 489 | P | 42.6 | Very low | 29.4 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | | | cis | -136.3 | 178.6 | -27.5 | 38.9 | -21.2 | 0 | 0 | 0 | 115.5 | | |
| 490 | E | 24.2 | Very low | 29.2 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -97.4 | 159 | 178 | -177.7 | -174 | 177.4 | 0 | 0 | 111.5 | | |
| 491 | V | 32 | Very low | 29.3 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | | 158.2 | 137.1 | 125 | -72.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 492 | S | 28.8 | Very low | 29.4 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | 49.4 | 151.2 | 131.4 | -62.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 493 | S | 26.6 | Very low | 29.5 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | cis | -175.5 | -172.4 | -15 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 494 | V | 30.7 | Very low | 30.6 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | 88.3 | 116.1 | 164.4 | -168.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 495 | T | 28.5 | Very low | 30.3 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 91% | 0.908 | 77% | 0.77 | S | S | * | * | | | trans | -141.1 | 142.5 | 153 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 496 | S | 29.3 | Very low | 30.5 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -137.5 | 148.6 | 168 | 54.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 497 | G | 27.9 | Very low | 30.7 | Very low | 66 Ų | 66 | 126.6 Ų | 126.6 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | cis | 85.3 | 121.9 | 49.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 498 | E | 28.2 | Very low | 31.9 | Very low | 171 Ų | 171 | 127.1 Ų | 127.1 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | cis | -148.5 | 153.1 | 10.3 | -63.2 | 179.9 | 76.9 | 0 | 0 | 111.1 | | |
| 499 | K | 33.5 | Very low | 31.8 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | | | | 34.3 | 129.6 | 108.1 | -46.5 | 175 | -177.1 | 169.5 | 0 | 115.3 | | |
| 500 | T | 26.8 | Very low | 31.5 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | | | | -170.8 | -178.1 | 71.9 | 38.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 501 | S | 29.5 | Very low | 33 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -68.6 | -179.1 | 177.9 | -49.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 502 | T | 28.9 | Very low | 32.8 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | | | cis | -163.9 | 172.6 | 28.5 | -30.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 503 | S | 30.3 | Very low | 33.2 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -84.2 | -175.2 | 168.1 | 71.8 | 0 | 0 | 0 | 0 | 112 | | |
| 504 | P | 49.6 | Very low | 33.5 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | | | cis | -152.4 | -175 | 44.3 | 44.2 | -22 | 0 | 0 | 0 | 119.4 | | |
| 505 | H | 26.7 | Very low | 33.5 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | | | trans | 134.5 | 154.4 | 135.9 | -145 | -86.3 | 0 | 0 | 0 | 118 | | |
| 506 | E | 29.5 | Very low | 34 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | trans | -103.5 | 151.8 | -163.2 | -35.6 | -176.7 | 84.8 | 0 | 0 | 114.8 | | |
| 507 | S | 30.8 | Very low | 33.9 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | | 79.9 | 178.9 | 91.8 | 85.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 508 | P | 54.9 | Low | 34.6 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -136.2 | -170 | -7.3 | 41.9 | -24.2 | 0 | 0 | 0 | 115 | | |
| 509 | V | 29.6 | Very low | 34.7 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | | -179.1 | 149.7 | 129.3 | 146.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 510 | Q | 34.4 | Very low | 34.9 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | -133.3 | -156.2 | -177.5 | -137.8 | -167.7 | 79.5 | 0 | 0 | 109.8 | | |
| 511 | P | 55.8 | Low | 35.1 | Very low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | cis | -140.6 | -148.6 | 22.7 | 39.2 | -13.3 | 0 | 0 | 0 | 115.3 | | |
| 512 | V | 29.7 | Very low | 35.4 | Very low | 112 Ų | 112 | 131 Ų | 131 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | | | trans | 81.2 | 96.2 | 167.8 | -163.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 513 | E | 36.2 | Very low | 35.9 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | | 80.6 | 143.3 | 58.6 | -67.9 | -165 | 139.7 | 0 | 0 | 114.5 | | |
| 514 | V | 33.6 | Very low | 36.4 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | | | cis | -157.7 | 155.4 | -5.2 | -105.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 515 | S | 30.4 | Very low | 36 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | | 151.6 | 151 | 130 | -71.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 516 | K | 39.5 | Very low | 37.3 | Very low | 195 Ų | 195 | 135.6 Ų | 135.6 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | | | trans | -148 | 128.5 | -176.9 | 177.1 | 179 | -179.3 | 176.3 | 0 | 110.7 | | |
| 517 | C | 26.1 | Very low | 38.3 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -145.3 | 134.8 | 168.2 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 518 | N | 43.3 | Very low | 39 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -92.8 | 138.9 | 164.6 | -69.5 | 8.1 | 0 | 0 | 0 | 108.1 | | |
| 519 | S | 30.2 | Very low | 38 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | | | trans | -157 | 139.2 | 162.8 | -78.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 520 | S | 37.9 | Very low | 38.8 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -141.6 | 108.2 | -176 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 521 | S | 30.7 | Very low | 39.4 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | -170.2 | 138.8 | 170.1 | 52.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 522 | T | 35.9 | Very low | 38.7 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | trans | 50.9 | 110.3 | 140.1 | 58.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 523 | N | 38.7 | Very low | 39.1 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | | -3.3 | 129.1 | 129.2 | -176.6 | -63.5 | 0 | 0 | 0 | 119.1 | | |
| 524 | T | 40.8 | Very low | 39.3 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | | | trans | -148.2 | 118.1 | 140 | 46.2 | 0 | 0 | 0 | 0 | 105.7 | | |
| 525 | E | 42.1 | Very low | 39.5 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | | | | 73.8 | 101.6 | 83.8 | -169.4 | -179 | 170.4 | 0 | 0 | 113.8 | | |
| 526 | E | 53.8 | Low | 40.2 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | | -147.2 | 139.7 | 128.4 | -79.7 | -147.7 | 131.2 | 0 | 0 | 108.3 | | |
| 527 | L | 49.2 | Very low | 40.3 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -122.5 | 113.2 | -175.2 | -79.4 | 165.2 | 0 | 0 | 0 | 110.2 | | |
| 528 | I | 45.4 | Very low | 40.9 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -137.7 | 125.6 | 161.4 | -55.8 | -177.3 | 0 | 0 | 0 | 111.1 | | |
| 529 | D | 35.6 | Very low | 41.2 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | | | trans | 53.9 | 101.5 | 159.8 | -62.1 | -7 | 0 | 0 | 0 | 122.4 | | |
| 530 | S | 45.8 | Very low | 42.2 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | trans | -73.9 | 115.1 | 152.7 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 531 | T | 46.1 | Very low | 42.1 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -117.1 | 70 | 158.3 | 44.4 | 0 | 0 | 0 | 0 | 110.7 | S533 | T531-S533 PolarHBondContact O-N 3.09Š|
| 532 | L | 41.1 | Very low | 42.7 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -65.8 | 83.8 | -176.3 | -170.1 | 102.6 | 0 | 0 | 0 | 112.7 | V534 | L532-V534 HydrophobicContact CD2-CG2 3.82Å; L532-V534 HydrophobicContact CG-CG2 4.08Å; L532-V534 PolarHBondContact O-N 3.23Å |
| 533 | S | 39.2 | Very low | 42.9 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -87.5 | 79.6 | 170.8 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | T531 L535 | T531-S533 PolarHBondContact O-N 3.09Å; S533-L535 PolarHBondContact O-N 2.85Å; S533-L535 VanDerWaalsContact O-N 3.09Å |
| 534 | V | 40.3 | Very low | 43.4 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 65% | 0.648 | 78% | 0.781 | S | S | * | * | | | trans | -64 | 106.7 | 163 | 176 | 0 | 0 | 0 | 0 | 108.1 | L532 R536 | L532-V534 HydrophobicContact CD2-CG2 3.82Å; L532-V534 HydrophobicContact CG-CG2 4.08Å; L532-V534 PolarHBondContact O-N 3.23Å; V534-R536 PolarHBondContact O-N 2.73Å |
| 535 | L | 37.6 | Very low | 43.3 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | -66.1 | 107.7 | 168.2 | -75.4 | 177.9 | 0 | 0 | 0 | 108.8 | S533 I537 | S533-L535 PolarHBondContact O-N 2.85Å; S533-L535 VanDerWaalsContact O-N 3.09Å; L535-I537 PolarHBondContact O-N 2.76Å |
| 536 | R | 44.2 | Very low | 43.1 | Very low | 206 Ų | 206 | 139.1 Ų | 139.1 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | -61.7 | 120.3 | 167.2 | -55.4 | 178.9 | -157 | 144.3 | 5.6 | 107.7 | V534 D538 | V534-R536 PolarHBondContact O-N 2.73Å; R536-D538 PolarHBondContact O-N 2.94Å; R536-D538 VanDerWaalsContact O-N 3.08Å |
| 537 | I | 42.8 | Very low | 42.4 | Very low | 165 Ų | 165 | 135 Ų | 135 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -82.1 | 76.5 | 161.3 | -53.4 | 175.7 | 0 | 0 | 0 | 105.7 | L535 | L535-I537 PolarHBondContact O-N 2.76Š|
| 538 | D | 39 | Very low | 42.3 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | trans | -62.7 | 140.7 | 170.6 | -93.1 | -51.5 | 0 | 0 | 0 | 109.1 | R536 | R536-D538 PolarHBondContact O-N 2.94Å; R536-D538 VanDerWaalsContact O-N 3.08Å |
| 539 | S | 48.7 | Very low | 42.1 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 88% | 0.881 | 77% | 0.765 | S | S | * | * | | | trans | -83.7 | 138.6 | -173.2 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 540 | G | 50.4 | Low | 43 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | | | trans | 132.2 | 55.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 541 | E | 37.4 | Very low | 43.3 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | -116.3 | 97.5 | 157.4 | -171.4 | 79.4 | -118.9 | 0 | 0 | 108.2 | H543 | E541-H543 PolarHBondContact O-N 3.27Š|
| 542 | S | 42.9 | Very low | 44 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | | | trans | -78.4 | 103.8 | -178.8 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 543 | H | 39.2 | Very low | 44.8 | Very low | 169 Ų | 169 | 125.9 Ų | 125.9 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | | | trans | -52.7 | 129.7 | 171 | -67.5 | -46.1 | 0 | 0 | 0 | 110.4 | E541 A545 | E541-H543 PolarHBondContact O-N 3.27Å; H543-A545 PolarHBondContact O-N 3.16Å |
| 544 | P | 49.7 | Very low | 46 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 60% | 0.597 | 73% | 0.728 | S | S | * | * | | | trans | -67.7 | 106.6 | -177.2 | 26.7 | -33.8 | 0 | 0 | 0 | 109.6 | H546 | P544-H546 PolarHBondContact O-N 3.37Š|
| 545 | A | 38.9 | Very low | 46.9 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | | | trans | -62.2 | 103.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | H543 S547 | H543-A545 PolarHBondContact O-N 3.16Å; A545-S547 PolarHBondContact O-N 2.95Å |
| 546 | H | 38.5 | Very low | 47.8 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | | | trans | -71.3 | 65.6 | 173.5 | -61.6 | -53 | 0 | 0 | 0 | 110.5 | P544 T548 | P544-H546 PolarHBondContact O-N 3.37Å; H546-T548 VanDerWaalsContact C-N 3.32Å; H546-T548 PolarHBondContact O-N 3.09Å |
| 547 | S | 38.2 | Very low | 48.8 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | | | trans | -64.7 | 94.9 | 167.4 | -174.8 | 0 | 0 | 0 | 0 | 107.7 | A545 S549 | A545-S547 PolarHBondContact O-N 2.95Å; S547-S549 PolarHBondContact O-N 3.03Å |
| 548 | T | 46.8 | Very low | 49.6 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | | | trans | -75.5 | 61.4 | 176.7 | 54.2 | 0 | 0 | 0 | 0 | 110.2 | H546 N550 | H546-T548 VanDerWaalsContact C-N 3.32Å; H546-T548 PolarHBondContact O-N 3.09Å; T548-N550 PolarHBondContact O-N 2.95Å |
| 549 | S | 42.7 | Very low | 50.8 | Low | 93 Ų | 93 | 122.8 Ų | 122.8 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | | | trans | -57.8 | 109 | 168.9 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | S547 D551 | S547-S549 PolarHBondContact O-N 3.03Å; S549-D551 PolarHBondContact O-N 2.96Å |
| 550 | N | 52.8 | Low | 50.9 | Low | 136 Ų | 136 | 125.3 Ų | 125.3 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | | | trans | -85.3 | 49.3 | 176.2 | -150.5 | -51.5 | 0 | 0 | 0 | 109.7 | T548 K552 | T548-N550 PolarHBondContact O-N 2.95Å; N550-K552 VanDerWaalsContact C-N 3.3Å; N550-K552 PolarHBondContact O-N 2.91Å |
| 551 | D | 52.4 | Low | 50.9 | Low | 134 Ų | 134 | 127.6 Ų | 127.6 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | | | trans | -75.2 | 86.7 | 176.6 | -174.3 | 25.7 | 0 | 0 | 0 | 109.5 | S549 A553 | S549-D551 PolarHBondContact O-N 2.96Å; D551-A553 VanDerWaalsContact C-N 3.31Å; D551-A553 PolarHBondContact O-N 3.43Å |
| 552 | K | 60.7 | Low | 51.6 | Low | 95 Ų | 95 | 125.2 Ų | 125.2 | 41% | 0.413 | 70% | 0.699 | S | S | . | * | | | trans | -75.9 | 87.9 | 172.3 | -86.4 | 170.5 | 149 | -72.8 | 0 | 109 | N550 R554 V559 V560 | N550-K552 VanDerWaalsContact C-N 3.3Å; N550-K552 PolarHBondContact O-N 2.91Å; K552-R554 PolarHBondContact O-N 2.99Å; K552-V559 HydrophobicContact CB-CG1 4.14Å; K552-V559 HydrophobicContact CB-CG2 4.28Å; K552-V559 HydrophobicContact CD-CG1 3.63Å; K552-V559 HydrophobicContact CG-CG1 4.22Å; K552-V560 PolarHBondContact NZ-O 2.64Å |
| 553 | A | 57.5 | Low | 52.1 | Low | 77 Ų | 77 | 126.1 Ų | 126.1 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | | | trans | -36.3 | 110.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D551 E555 | D551-A553 VanDerWaalsContact C-N 3.31Å; D551-A553 PolarHBondContact O-N 3.43Å; A553-E555 PolarHBondContact O-N 3.47Å |
| 554 | R | 65.1 | Low | 52.9 | Low | 179 Ų | 179 | 123.6 Ų | 123.6 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | | | trans | -101.7 | 59.5 | -163.4 | -163 | -172.8 | 175.1 | -160.5 | -7.4 | 112.4 | K552 H556 G557 K558 | K552-R554 PolarHBondContact O-N 2.99Å; R554-H556 PolarHBondContact O-N 3.04Å; R554-G557 PolarHBondContact NE-O 3.23Å; R554-G557 PolarHBondContact NH2-O 3Å; R554-G557 PolarHBondContact O-N 3.13Å; R554-K558 WeakPolarHBondContact CG-O 3.39Å |
| 555 | E | 58.9 | Low | 53.1 | Low | 155 Ų | 155 | 125.6 Ų | 125.6 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -63.2 | 133.6 | 175.1 | -159.1 | 176.9 | -168.9 | 0 | 0 | 110.6 | A553 G557 K558 | A553-E555 PolarHBondContact O-N 3.47Å; E555-G557 PolarHBondContact O-N 3.25Å; E555-K558 PolarHBondContact O-N 3.09Å |
| 556 | H | 56.1 | Low | 54 | Low | 181 Ų | 181 | 127.7 Ų | 127.7 | 84% | 0.838 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | 46.5 | 32.4 | -175.9 | -60.2 | -60 | 0 | 0 | 0 | 115.7 | R554 K558 | R554-H556 PolarHBondContact O-N 3.04Å; H556-K558 VanDerWaalsContact C-N 3.29Å; H556-K558 PolarHBondContact O-N 3.23Å |
| 557 | G | 65.9 | Low | 55.1 | Low | 37 Ų | 37 | 125.6 Ų | 125.6 | 38% | 0.381 | 69% | 0.69 | S | S | . | * | G | 310 helix | trans | 79.9 | -1.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R554 E555 | R554-G557 PolarHBondContact NE-O 3.23Å; R554-G557 PolarHBondContact NH2-O 3Å; R554-G557 PolarHBondContact O-N 3.13Å; E555-G557 PolarHBondContact O-N 3.25Å |
| 558 | K | 60.1 | Low | 56.5 | Low | 169 Ų | 169 | 127.2 Ų | 127.2 | 74% | 0.735 | 69% | 0.686 | S | S | * | * | | | trans | -104.5 | 159.3 | 174.9 | -70.8 | -178.6 | -178.1 | 174.6 | 0 | 111.3 | R554 E555 H556 | R554-K558 WeakPolarHBondContact CG-O 3.39Å; E555-K558 PolarHBondContact O-N 3.09Å; H556-K558 VanDerWaalsContact C-N 3.29Å; H556-K558 PolarHBondContact O-N 3.23Å |
| 559 | V | 64.9 | Low | 57.3 | Low | 87 Ų | 87 | 126.8 Ų | 126.8 | 53% | 0.527 | 68% | 0.676 | S | S | . | * | | | trans | -99 | 131.9 | 172.2 | 163.8 | 0 | 0 | 0 | 0 | 108.1 | K552 | K552-V559 HydrophobicContact CB-CG1 4.14Å; K552-V559 HydrophobicContact CB-CG2 4.28Å; K552-V559 HydrophobicContact CD-CG1 3.63Å; K552-V559 HydrophobicContact CG-CG1 4.22Å |
| 560 | V | 50.1 | Low | 58.6 | Low | 179 Ų | 179 | 129.9 Ų | 129.9 | 100% | 1.085 | 68% | 0.678 | S | S | * | * | | | trans | -87.4 | 0 | 164 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | K552 | K552-V560 PolarHBondContact NZ-O 2.64Š|