| 1 | M | 47.5 | Very low | 52.3 | Low | 243 Ų | 243 | 139.3 Ų | 139.3 | 100% | 1.197 | 75% | 0.753 | S | S | * | * | | | | 0 | 100.5 | 0 | -94 | -170.9 | -86.9 | 0 | 0 | 109.2 | | |
| 2 | Q | 44.3 | Very low | 53.4 | Low | 197 Ų | 197 | 136.5 Ų | 136.5 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | | | trans | -147.4 | 121.6 | 161.6 | -69.9 | -170.4 | -7.1 | 0 | 0 | 108 | | |
| 3 | R | 47.1 | Very low | 54.9 | Low | 241 Ų | 241 | 138.8 Ų | 138.8 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | | | trans | -119 | 125.1 | 158.4 | -80.5 | -168.7 | 178.2 | 106.6 | 0.5 | 105.6 | L5 | R3-L5 PolarHBondContact O-N 2.82Š|
| 4 | A | 50.9 | Low | 56.6 | Low | 104 Ų | 104 | 132.8 Ų | 132.8 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | | | trans | -60.5 | 130.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S6 | A4-S6 PolarHBondContact O-N 3.11Š|
| 5 | L | 51.8 | Low | 58.6 | Low | 155 Ų | 155 | 132.5 Ų | 132.5 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | | | trans | -83.5 | 96.8 | 171.4 | -69.8 | 169.2 | 0 | 0 | 0 | 107.7 | R3 F7 | R3-L5 PolarHBondContact O-N 2.82Å; L5-F7 PolarHBondContact O-N 3.41Å |
| 6 | S | 51 | Low | 60.5 | Low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | | | trans | -65.4 | 117.5 | 170.4 | 40.8 | 0 | 0 | 0 | 0 | 109.5 | A4 | A4-S6 PolarHBondContact O-N 3.11Š|
| 7 | F | 48.5 | Very low | 62.5 | Low | 159 Ų | 159 | 126.9 Ų | 126.9 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | | | trans | -69 | 145.9 | -173.6 | -68.1 | -90 | 0 | 0 | 0 | 111.9 | L5 A9 | L5-F7 PolarHBondContact O-N 3.41Å; F7-A9 PolarHBondContact O-N 3.02Å |
| 8 | P | 57 | Low | 64.2 | Low | 102 Ų | 102 | 124.7 Ų | 124.7 | 66% | 0.662 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -9 | 179.3 | 27.9 | -36 | 0 | 0 | 0 | 114.2 | T10 V11 | P8-T10 PolarHBondContact O-N 3.26Å; P8-T10 VanDerWaalsContact O-N 3.14Å; P8-V11 PolarHBondContact O-N 3.36Å; P8-V11 VanDerWaalsContact O-N 3.17Å |
| 9 | A | 55.8 | Low | 65.9 | Low | 47 Ų | 47 | 127.8 Ų | 127.8 | 39% | 0.388 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69 | -5.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | F7 R13 | F7-A9 PolarHBondContact O-N 3.02Å; A9-R13 WeakPolarHBondContact O-CG 3.13Å; A9-R13 PolarHBondContact O-NH1 2.94Å |
| 10 | T | 57.3 | Low | 67.4 | Low | 99 Ų | 99 | 127.6 Ų | 127.6 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -81.5 | -38.5 | 169.5 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | P8 R13 S14 | P8-T10 PolarHBondContact O-N 3.26Å; P8-T10 VanDerWaalsContact O-N 3.14Å; T10-R13 PolarHBondContact O-N 3.46Å; T10-S14 PolarHBondContact O-N 3.3Å |
| 11 | V | 64.6 | Low | 68.8 | Low | 68 Ų | 68 | 125.8 Ų | 125.8 | 41% | 0.412 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71.6 | -33.5 | -177.8 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | P8 S14 R15 | P8-V11 PolarHBondContact O-N 3.36Å; P8-V11 VanDerWaalsContact O-N 3.17Å; V11-S14 PolarHBondContact O-OG 3.23Å; V11-S14 VanDerWaalsContact O-OG 3.1Å; V11-R15 VanDerWaalsContact O-CG 3.31Å; V11-R15 WeakPolarHBondContact O-CG 3.25Å; V11-R15 PolarHBondContact O-N 3.42Å |
| 12 | E | 65.1 | Low | 71.2 | Confident | 106 Ų | 106 | 117.4 Ų | 117.4 | 50% | 0.495 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73 | -32.5 | 172.2 | -63.1 | -51 | 134.6 | 0 | 0 | 112 | R15 T16 | E12-R15 PolarHBondContact O-N 2.93Å; E12-R15 IonicContact OE1-CZ 2.65Å; E12-R15 IonicContact OE1-NH1 3.89Å; E12-R15 PolarHBondContact OE1-NH1 2.96Å; E12-R15 IonicContact OE2-NH1 3.9Å; E12-T16 PolarHBondContact O-N 2.93Å; E12-T16 VanDerWaalsContact O-N 3.07Å; E12-T16 PolarHBondContact O-OG1 3.5Å |
| 13 | R | 72.4 | Confident | 73.7 | Confident | 167 Ų | 167 | 111.5 Ų | 111.5 | 63% | 0.63 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.3 | -40.3 | 174.8 | -78.5 | -176.6 | -176.9 | 98.3 | -12.6 | 112.6 | A9 T10 T16 K17 | A9-R13 WeakPolarHBondContact O-CG 3.13Å; A9-R13 PolarHBondContact O-NH1 2.94Å; T10-R13 PolarHBondContact O-N 3.46Å; R13-T16 WeakPolarHBondContact CA-OG1 3.47Å; R13-T16 PolarHBondContact O-N 2.84Å; R13-T16 PolarHBondContact O-OG1 2.76Å; R13-K17 PolarHBondContact O-N 2.89Å |
| 14 | S | 79.3 | Confident | 76.2 | Confident | 54 Ų | 54 | 105.4 Ų | 105.4 | 38% | 0.378 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.1 | -47.6 | 173.8 | 74.6 | 0 | 0 | 0 | 0 | 110.3 | T10 V11 T16 K17 D18 | T10-S14 PolarHBondContact O-N 3.3Å; V11-S14 PolarHBondContact O-OG 3.23Å; V11-S14 VanDerWaalsContact O-OG 3.1Å; S14-T16 PolarHBondContact O-N 3.35Å; S14-T16 VanDerWaalsContact O-N 3.09Å; S14-K17 CarbonylContact O-C 3.28Å; S14-K17 WeakPolarHBondContact O-CA 3.48Å; S14-K17 WeakPolarHBondContact O-CB 3.26Å; S14-K17 PolarHBondContact O-N 2.62Å; S14-D18 PolarHBondContact O-N 2.91Å |
| 15 | R | 86.3 | Confident | 78.4 | Confident | 129 Ų | 129 | 103.3 Ų | 103.3 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56 | -30.5 | 175.4 | -73.1 | 170.3 | 177.1 | 159.6 | 4.1 | 114.2 | V11 E12 D18 R19 | V11-R15 VanDerWaalsContact O-CG 3.31Å; V11-R15 WeakPolarHBondContact O-CG 3.25Å; V11-R15 PolarHBondContact O-N 3.42Å; E12-R15 PolarHBondContact O-N 2.93Å; E12-R15 IonicContact OE1-CZ 2.65Å; E12-R15 IonicContact OE1-NH1 3.89Å; E12-R15 PolarHBondContact OE1-NH1 2.96Å; E12-R15 IonicContact OE2-NH1 3.9Å; R15-D18 WeakPolarHBondContact CA-OD2 3.41Å; R15-R19 WeakPolarHBondContact O-CB 3.27Å; R15-R19 VanDerWaalsContact O-CG 3.23Å; R15-R19 WeakPolarHBondContact O-CG 3.48Å; R15-R19 PolarHBondContact O-N 3.45Å |
| 16 | T | 89.5 | Confident | 80.6 | Confident | 74 Ų | 74 | 97.4 Ų | 97.4 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.2 | -36.5 | 171.4 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | E12 R13 S14 R19 L20 | E12-T16 PolarHBondContact O-N 2.93Å; E12-T16 VanDerWaalsContact O-N 3.07Å; E12-T16 PolarHBondContact O-OG1 3.5Å; R13-T16 WeakPolarHBondContact CA-OG1 3.47Å; R13-T16 PolarHBondContact O-N 2.84Å; R13-T16 PolarHBondContact O-OG1 2.76Å; S14-T16 PolarHBondContact O-N 3.35Å; S14-T16 VanDerWaalsContact O-N 3.09Å; T16-R19 PolarHBondContact O-N 3.49Å; T16-L20 WeakPolarHBondContact O-CB 3.28Å; T16-L20 VanDerWaalsContact O-CG 3.26Å; T16-L20 WeakPolarHBondContact O-CG 3.42Å; T16-L20 PolarHBondContact O-N 3.49Å |
| 17 | K | 94.1 | Very high | 82.8 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -54.7 | 170.6 | -179.1 | 168.5 | 175.4 | 170.9 | 0 | 110.1 | R13 S14 R19 L20 E21 D586 | R13-K17 PolarHBondContact O-N 2.89Å; S14-K17 CarbonylContact O-C 3.28Å; S14-K17 WeakPolarHBondContact O-CA 3.48Å; S14-K17 WeakPolarHBondContact O-CB 3.26Å; S14-K17 PolarHBondContact O-N 2.62Å; K17-R19 PolarHBondContact O-N 2.81Å; K17-R19 VanDerWaalsContact O-N 3.11Å; K17-L20 PolarHBondContact O-N 2.81Å; K17-E21 WeakPolarHBondContact CE-OE1 3.24Å; K17-E21 HydrophobicContact CG-CG 4.29Å; K17-E21 VanDerWaalsContact CG-OE1 3.32Å; K17-E21 WeakPolarHBondContact CG-OE1 3.48Å; K17-E21 IonicContact NZ-OE1 2.73Å; K17-E21 WeakPolarHBondContact O-CG 3.32Å; K17-E21 PolarHBondContact O-N 3.15Å; K17-D586 IonicContact NZ-OD2 2.77Å; K17-D586 PolarHBondContact NZ-OD2 2.89Å |
| 18 | D | 93.4 | Very high | 85.1 | Confident | 87 Ų | 87 | 93.6 Ų | 93.6 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -50.9 | -41.3 | 178.7 | -47.3 | -23 | 0 | 0 | 0 | 112.3 | S14 R15 A22 | S14-D18 PolarHBondContact O-N 2.91Å; R15-D18 WeakPolarHBondContact CA-OD2 3.41Å; D18-A22 WeakPolarHBondContact O-CB 3.18Å; D18-A22 PolarHBondContact O-N 3.48Å; D18-A22 VanDerWaalsContact O-N 3.08Å |
| 19 | R | 96.3 | Very high | 87.1 | Confident | 183 Ų | 183 | 93.5 Ų | 93.5 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.7 | -35.3 | 179.6 | -76.3 | 179.3 | 66.3 | -160.4 | -2.9 | 113.6 | R15 T16 K17 S23 | R15-R19 WeakPolarHBondContact O-CB 3.27Å; R15-R19 VanDerWaalsContact O-CG 3.23Å; R15-R19 WeakPolarHBondContact O-CG 3.48Å; R15-R19 PolarHBondContact O-N 3.45Å; T16-R19 PolarHBondContact O-N 3.49Å; K17-R19 PolarHBondContact O-N 2.81Å; K17-R19 VanDerWaalsContact O-N 3.11Å; R19-S23 WeakPolarHBondContact O-CB 3.49Å; R19-S23 PolarHBondContact O-N 2.81Å; R19-S23 PolarHBondContact O-OG 2.79Å |
| 20 | L | 97 | Very high | 89.1 | Confident | 124 Ų | 124 | 96.9 Ų | 96.9 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.9 | -41.4 | 176 | -73.1 | 168.6 | 0 | 0 | 0 | 110.7 | T16 K17 S23 L24 | T16-L20 WeakPolarHBondContact O-CB 3.28Å; T16-L20 VanDerWaalsContact O-CG 3.26Å; T16-L20 WeakPolarHBondContact O-CG 3.42Å; T16-L20 PolarHBondContact O-N 3.49Å; K17-L20 PolarHBondContact O-N 2.81Å; L20-S23 PolarHBondContact O-N 3.2Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.11Å |
| 21 | E | 96.4 | Very high | 91.1 | Very high | 90 Ų | 90 | 95.5 Ų | 95.5 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 173.4 | -70.8 | 176.9 | 174.4 | 0 | 0 | 111.8 | K17 S23 L24 A25 | K17-E21 WeakPolarHBondContact CE-OE1 3.24Å; K17-E21 HydrophobicContact CG-CG 4.29Å; K17-E21 VanDerWaalsContact CG-OE1 3.32Å; K17-E21 WeakPolarHBondContact CG-OE1 3.48Å; K17-E21 IonicContact NZ-OE1 2.73Å; K17-E21 WeakPolarHBondContact O-CG 3.32Å; K17-E21 PolarHBondContact O-N 3.15Å; E21-S23 VanDerWaalsContact C-N 3.26Å; E21-S23 PolarHBondContact O-N 3.39Å; E21-L24 PolarHBondContact O-N 2.89Å; E21-A25 WeakPolarHBondContact O-CB 3.23Å; E21-A25 PolarHBondContact O-N 3.09Å |
| 22 | A | 96.9 | Very high | 92.7 | Very high | 67 Ų | 67 | 96 Ų | 96 | 55% | 0.554 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.5 | -33.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D18 G26 | D18-A22 WeakPolarHBondContact O-CB 3.18Å; D18-A22 PolarHBondContact O-N 3.48Å; D18-A22 VanDerWaalsContact O-N 3.08Å; A22-G26 PolarHBondContact O-N 3.06Å; A22-G26 VanDerWaalsContact O-N 3.11Å |
| 23 | S | 98.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 97.5 Ų | 97.5 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.7 | -41.6 | 175.4 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | R19 L20 E21 G26 L27 | R19-S23 WeakPolarHBondContact O-CB 3.49Å; R19-S23 PolarHBondContact O-N 2.81Å; R19-S23 PolarHBondContact O-OG 2.79Å; L20-S23 PolarHBondContact O-N 3.2Å; E21-S23 VanDerWaalsContact C-N 3.26Å; E21-S23 PolarHBondContact O-N 3.39Å; S23-G26 PolarHBondContact O-N 2.82Å; S23-L27 WeakPolarHBondContact O-CG 3.45Å; S23-L27 PolarHBondContact O-N 3.25Å |
| 24 | L | 98.1 | Very high | 95.4 | Very high | 114 Ų | 114 | 95.2 Ų | 95.2 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -45.6 | 177 | -175.5 | 149.7 | 0 | 0 | 0 | 111.1 | L20 E21 G26 L27 C28 | L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.11Å; E21-L24 PolarHBondContact O-N 2.89Å; L24-G26 VanDerWaalsContact C-N 3.28Å; L24-G26 PolarHBondContact O-N 2.83Å; L24-L27 PolarHBondContact O-N 3Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L24-C28 PolarHBondContact O-N 2.98Å; L24-C28 PolarHBondContact O-SG 2.81Å; L24-C28 VanDerWaalsContact O-SG 3.34Å |
| 25 | A | 97.1 | Very high | 96.3 | Very high | 60 Ų | 60 | 96.8 Ų | 96.8 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.5 | -40.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | E21 C28 E29 | E21-A25 WeakPolarHBondContact O-CB 3.23Å; E21-A25 PolarHBondContact O-N 3.09Å; A25-C28 PolarHBondContact O-N 2.78Å; A25-E29 PolarHBondContact O-N 3.25Å |
| 26 | G | 98.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 96.3 Ų | 96.3 | 31% | 0.309 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A22 S23 L24 E29 L30 | A22-G26 PolarHBondContact O-N 3.06Å; A22-G26 VanDerWaalsContact O-N 3.11Å; S23-G26 PolarHBondContact O-N 2.82Å; L24-G26 VanDerWaalsContact C-N 3.28Å; L24-G26 PolarHBondContact O-N 2.83Å; G26-E29 PolarHBondContact O-N 3.41Å; G26-L30 WeakPolarHBondContact O-CB 3.26Å; G26-L30 VanDerWaalsContact O-CG 3.28Å; G26-L30 WeakPolarHBondContact O-CG 3.41Å; G26-L30 PolarHBondContact O-N 3.3Å |
| 27 | L | 98.3 | Very high | 97.2 | Very high | 118 Ų | 118 | 99.1 Ų | 99.1 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -42.7 | 174.4 | -71.3 | 170.4 | 0 | 0 | 0 | 111.8 | S23 L24 E29 L30 E31 | S23-L27 WeakPolarHBondContact O-CG 3.45Å; S23-L27 PolarHBondContact O-N 3.25Å; L24-L27 PolarHBondContact O-N 3Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L27-E29 PolarHBondContact O-N 3.43Å; L27-L30 PolarHBondContact O-N 3.43Å; L27-E31 PolarHBondContact O-N 3.28Å |
| 28 | C | 97.3 | Very high | 97.4 | Very high | 78 Ų | 78 | 98.7 Ų | 98.7 | 53% | 0.527 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 175.1 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | L24 A25 L32 | L24-C28 PolarHBondContact O-N 2.98Å; L24-C28 PolarHBondContact O-SG 2.81Å; L24-C28 VanDerWaalsContact O-SG 3.34Å; A25-C28 PolarHBondContact O-N 2.78Å; C28-L32 WeakPolarHBondContact O-CB 3.4Å; C28-L32 PolarHBondContact O-N 2.97Å; C28-L32 VanDerWaalsContact O-N 3.13Å |
| 29 | E | 98.1 | Very high | 97.4 | Very high | 101 Ų | 101 | 98.7 Ų | 98.7 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 172.6 | -179.9 | 169.2 | -161.3 | 0 | 0 | 111.5 | A25 G26 L27 E31 L32 R33 | A25-E29 PolarHBondContact O-N 3.25Å; G26-E29 PolarHBondContact O-N 3.41Å; L27-E29 PolarHBondContact O-N 3.43Å; E29-E31 VanDerWaalsContact C-N 3.35Å; E29-E31 PolarHBondContact O-N 2.88Å; E29-L32 CarbonylContact O-C 3.57Å; E29-L32 PolarHBondContact O-N 2.79Å; E29-R33 HydrophobicContact CG-CG 4.3Å; E29-R33 WeakPolarHBondContact O-CG 3.49Å; E29-R33 PolarHBondContact O-N 2.96Å; E29-R33 IonicContact OE1-CZ 2.7Å; E29-R33 VanDerWaalsContact OE1-CZ 3.28Å; E29-R33 IonicContact OE1-NE 3.06Å; E29-R33 PolarHBondContact OE1-NE 2.91Å; E29-R33 VanDerWaalsContact OE1-NE 3.08Å; E29-R33 IonicContact OE1-NH2 2.87Å; E29-R33 PolarHBondContact OE1-NH2 2.98Å |
| 30 | L | 98.3 | Very high | 97.4 | Very high | 117 Ų | 117 | 96.2 Ų | 96.2 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -42.2 | 179.6 | -75.6 | 170.4 | 0 | 0 | 0 | 112.3 | G26 L27 R33 R34 | G26-L30 WeakPolarHBondContact O-CB 3.26Å; G26-L30 VanDerWaalsContact O-CG 3.28Å; G26-L30 WeakPolarHBondContact O-CG 3.41Å; G26-L30 PolarHBondContact O-N 3.3Å; L27-L30 PolarHBondContact O-N 3.43Å; L30-R33 WeakPolarHBondContact O-CB 3.44Å; L30-R33 PolarHBondContact O-N 2.83Å; L30-R33 VanDerWaalsContact O-N 3.17Å; L30-R34 PolarHBondContact O-N 3.35Å |
| 31 | E | 98 | Very high | 97.4 | Very high | 71 Ų | 71 | 93.9 Ų | 93.9 | 33% | 0.332 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 174.4 | 176.7 | 57.8 | -167.4 | 0 | 0 | 111.5 | L27 E29 R33 R34 Q35 | L27-E31 PolarHBondContact O-N 3.28Å; E29-E31 VanDerWaalsContact C-N 3.35Å; E29-E31 PolarHBondContact O-N 2.88Å; E31-R33 VanDerWaalsContact C-N 3.29Å; E31-R33 PolarHBondContact O-N 3.05Å; E31-R34 WeakPolarHBondContact O-CB 3.29Å; E31-R34 PolarHBondContact O-N 2.9Å; E31-R34 VanDerWaalsContact O-N 3.14Å; E31-R34 IonicContact OE1-CZ 3.28Å; E31-R34 IonicContact OE1-NH1 3.93Å; E31-R34 PolarHBondContact OE1-NH1 2.98Å; E31-R34 IonicContact OE1-NH2 3.77Å; E31-R34 IonicContact OE2-CZ 2.67Å; E31-R34 IonicContact OE2-NE 3.41Å; E31-R34 IonicContact OE2-NH1 3.08Å; E31-R34 PolarHBondContact OE2-NH1 3.08Å; E31-Q35 WeakPolarHBondContact O-CG 3.35Å; E31-Q35 PolarHBondContact O-N 3.35Å; E31-Q35 PolarHBondContact OE1-NE2 3.34Å |
| 32 | L | 98.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 94.6 Ų | 94.6 | 40% | 0.403 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -27.7 | 174 | -177.1 | 60.5 | 0 | 0 | 0 | 113 | C28 E29 R36 | C28-L32 WeakPolarHBondContact O-CB 3.4Å; C28-L32 PolarHBondContact O-N 2.97Å; C28-L32 VanDerWaalsContact O-N 3.13Å; E29-L32 CarbonylContact O-C 3.57Å; E29-L32 PolarHBondContact O-N 2.79Å; L32-R36 WeakPolarHBondContact O-CD 3.34Å; L32-R36 VanDerWaalsContact O-CG 3.23Å; L32-R36 WeakPolarHBondContact O-CG 3.48Å; L32-R36 PolarHBondContact O-N 3.46Å |
| 33 | R | 97.1 | Very high | 97.1 | Very high | 139 Ų | 139 | 92.6 Ų | 92.6 | 53% | 0.525 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.4 | -42.8 | 169.2 | -60.1 | -42.6 | -173.4 | 96.6 | 2.1 | 110.9 | E29 L30 E31 R36 Q37 | E29-R33 HydrophobicContact CG-CG 4.3Å; E29-R33 WeakPolarHBondContact O-CG 3.49Å; E29-R33 PolarHBondContact O-N 2.96Å; E29-R33 IonicContact OE1-CZ 2.7Å; E29-R33 VanDerWaalsContact OE1-CZ 3.28Å; E29-R33 IonicContact OE1-NE 3.06Å; E29-R33 PolarHBondContact OE1-NE 2.91Å; E29-R33 VanDerWaalsContact OE1-NE 3.08Å; E29-R33 IonicContact OE1-NH2 2.87Å; E29-R33 PolarHBondContact OE1-NH2 2.98Å; L30-R33 WeakPolarHBondContact O-CB 3.44Å; L30-R33 PolarHBondContact O-N 2.83Å; L30-R33 VanDerWaalsContact O-N 3.17Å; E31-R33 VanDerWaalsContact C-N 3.29Å; E31-R33 PolarHBondContact O-N 3.05Å; R33-R36 PolarHBondContact O-N 3.17Å; R33-Q37 PolarHBondContact O-N 2.99Å |
| 34 | R | 98.2 | Very high | 96.9 | Very high | 118 Ų | 118 | 92.1 Ų | 92.1 | 45% | 0.445 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.5 | -54.8 | 177.7 | -164 | -152 | 91.8 | -148.8 | 8.3 | 110.4 | L30 E31 R36 Q37 E38 | L30-R34 PolarHBondContact O-N 3.35Å; E31-R34 WeakPolarHBondContact O-CB 3.29Å; E31-R34 PolarHBondContact O-N 2.9Å; E31-R34 VanDerWaalsContact O-N 3.14Å; E31-R34 IonicContact OE1-CZ 3.28Å; E31-R34 IonicContact OE1-NH1 3.93Å; E31-R34 PolarHBondContact OE1-NH1 2.98Å; E31-R34 IonicContact OE1-NH2 3.77Å; E31-R34 IonicContact OE2-CZ 2.67Å; E31-R34 IonicContact OE2-NE 3.41Å; E31-R34 IonicContact OE2-NH1 3.08Å; E31-R34 PolarHBondContact OE2-NH1 3.08Å; R34-R36 VanDerWaalsContact C-N 3.31Å; R34-R36 PolarHBondContact O-N 3.25Å; R34-Q37 CarbonylContact O-C 3.55Å; R34-Q37 PolarHBondContact O-N 2.82Å; R34-E38 IonicContact CZ-OE2 2.73Å; R34-E38 IonicContact NE-OE2 3.35Å; R34-E38 PolarHBondContact NE-OE2 3.04Å; R34-E38 IonicContact NH2-OE1 3.95Å; R34-E38 PolarHBondContact NH2-OE1 3.41Å; R34-E38 IonicContact NH2-OE2 2.72Å; R34-E38 PolarHBondContact NH2-OE2 2.87Å; R34-E38 VanDerWaalsContact O-CB 3.31Å; R34-E38 WeakPolarHBondContact O-CB 3.21Å; R34-E38 PolarHBondContact O-N 2.85Å |
| 35 | Q | 97.8 | Very high | 96.5 | Very high | 87 Ų | 87 | 92.3 Ų | 92.3 | 41% | 0.407 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.8 | -41.7 | 179.2 | -68.5 | 171.2 | 4.4 | 0 | 0 | 112.3 | E31 E38 C39 | E31-Q35 WeakPolarHBondContact O-CG 3.35Å; E31-Q35 PolarHBondContact O-N 3.35Å; E31-Q35 PolarHBondContact OE1-NE2 3.34Å; Q35-E38 WeakPolarHBondContact O-CB 3.27Å; Q35-E38 PolarHBondContact O-N 3.37Å; Q35-C39 PolarHBondContact O-N 2.7Å; Q35-C39 PolarHBondContact O-SG 3.35Å |
| 36 | R | 97.4 | Very high | 96 | Very high | 120 Ų | 120 | 92 Ų | 92 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.2 | -71 | 173.5 | -163.5 | -158.5 | 8.1 | 112.7 | L32 R33 R34 E38 L40 | L32-R36 WeakPolarHBondContact O-CD 3.34Å; L32-R36 VanDerWaalsContact O-CG 3.23Å; L32-R36 WeakPolarHBondContact O-CG 3.48Å; L32-R36 PolarHBondContact O-N 3.46Å; R33-R36 PolarHBondContact O-N 3.17Å; R34-R36 VanDerWaalsContact C-N 3.31Å; R34-R36 PolarHBondContact O-N 3.25Å; R36-E38 VanDerWaalsContact C-N 3.33Å; R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.33Å; R36-L40 PolarHBondContact O-N 3.06Å |
| 37 | Q | 97.8 | Very high | 95.1 | Very high | 133 Ų | 133 | 97.7 Ų | 97.7 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.4 | -37.6 | 176.8 | -177 | 174.3 | -17.8 | 0 | 0 | 111.2 | R33 R34 L40 V41 | R33-Q37 PolarHBondContact O-N 2.99Å; R34-Q37 CarbonylContact O-C 3.55Å; R34-Q37 PolarHBondContact O-N 2.82Å; Q37-L40 PolarHBondContact O-N 2.75Å; Q37-V41 HydrophobicContact CG-CG2 4.46Å; Q37-V41 WeakPolarHBondContact O-CB 3.3Å; Q37-V41 VanDerWaalsContact O-CG2 3.31Å; Q37-V41 WeakPolarHBondContact O-CG2 3.29Å; Q37-V41 PolarHBondContact O-N 2.9Å |
| 38 | E | 97.2 | Very high | 93.8 | Very high | 86 Ų | 86 | 95 Ų | 95 | 40% | 0.402 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 174.9 | -165.6 | 170.3 | 150.6 | 0 | 0 | 111 | R34 Q35 R36 L40 V41 L42 | R34-E38 IonicContact CZ-OE2 2.73Å; R34-E38 IonicContact NE-OE2 3.35Å; R34-E38 PolarHBondContact NE-OE2 3.04Å; R34-E38 IonicContact NH2-OE1 3.95Å; R34-E38 PolarHBondContact NH2-OE1 3.41Å; R34-E38 IonicContact NH2-OE2 2.72Å; R34-E38 PolarHBondContact NH2-OE2 2.87Å; R34-E38 VanDerWaalsContact O-CB 3.31Å; R34-E38 WeakPolarHBondContact O-CB 3.21Å; R34-E38 PolarHBondContact O-N 2.85Å; Q35-E38 WeakPolarHBondContact O-CB 3.27Å; Q35-E38 PolarHBondContact O-N 3.37Å; R36-E38 VanDerWaalsContact C-N 3.33Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.45Å; E38-V41 PolarHBondContact O-N 3.47Å; E38-L42 HydrophobicContact CG-CD1 4.34Å; E38-L42 WeakPolarHBondContact O-CB 3.38Å; E38-L42 VanDerWaalsContact O-CG 3.27Å; E38-L42 WeakPolarHBondContact O-CG 3.18Å; E38-L42 PolarHBondContact O-N 3.49Å |
| 39 | C | 94.4 | Very high | 91.9 | Very high | 88 Ų | 88 | 98.9 Ų | 98.9 | 60% | 0.595 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.9 | -39.8 | 171.5 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | Q35 G43 | Q35-C39 PolarHBondContact O-N 2.7Å; Q35-C39 PolarHBondContact O-SG 3.35Å; C39-G43 PolarHBondContact O-N 2.71Å |
| 40 | L | 95.6 | Very high | 89.6 | Confident | 131 Ų | 131 | 99.1 Ų | 99.1 | 69% | 0.686 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.1 | -38.4 | 177.5 | -74 | 168.1 | 0 | 0 | 0 | 112.3 | R36 Q37 E38 A44 | R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.33Å; R36-L40 PolarHBondContact O-N 3.06Å; Q37-L40 PolarHBondContact O-N 2.75Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.45Å; L40-A44 WeakPolarHBondContact O-CB 3.23Å; L40-A44 PolarHBondContact O-N 2.99Å |
| 41 | V | 96.6 | Very high | 87.3 | Confident | 74 Ų | 74 | 99.3 Ų | 99.3 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69 | -45.9 | 175.6 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | Q37 E38 G43 A44 L45 | Q37-V41 HydrophobicContact CG-CG2 4.46Å; Q37-V41 WeakPolarHBondContact O-CB 3.3Å; Q37-V41 VanDerWaalsContact O-CG2 3.31Å; Q37-V41 WeakPolarHBondContact O-CG2 3.29Å; Q37-V41 PolarHBondContact O-N 2.9Å; E38-V41 PolarHBondContact O-N 3.47Å; V41-G43 VanDerWaalsContact C-N 3.35Å; V41-G43 PolarHBondContact O-N 3.16Å; V41-A44 PolarHBondContact O-N 3.34Å; V41-L45 HydrophobicContact CG1-CD1 3.9Å; V41-L45 HydrophobicContact CG1-CG 4.39Å; V41-L45 WeakPolarHBondContact O-CB 3.41Å; V41-L45 VanDerWaalsContact O-CG 3.3Å; V41-L45 WeakPolarHBondContact O-CG 3.37Å; V41-L45 PolarHBondContact O-N 3.39Å |
| 42 | L | 95.3 | Very high | 85 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 55% | 0.55 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.9 | -41.3 | 176.4 | -70.1 | 169.7 | 0 | 0 | 0 | 111.8 | E38 L45 A46 | E38-L42 HydrophobicContact CG-CD1 4.34Å; E38-L42 WeakPolarHBondContact O-CB 3.38Å; E38-L42 VanDerWaalsContact O-CG 3.27Å; E38-L42 WeakPolarHBondContact O-CG 3.18Å; E38-L42 PolarHBondContact O-N 3.49Å; L42-L45 PolarHBondContact O-N 3.25Å; L42-A46 WeakPolarHBondContact O-CB 3.41Å; L42-A46 PolarHBondContact O-N 2.96Å |
| 43 | G | 93.3 | Very high | 82.9 | Confident | 25 Ų | 25 | 106.1 Ų | 106.1 | 26% | 0.258 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.2 | -39.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C39 V41 A46 L47 | C39-G43 PolarHBondContact O-N 2.71Å; V41-G43 VanDerWaalsContact C-N 3.35Å; V41-G43 PolarHBondContact O-N 3.16Å; G43-A46 PolarHBondContact O-N 3.3Å; G43-L47 WeakPolarHBondContact O-CG 3.12Å; G43-L47 PolarHBondContact O-N 3.42Å |
| 44 | A | 91.9 | Very high | 80.5 | Confident | 63 Ų | 63 | 106.7 Ų | 106.7 | 52% | 0.521 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69 | -33.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L40 V41 G48 | L40-A44 WeakPolarHBondContact O-CB 3.23Å; L40-A44 PolarHBondContact O-N 2.99Å; V41-A44 PolarHBondContact O-N 3.34Å; A44-G48 PolarHBondContact O-N 3.25Å; A44-G48 VanDerWaalsContact O-N 3.17Å |
| 45 | L | 91.2 | Very high | 78.2 | Confident | 117 Ų | 117 | 105.1 Ų | 105.1 | 61% | 0.613 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.3 | -41.7 | 173.9 | -71 | 169.4 | 0 | 0 | 0 | 111.5 | V41 L42 L47 G48 E49 | V41-L45 HydrophobicContact CG1-CD1 3.9Å; V41-L45 HydrophobicContact CG1-CG 4.39Å; V41-L45 WeakPolarHBondContact O-CB 3.41Å; V41-L45 VanDerWaalsContact O-CG 3.3Å; V41-L45 WeakPolarHBondContact O-CG 3.37Å; V41-L45 PolarHBondContact O-N 3.39Å; L42-L45 PolarHBondContact O-N 3.25Å; L45-L47 VanDerWaalsContact C-N 3.31Å; L45-L47 PolarHBondContact O-N 3.29Å; L45-G48 WeakPolarHBondContact O-CA 3.14Å; L45-G48 PolarHBondContact O-N 3.19Å; L45-E49 PolarHBondContact O-N 3.21Å |
| 46 | A | 85.9 | Confident | 75.8 | Confident | 54 Ų | 54 | 105.3 Ų | 105.3 | 45% | 0.446 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.1 | -33.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L42 G43 G48 F63 | L42-A46 WeakPolarHBondContact O-CB 3.41Å; L42-A46 PolarHBondContact O-N 2.96Å; G43-A46 PolarHBondContact O-N 3.3Å; A46-G48 VanDerWaalsContact C-N 3.25Å; A46-G48 PolarHBondContact O-N 3.33Å; A46-F63 HydrophobicContact CB-CZ 4.33Å |
| 47 | L | 80.1 | Confident | 73.5 | Confident | 150 Ų | 150 | 111.4 Ų | 111.4 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -9.7 | 170.9 | -69.9 | 170.2 | 0 | 0 | 0 | 113.7 | G43 L45 | G43-L47 WeakPolarHBondContact O-CG 3.12Å; G43-L47 PolarHBondContact O-N 3.42Å; L45-L47 VanDerWaalsContact C-N 3.31Å; L45-L47 PolarHBondContact O-N 3.29Å |
| 48 | G | 69.9 | Low | 71.2 | Confident | 60 Ų | 60 | 107.1 Ų | 107.1 | 62% | 0.619 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -9.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A44 L45 A46 | A44-G48 PolarHBondContact O-N 3.25Å; A44-G48 VanDerWaalsContact O-N 3.17Å; L45-G48 WeakPolarHBondContact O-CA 3.14Å; L45-G48 PolarHBondContact O-N 3.19Å; A46-G48 VanDerWaalsContact C-N 3.25Å; A46-G48 PolarHBondContact O-N 3.33Å |
| 49 | E | 58.3 | Low | 68.8 | Low | 161 Ų | 161 | 110.1 Ų | 110.1 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -78.3 | 123.9 | 172.6 | -161.3 | 173.5 | -127.8 | 0 | 0 | 109.4 | L45 | L45-E49 PolarHBondContact O-N 3.21Š|
| 50 | P | 50.1 | Low | 66.7 | Low | 105 Ų | 105 | 112.8 Ų | 112.8 | 68% | 0.682 | 67% | 0.666 | S | S | * | * | | | trans | -67.7 | 135.2 | 177.1 | 28.4 | -33.6 | 0 | 0 | 0 | 109.4 | A52 | P50-A52 PolarHBondContact O-N 3.33Š|
| 51 | P | 49.2 | Very low | 64.4 | Low | 121 Ų | 121 | 113.6 Ų | 113.6 | 79% | 0.786 | 67% | 0.666 | S | S | * | * | | | trans | -63.2 | 113.7 | 178.7 | 25.8 | -33.6 | 0 | 0 | 0 | 109.8 | Q53 | P51-Q53 PolarHBondContact O-N 3.33Š|
| 52 | A | 50.2 | Low | 61.9 | Low | 91 Ų | 91 | 118 Ų | 118 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | | | trans | -54.9 | 131 | 164 | 0 | 0 | 0 | 0 | 0 | 108.3 | P50 D54 | P50-A52 PolarHBondContact O-N 3.33Å; A52-D54 PolarHBondContact O-N 3.35Å |
| 53 | Q | 52.9 | Low | 59.5 | Low | 200 Ų | 200 | 119.4 Ų | 119.4 | 94% | 0.935 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -77.6 | 68.9 | -175.6 | -67.1 | -174.7 | 15 | 0 | 0 | 111.6 | P51 | P51-Q53 PolarHBondContact O-N 3.33Š|
| 54 | D | 46.9 | Very low | 57.6 | Low | 152 Ų | 152 | 121.9 Ų | 121.9 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -142.4 | 140.7 | 163.7 | -109.7 | -43.2 | 0 | 0 | 0 | 111.4 | A52 S56 | A52-D54 PolarHBondContact O-N 3.35Å; D54-S56 PolarHBondContact O-N 3.34Å |
| 55 | G | 51.2 | Low | 55.6 | Low | 85 Ų | 85 | 121.6 Ų | 121.6 | 88% | 0.876 | 69% | 0.685 | S | S | * | * | | | trans | -83.6 | 96.7 | -155.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 56 | S | 46.5 | Very low | 53.5 | Low | 90 Ų | 90 | 123.7 Ų | 123.7 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | | | trans | -127.4 | 79.4 | 166.7 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | D54 G58 | D54-S56 PolarHBondContact O-N 3.34Å; S56-G58 PolarHBondContact O-N 2.6Å |
| 57 | R | 49.1 | Very low | 52.1 | Low | 248 Ų | 248 | 123 Ų | 123 | 94% | 0.936 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 65.6 | 174.7 | -171.2 | -172.8 | 174.7 | -84.6 | 3.4 | 111.9 | | |
| 58 | G | 49.5 | Very low | 50.8 | Low | 43 Ų | 43 | 122.2 Ų | 122.2 | 44% | 0.443 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -152.6 | -23.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | S56 | S56-G58 PolarHBondContact O-N 2.6Š|
| 59 | E | 47.8 | Very low | 50.2 | Low | 150 Ų | 150 | 123.3 Ų | 123.3 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -23.6 | -173.1 | -160.3 | 148.9 | -141.9 | 0 | 0 | 113.8 | E61 Y62 | E59-E61 VanDerWaalsContact C-N 3.28Å; E59-E61 PolarHBondContact O-N 3.4Å; E59-Y62 PolarHBondContact O-N 3.34Å |
| 60 | L | 49.1 | Very low | 50.3 | Low | 144 Ų | 144 | 118.8 Ų | 118.8 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.4 | -22 | -179.4 | -155 | 75.5 | 0 | 0 | 0 | 113.9 | Y62 S64 | L60-Y62 VanDerWaalsContact C-N 3.35Å; L60-S64 PolarHBondContact O-OG 3.1Å |
| 61 | E | 46.9 | Very low | 51 | Low | 148 Ų | 148 | 118.6 Ų | 118.6 | 69% | 0.692 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.6 | -29 | 178 | -65.3 | -171.1 | 150.8 | 0 | 0 | 111.9 | E59 F63 S64 S65 | E59-E61 VanDerWaalsContact C-N 3.28Å; E59-E61 PolarHBondContact O-N 3.4Å; E61-F63 PolarHBondContact O-N 3.27Å; E61-S64 WeakPolarHBondContact O-CB 3.41Å; E61-S64 PolarHBondContact O-N 2.96Å; E61-S65 PolarHBondContact O-N 3.4Å |
| 62 | Y | 44.6 | Very low | 51.8 | Low | 165 Ų | 165 | 115.9 Ų | 115.9 | 65% | 0.647 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.6 | -40.2 | -175.4 | -158.3 | -101.6 | 0 | 0 | 0 | 112.6 | E59 L60 S64 S65 W66 | E59-Y62 PolarHBondContact O-N 3.34Å; L60-Y62 VanDerWaalsContact C-N 3.35Å; Y62-S64 VanDerWaalsContact C-N 3.34Å; Y62-S65 WeakPolarHBondContact O-CB 3.47Å; Y62-S65 PolarHBondContact O-N 2.93Å; Y62-W66 PolarHBondContact O-N 3.21Å |
| 63 | F | 45.8 | Very low | 52.5 | Low | 136 Ų | 136 | 115.8 Ų | 115.8 | 60% | 0.596 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.9 | -31.6 | 174.9 | -79.7 | -84.6 | 0 | 0 | 0 | 113.1 | A46 E61 | A46-F63 HydrophobicContact CB-CZ 4.33Å; E61-F63 PolarHBondContact O-N 3.27Å |
| 64 | S | 51.6 | Low | 53.3 | Low | 77 Ų | 77 | 112.7 Ų | 112.7 | 54% | 0.538 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.7 | -39 | 174.4 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | L60 E61 Y62 W66 G67 Q68 | L60-S64 PolarHBondContact O-OG 3.1Å; E61-S64 WeakPolarHBondContact O-CB 3.41Å; E61-S64 PolarHBondContact O-N 2.96Å; Y62-S64 VanDerWaalsContact C-N 3.34Å; S64-W66 PolarHBondContact O-N 2.91Å; S64-G67 PolarHBondContact O-N 2.97Å; S64-Q68 WeakPolarHBondContact O-CB 3.44Å; S64-Q68 PolarHBondContact O-N 3.44Å |
| 65 | S | 51.3 | Low | 54.4 | Low | 56 Ų | 56 | 113.6 Ų | 113.6 | 39% | 0.392 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -54.9 | -50.7 | 175.7 | -168.3 | 0 | 0 | 0 | 0 | 112.2 | E61 Y62 G67 Q68 E69 | E61-S65 PolarHBondContact O-N 3.4Å; Y62-S65 WeakPolarHBondContact O-CB 3.47Å; Y62-S65 PolarHBondContact O-N 2.93Å; S65-G67 PolarHBondContact O-N 3.17Å; S65-Q68 PolarHBondContact O-N 3.38Å; S65-Q68 VanDerWaalsContact O-N 3.11Å; S65-E69 WeakPolarHBondContact O-CG 3.32Å; S65-E69 PolarHBondContact O-N 3.01Å |
| 66 | W | 47.3 | Very low | 55.1 | Low | 162 Ų | 162 | 115 Ų | 115 | 61% | 0.614 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.5 | -38.4 | -174.1 | -147.1 | -27.8 | 0 | 0 | 0 | 112.7 | Y62 S64 E69 N70 | Y62-W66 PolarHBondContact O-N 3.21Å; S64-W66 PolarHBondContact O-N 2.91Å; W66-E69 VanDerWaalsContact CD1-OE1 3.3Å; W66-N70 VanDerWaalsContact O-CB 3.29Å; W66-N70 WeakPolarHBondContact O-CB 3.44Å; W66-N70 PolarHBondContact O-N 2.88Å |
| 67 | G | 54.9 | Low | 56 | Low | 40 Ų | 40 | 116.1 Ų | 116.1 | 41% | 0.412 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.5 | -42.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S64 S65 L71 | S64-G67 PolarHBondContact O-N 2.97Å; S65-G67 PolarHBondContact O-N 3.17Å; G67-L71 WeakPolarHBondContact O-CB 3.33Å; G67-L71 WeakPolarHBondContact O-CD1 3.31Å; G67-L71 VanDerWaalsContact O-CG 3.26Å; G67-L71 WeakPolarHBondContact O-CG 3.38Å; G67-L71 PolarHBondContact O-N 3.5Å |
| 68 | Q | 53.4 | Low | 56.6 | Low | 133 Ų | 133 | 107.5 Ų | 107.5 | 62% | 0.621 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73 | -42.6 | -176.6 | -165.7 | 169.2 | 11.1 | 0 | 0 | 112.6 | S64 S65 L71 T72 | S64-Q68 WeakPolarHBondContact O-CB 3.44Å; S64-Q68 PolarHBondContact O-N 3.44Å; S65-Q68 PolarHBondContact O-N 3.38Å; S65-Q68 VanDerWaalsContact O-N 3.11Å; Q68-L71 CarbonylContact O-C 3.57Å; Q68-L71 WeakPolarHBondContact O-CB 3.44Å; Q68-L71 PolarHBondContact O-N 2.84Å; Q68-T72 PolarHBondContact O-N 3.36Å; Q68-T72 PolarHBondContact O-OG1 2.87Å |
| 69 | E | 57 | Low | 56.9 | Low | 83 Ų | 83 | 107.9 Ų | 107.9 | 39% | 0.388 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.9 | -36.3 | 178.9 | 78.3 | -168.6 | 168.6 | 0 | 0 | 112.2 | S65 W66 L71 T72 L73 | S65-E69 WeakPolarHBondContact O-CG 3.32Å; S65-E69 PolarHBondContact O-N 3.01Å; W66-E69 VanDerWaalsContact CD1-OE1 3.3Å; E69-L71 PolarHBondContact O-N 3.18Å; E69-T72 WeakPolarHBondContact CA-OG1 3.48Å; E69-T72 PolarHBondContact O-N 3.05Å; E69-T72 PolarHBondContact O-OG1 3.35Å; E69-T72 VanDerWaalsContact O-OG1 3.05Å; E69-L73 VanDerWaalsContact O-CB 3.3Å; E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.37Å; E69-L73 PolarHBondContact O-N 3.25Å |
| 70 | N | 61.5 | Low | 57.2 | Low | 65 Ų | 65 | 105 Ų | 105 | 35% | 0.348 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -33.8 | 173.4 | -156.8 | -95.4 | 0 | 0 | 0 | 110.8 | W66 R74 | W66-N70 VanDerWaalsContact O-CB 3.29Å; W66-N70 WeakPolarHBondContact O-CB 3.44Å; W66-N70 PolarHBondContact O-N 2.88Å; N70-R74 VanDerWaalsContact O-CB 3.25Å; N70-R74 WeakPolarHBondContact O-CB 3.29Å; N70-R74 WeakPolarHBondContact O-CD 3.28Å; N70-R74 WeakPolarHBondContact O-CG 3.43Å; N70-R74 PolarHBondContact O-N 3.26Å; N70-R74 WeakPolarHBondContact OD1-CD 3.41Å; N70-R74 PolarHBondContact OD1-NH1 3.29Å |
| 71 | L | 63.2 | Low | 57.5 | Low | 102 Ų | 102 | 105.9 Ų | 105.9 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.3 | -34.7 | 173.9 | -74.3 | 170.9 | 0 | 0 | 0 | 113.6 | G67 Q68 E69 R75 | G67-L71 WeakPolarHBondContact O-CB 3.33Å; G67-L71 WeakPolarHBondContact O-CD1 3.31Å; G67-L71 VanDerWaalsContact O-CG 3.26Å; G67-L71 WeakPolarHBondContact O-CG 3.38Å; G67-L71 PolarHBondContact O-N 3.5Å; Q68-L71 CarbonylContact O-C 3.57Å; Q68-L71 WeakPolarHBondContact O-CB 3.44Å; Q68-L71 PolarHBondContact O-N 2.84Å; E69-L71 PolarHBondContact O-N 3.18Å; L71-R75 WeakPolarHBondContact O-CB 3.38Å; L71-R75 PolarHBondContact O-N 3.26Å |
| 72 | T | 67.1 | Low | 57.8 | Low | 63 Ų | 63 | 103.5 Ų | 103.5 | 39% | 0.387 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73 | -44.9 | 174.6 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | Q68 E69 R74 R75 Q76 | Q68-T72 PolarHBondContact O-N 3.36Å; Q68-T72 PolarHBondContact O-OG1 2.87Å; E69-T72 WeakPolarHBondContact CA-OG1 3.48Å; E69-T72 PolarHBondContact O-N 3.05Å; E69-T72 PolarHBondContact O-OG1 3.35Å; E69-T72 VanDerWaalsContact O-OG1 3.05Å; T72-R74 VanDerWaalsContact C-N 3.33Å; T72-R74 PolarHBondContact O-N 3.05Å; T72-R75 CarbonylContact O-C 3.55Å; T72-R75 WeakPolarHBondContact O-CA 3.46Å; T72-R75 WeakPolarHBondContact O-CB 3.35Å; T72-R75 PolarHBondContact O-N 3.03Å; T72-Q76 WeakPolarHBondContact O-CB 3.3Å; T72-Q76 WeakPolarHBondContact O-CG 3.48Å; T72-Q76 PolarHBondContact O-N 2.8Å |
| 73 | L | 65.3 | Low | 58.5 | Low | 89 Ų | 89 | 98 Ų | 98 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 174 | -74 | 169.1 | 0 | 0 | 0 | 111.3 | E69 R75 Q76 L77 | E69-L73 VanDerWaalsContact O-CB 3.3Å; E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.37Å; E69-L73 PolarHBondContact O-N 3.25Å; L73-R75 VanDerWaalsContact C-N 3.33Å; L73-R75 PolarHBondContact O-N 2.81Å; L73-Q76 PolarHBondContact O-N 3.27Å; L73-L77 VanDerWaalsContact O-CB 3.31Å; L73-L77 WeakPolarHBondContact O-CB 3.23Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 3.15Å |
| 74 | R | 69.3 | Low | 59.1 | Low | 135 Ų | 135 | 95.6 Ų | 95.6 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -37.3 | 173.5 | -76.2 | 165.5 | 119.4 | 139.6 | -3.2 | 112.7 | N70 T72 S78 | N70-R74 VanDerWaalsContact O-CB 3.25Å; N70-R74 WeakPolarHBondContact O-CB 3.29Å; N70-R74 WeakPolarHBondContact O-CD 3.28Å; N70-R74 WeakPolarHBondContact O-CG 3.43Å; N70-R74 PolarHBondContact O-N 3.26Å; N70-R74 WeakPolarHBondContact OD1-CD 3.41Å; N70-R74 PolarHBondContact OD1-NH1 3.29Å; T72-R74 VanDerWaalsContact C-N 3.33Å; T72-R74 PolarHBondContact O-N 3.05Å; R74-S78 VanDerWaalsContact O-CB 3.22Å; R74-S78 WeakPolarHBondContact O-CB 3.49Å; R74-S78 PolarHBondContact O-N 2.97Å; R74-S78 PolarHBondContact O-OG 2.85Å |
| 75 | R | 70 | Confident | 59.6 | Low | 172 Ų | 172 | 99.5 Ų | 99.5 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.8 | -44 | 177 | -150 | 175.1 | -56.4 | -157.5 | 3.9 | 111.1 | L71 T72 L73 S78 A79 | L71-R75 WeakPolarHBondContact O-CB 3.38Å; L71-R75 PolarHBondContact O-N 3.26Å; T72-R75 CarbonylContact O-C 3.55Å; T72-R75 WeakPolarHBondContact O-CA 3.46Å; T72-R75 WeakPolarHBondContact O-CB 3.35Å; T72-R75 PolarHBondContact O-N 3.03Å; L73-R75 VanDerWaalsContact C-N 3.33Å; L73-R75 PolarHBondContact O-N 2.81Å; R75-S78 WeakPolarHBondContact CA-OG 3.4Å; R75-S78 PolarHBondContact O-N 3.41Å; R75-S78 PolarHBondContact O-OG 2.92Å; R75-A79 WeakPolarHBondContact O-CB 3.49Å; R75-A79 PolarHBondContact O-N 3.38Å |
| 76 | Q | 65.2 | Low | 60.8 | Low | 114 Ų | 114 | 98.8 Ų | 98.8 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -50.2 | 174.4 | -72.2 | 168.2 | -26.9 | 0 | 0 | 111.8 | T72 L73 S78 A79 L80 | T72-Q76 WeakPolarHBondContact O-CB 3.3Å; T72-Q76 WeakPolarHBondContact O-CG 3.48Å; T72-Q76 PolarHBondContact O-N 2.8Å; L73-Q76 PolarHBondContact O-N 3.27Å; Q76-S78 VanDerWaalsContact C-N 3.3Å; Q76-S78 PolarHBondContact O-N 3.22Å; Q76-A79 WeakPolarHBondContact O-CB 3.31Å; Q76-A79 PolarHBondContact O-N 2.86Å; Q76-A79 VanDerWaalsContact O-N 3.1Å; Q76-L80 WeakPolarHBondContact O-CG 3.46Å; Q76-L80 PolarHBondContact O-N 2.93Å |
| 77 | L | 66.1 | Low | 62.1 | Low | 113 Ų | 113 | 95.2 Ų | 95.2 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -37.9 | 175.4 | -70.3 | 169 | 0 | 0 | 0 | 111.9 | L73 H81 | L73-L77 VanDerWaalsContact O-CB 3.31Å; L73-L77 WeakPolarHBondContact O-CB 3.23Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 3.15Å; L77-H81 WeakPolarHBondContact O-CB 3.48Å; L77-H81 PolarHBondContact O-N 2.67Å |
| 78 | S | 62.6 | Low | 63.2 | Low | 68 Ų | 68 | 98.1 Ų | 98.1 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.7 | -34.2 | 174 | 74.9 | 0 | 0 | 0 | 0 | 112.9 | R74 R75 Q76 S82 | R74-S78 VanDerWaalsContact O-CB 3.22Å; R74-S78 WeakPolarHBondContact O-CB 3.49Å; R74-S78 PolarHBondContact O-N 2.97Å; R74-S78 PolarHBondContact O-OG 2.85Å; R75-S78 WeakPolarHBondContact CA-OG 3.4Å; R75-S78 PolarHBondContact O-N 3.41Å; R75-S78 PolarHBondContact O-OG 2.92Å; Q76-S78 VanDerWaalsContact C-N 3.3Å; Q76-S78 PolarHBondContact O-N 3.22Å; S78-S82 WeakPolarHBondContact O-CB 3.27Å; S78-S82 PolarHBondContact O-N 2.98Å; S78-S82 PolarHBondContact O-OG 3.46Å |
| 79 | A | 55.2 | Low | 64.4 | Low | 50 Ų | 50 | 95.8 Ų | 95.8 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.2 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R75 Q76 H81 S82 A83 | R75-A79 WeakPolarHBondContact O-CB 3.49Å; R75-A79 PolarHBondContact O-N 3.38Å; Q76-A79 WeakPolarHBondContact O-CB 3.31Å; Q76-A79 PolarHBondContact O-N 2.86Å; Q76-A79 VanDerWaalsContact O-N 3.1Å; A79-H81 VanDerWaalsContact C-N 3.34Å; A79-H81 PolarHBondContact O-N 3.08Å; A79-S82 WeakPolarHBondContact CA-OG 3.37Å; A79-S82 PolarHBondContact O-N 3.19Å; A79-S82 PolarHBondContact O-OG 2.79Å; A79-A83 PolarHBondContact O-N 2.77Å |
| 80 | L | 53.4 | Low | 65.3 | Low | 89 Ų | 89 | 94.2 Ų | 94.2 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 173.4 | -68.1 | 169.6 | 0 | 0 | 0 | 111.5 | Q76 S82 A83 L87 | Q76-L80 WeakPolarHBondContact O-CG 3.46Å; Q76-L80 PolarHBondContact O-N 2.93Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 3.5Å; L80-A83 CarbonylContact O-C 3.59Å; L80-A83 VanDerWaalsContact O-C 3.28Å; L80-A83 PolarHBondContact O-N 3.48Å; L80-L87 HydrophobicContact CD2-CD1 4.1Å |
| 81 | H | 55.7 | Low | 66.3 | Low | 164 Ų | 164 | 95.5 Ų | 95.5 | 76% | 0.759 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.2 | -22.7 | 175.1 | -169.5 | -64.9 | 0 | 0 | 0 | 113.2 | L77 A79 | L77-H81 WeakPolarHBondContact O-CB 3.48Å; L77-H81 PolarHBondContact O-N 2.67Å; A79-H81 VanDerWaalsContact C-N 3.34Å; A79-H81 PolarHBondContact O-N 3.08Å |
| 82 | S | 53.5 | Low | 67.2 | Low | 97 Ų | 97 | 96 Ų | 96 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -83.5 | -20.7 | 173.9 | 76.8 | 0 | 0 | 0 | 0 | 113.6 | S78 A79 L80 P84 | S78-S82 WeakPolarHBondContact O-CB 3.27Å; S78-S82 PolarHBondContact O-N 2.98Å; S78-S82 PolarHBondContact O-OG 3.46Å; A79-S82 WeakPolarHBondContact CA-OG 3.37Å; A79-S82 PolarHBondContact O-N 3.19Å; A79-S82 PolarHBondContact O-OG 2.79Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 3.5Å; S82-P84 VanDerWaalsContact C-CD 3.44Å |
| 83 | A | 59.4 | Low | 67.8 | Low | 49 Ų | 49 | 97.7 Ų | 97.7 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | | | trans | -130.1 | 55.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A79 L80 W85 G86 | A79-A83 PolarHBondContact O-N 2.77Å; L80-A83 CarbonylContact O-C 3.59Å; L80-A83 VanDerWaalsContact O-C 3.28Å; L80-A83 PolarHBondContact O-N 3.48Å; A83-W85 PolarHBondContact O-N 3.4Å; A83-W85 VanDerWaalsContact O-N 3.13Å; A83-G86 PolarHBondContact O-N 3.14Å |
| 84 | P | 57.8 | Low | 68.5 | Low | 87 Ų | 87 | 99.6 Ų | 99.6 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.2 | -28.9 | 179.1 | 26 | -35.2 | 0 | 0 | 0 | 112.1 | S82 G86 M88 | S82-P84 VanDerWaalsContact C-CD 3.44Å; P84-G86 VanDerWaalsContact C-N 3.34Å; P84-G86 PolarHBondContact O-N 3.34Å; P84-M88 WeakPolarHBondContact O-CB 3.38Å; P84-M88 PolarHBondContact O-N 2.72Å |
| 85 | W | 62.3 | Low | 68.9 | Low | 159 Ų | 159 | 97.9 Ų | 97.9 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.6 | -42 | 171.5 | -174.2 | -90.5 | 0 | 0 | 0 | 112.9 | A83 M88 Q89 | A83-W85 PolarHBondContact O-N 3.4Å; A83-W85 VanDerWaalsContact O-N 3.13Å; W85-M88 HydrophobicContact CD2-CE 4.47Å; W85-M88 HydrophobicContact CE3-CE 3.64Å; W85-M88 HydrophobicContact CH2-CE 4.47Å; W85-M88 HydrophobicContact CZ3-CE 3.64Å; W85-M88 PolarHBondContact O-N 3.43Å; W85-Q89 VanDerWaalsContact O-CB 3.26Å; W85-Q89 WeakPolarHBondContact O-CB 3.47Å; W85-Q89 PolarHBondContact O-N 2.84Å |
| 86 | G | 76.4 | Confident | 69.1 | Low | 41 Ų | 41 | 95.3 Ų | 95.3 | 42% | 0.423 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A83 P84 A90 | A83-G86 PolarHBondContact O-N 3.14Å; P84-G86 VanDerWaalsContact C-N 3.34Å; P84-G86 PolarHBondContact O-N 3.34Å; G86-A90 WeakPolarHBondContact O-CB 3.48Å; G86-A90 PolarHBondContact O-N 2.83Å |
| 87 | L | 73.9 | Confident | 69.4 | Low | 87 Ų | 87 | 95.3 Ų | 95.3 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.4 | -39.5 | 174.6 | -176.5 | 147.2 | 0 | 0 | 0 | 111.4 | L80 A90 L91 | L80-L87 HydrophobicContact CD2-CD1 4.1Å; L87-A90 PolarHBondContact O-N 3.18Å; L87-L91 HydrophobicContact CD2-CD1 3.67Å; L87-L91 HydrophobicContact CD2-CG 4.3Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.95Å |
| 88 | M | 79.6 | Confident | 69.6 | Low | 100 Ų | 100 | 96.9 Ų | 96.9 | 49% | 0.493 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.1 | -169.2 | 172.9 | 72.8 | 0 | 0 | 111.9 | P84 W85 L91 E92 | P84-M88 WeakPolarHBondContact O-CB 3.38Å; P84-M88 PolarHBondContact O-N 2.72Å; W85-M88 HydrophobicContact CD2-CE 4.47Å; W85-M88 HydrophobicContact CE3-CE 3.64Å; W85-M88 HydrophobicContact CH2-CE 4.47Å; W85-M88 HydrophobicContact CZ3-CE 3.64Å; W85-M88 PolarHBondContact O-N 3.43Å; M88-L91 PolarHBondContact O-N 3.17Å; M88-E92 WeakPolarHBondContact O-CB 3.31Å; M88-E92 PolarHBondContact O-N 3.31Å |
| 89 | Q | 77.4 | Confident | 69.9 | Low | 84 Ų | 84 | 100.6 Ų | 100.6 | 39% | 0.393 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.7 | -34.2 | 176.7 | -162 | 112.6 | 88.5 | 0 | 0 | 112.3 | W85 E92 Q93 | W85-Q89 VanDerWaalsContact O-CB 3.26Å; W85-Q89 WeakPolarHBondContact O-CB 3.47Å; W85-Q89 PolarHBondContact O-N 2.84Å; Q89-E92 PolarHBondContact NE2-OE2 3.44Å; Q89-E92 PolarHBondContact O-N 3.41Å; Q89-Q93 WeakPolarHBondContact O-CB 3.26Å; Q89-Q93 PolarHBondContact O-N 3.37Å |
| 90 | A | 76.6 | Confident | 70.2 | Confident | 50 Ų | 50 | 105.2 Ų | 105.2 | 41% | 0.413 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.7 | -40.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G86 L87 Q94 | G86-A90 WeakPolarHBondContact O-CB 3.48Å; G86-A90 PolarHBondContact O-N 2.83Å; L87-A90 PolarHBondContact O-N 3.18Å; A90-Q94 WeakPolarHBondContact O-CB 3.44Å; A90-Q94 VanDerWaalsContact O-CG 3.31Å; A90-Q94 WeakPolarHBondContact O-CG 3.49Å; A90-Q94 PolarHBondContact O-N 2.93Å |
| 91 | L | 82.8 | Confident | 70.3 | Confident | 93 Ų | 93 | 107.4 Ų | 107.4 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.7 | -37.4 | 173.3 | -71.3 | 176.1 | 0 | 0 | 0 | 112.3 | L87 M88 Q94 V95 | L87-L91 HydrophobicContact CD2-CD1 3.67Å; L87-L91 HydrophobicContact CD2-CG 4.3Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.95Å; M88-L91 PolarHBondContact O-N 3.17Å; L91-Q94 PolarHBondContact O-N 3.22Å; L91-V95 WeakPolarHBondContact O-CB 3.37Å; L91-V95 VanDerWaalsContact O-CG2 3.3Å; L91-V95 WeakPolarHBondContact O-CG2 3.42Å; L91-V95 PolarHBondContact O-N 3.3Å |
| 92 | E | 81.6 | Confident | 70.5 | Confident | 111 Ų | 111 | 106.9 Ų | 106.9 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.7 | -49.7 | 174.5 | -171.9 | 169.8 | -132.4 | 0 | 0 | 110.6 | M88 Q89 V95 E96 | M88-E92 WeakPolarHBondContact O-CB 3.31Å; M88-E92 PolarHBondContact O-N 3.31Å; Q89-E92 PolarHBondContact NE2-OE2 3.44Å; Q89-E92 PolarHBondContact O-N 3.41Å; E92-V95 PolarHBondContact O-N 2.92Å; E92-E96 PolarHBondContact O-N 3.14Å |
| 93 | Q | 80.7 | Confident | 70.6 | Confident | 100 Ų | 100 | 109.4 Ų | 109.4 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.9 | -45.7 | 172.8 | -171 | 69.1 | 63.7 | 0 | 0 | 111.9 | Q89 V95 E96 D97 | Q89-Q93 WeakPolarHBondContact O-CB 3.26Å; Q89-Q93 PolarHBondContact O-N 3.37Å; Q93-V95 PolarHBondContact O-N 2.81Å; Q93-E96 CarbonylContact O-C 3.59Å; Q93-E96 PolarHBondContact O-N 3.38Å; Q93-E96 VanDerWaalsContact O-N 3.09Å; Q93-D97 PolarHBondContact NE2-OD1 3.2Å; Q93-D97 WeakPolarHBondContact O-CB 3.23Å; Q93-D97 PolarHBondContact O-N 3.47Å |
| 94 | Q | 78.4 | Confident | 70 | Confident | 129 Ų | 129 | 114.2 Ų | 114.2 | 60% | 0.603 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.7 | -23.5 | 178.3 | -75.2 | -170.2 | -68.3 | 0 | 0 | 113.7 | A90 L91 L98 | A90-Q94 WeakPolarHBondContact O-CB 3.44Å; A90-Q94 VanDerWaalsContact O-CG 3.31Å; A90-Q94 WeakPolarHBondContact O-CG 3.49Å; A90-Q94 PolarHBondContact O-N 2.93Å; L91-Q94 PolarHBondContact O-N 3.22Å; Q94-L98 VanDerWaalsContact O-CB 3.25Å; Q94-L98 WeakPolarHBondContact O-CB 3.42Å; Q94-L98 PolarHBondContact O-N 3.13Å |
| 95 | V | 78.4 | Confident | 69.7 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -83.3 | -29.7 | 172.5 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | L91 E92 Q93 K99 | L91-V95 WeakPolarHBondContact O-CB 3.37Å; L91-V95 VanDerWaalsContact O-CG2 3.3Å; L91-V95 WeakPolarHBondContact O-CG2 3.42Å; L91-V95 PolarHBondContact O-N 3.3Å; E92-V95 PolarHBondContact O-N 2.92Å; Q93-V95 PolarHBondContact O-N 2.81Å; V95-K99 PolarHBondContact O-N 3.43Å |
| 96 | E | 74.2 | Confident | 68.9 | Low | 118 Ų | 118 | 111.7 Ų | 111.7 | 55% | 0.551 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.9 | -43 | 173.3 | -164.9 | 149.1 | -119.2 | 0 | 0 | 111.7 | E92 Q93 L98 K99 | E92-E96 PolarHBondContact O-N 3.14Å; Q93-E96 CarbonylContact O-C 3.59Å; Q93-E96 PolarHBondContact O-N 3.38Å; Q93-E96 VanDerWaalsContact O-N 3.09Å; E96-L98 PolarHBondContact O-N 3.47Å; E96-K99 WeakPolarHBondContact O-CB 3.34Å; E96-K99 PolarHBondContact O-N 3.29Å; E96-K99 VanDerWaalsContact O-N 3.16Å |
| 97 | D | 72.4 | Confident | 67.2 | Low | 115 Ų | 115 | 116.2 Ų | 116.2 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -27.4 | 173.1 | -63.2 | -10.5 | 0 | 0 | 0 | 112.6 | Q93 | Q93-D97 PolarHBondContact NE2-OD1 3.2Å; Q93-D97 WeakPolarHBondContact O-CB 3.23Å; Q93-D97 PolarHBondContact O-N 3.47Å |
| 98 | L | 70.1 | Confident | 65.6 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -6.8 | 178.2 | -153.3 | 77.2 | 0 | 0 | 0 | 113.1 | Q94 E96 I100 | Q94-L98 VanDerWaalsContact O-CB 3.25Å; Q94-L98 WeakPolarHBondContact O-CB 3.42Å; Q94-L98 PolarHBondContact O-N 3.13Å; E96-L98 PolarHBondContact O-N 3.47Å; L98-I100 PolarHBondContact O-N 3.35Å |
| 99 | K | 67.8 | Low | 63.9 | Low | 147 Ų | 147 | 120.2 Ų | 120.2 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -73.1 | 96.5 | 162.3 | -81.4 | 174.5 | 172.2 | 175.4 | 0 | 108.1 | V95 E96 D101 | V95-K99 PolarHBondContact O-N 3.43Å; E96-K99 WeakPolarHBondContact O-CB 3.34Å; E96-K99 PolarHBondContact O-N 3.29Å; E96-K99 VanDerWaalsContact O-N 3.16Å; K99-D101 PolarHBondContact O-N 3.3Å |
| 100 | I | 61.2 | Low | 62.1 | Low | 147 Ų | 147 | 121.2 Ų | 121.2 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | | | trans | -55.4 | 112.2 | 162.7 | -59.4 | 170.7 | 0 | 0 | 0 | 106.9 | L98 I102 | L98-I100 PolarHBondContact O-N 3.35Å; I100-I102 PolarHBondContact O-N 3.23Å |
| 101 | D | 55.9 | Low | 60.5 | Low | 135 Ų | 135 | 128.4 Ų | 128.4 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | | | trans | -73.8 | 121.4 | 176.3 | -154.3 | -14 | 0 | 0 | 0 | 108.5 | K99 | K99-D101 PolarHBondContact O-N 3.3Š|
| 102 | I | 60.3 | Low | 58.4 | Low | 152 Ų | 152 | 135.9 Ų | 135.9 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -92.6 | -11 | -170.6 | -70.4 | 172.6 | 0 | 0 | 0 | 111.2 | I100 | I100-I102 PolarHBondContact O-N 3.23Š|
| 103 | D | 55.6 | Low | 56.5 | Low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | | | trans | -108.1 | 8.2 | -168.8 | -105.4 | -77.1 | 0 | 0 | 0 | 115.4 | G105 | D103-G105 PolarHBondContact O-N 3.07Å; D103-G105 VanDerWaalsContact O-N 3.1Å |
| 104 | D | 46.8 | Very low | 54.8 | Low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | -83.9 | 79.2 | 169.2 | -164.6 | 21.9 | 0 | 0 | 0 | 111.6 | C106 | D104-C106 PolarHBondContact O-N 3.11Š|
| 105 | G | 50.4 | Low | 52.9 | Low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -81 | 103.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | D103 | D103-G105 PolarHBondContact O-N 3.07Å; D103-G105 VanDerWaalsContact O-N 3.1Å |
| 106 | C | 46.8 | Very low | 51.5 | Low | 116 Ų | 116 | 137 Ų | 137 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | trans | -140.1 | 104.5 | 166 | -168.6 | 0 | 0 | 0 | 0 | 113.3 | D104 | D104-C106 PolarHBondContact O-N 3.11Š|
| 107 | C | 39.9 | Very low | 50.2 | Low | 135 Ų | 135 | 136.9 Ų | 136.9 | 91% | 0.912 | 80% | 0.797 | S | S | * | * | | | trans | -149.5 | 111.3 | 153.9 | -122 | 0 | 0 | 0 | 0 | 109.4 | | |
| 108 | E | 41.4 | Very low | 49.6 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | | | trans | -68 | 158.5 | 179.3 | -167.7 | 173.2 | -173.1 | 0 | 0 | 111.7 | | |
| 109 | G | 42.7 | Very low | 48.7 | Very low | 80 Ų | 80 | 141.7 Ų | 141.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -69 | 142.5 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 110 | A | 40 | Very low | 47.7 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | | | trans | -131.4 | 121.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 111 | Q | 44 | Very low | 47.2 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | | | trans | -90.2 | 112.8 | -174.5 | 172.6 | -176 | -37.3 | 0 | 0 | 111.2 | | |
| 112 | R | 37.9 | Very low | 46.5 | Very low | 249 Ų | 249 | 136 Ų | 136 | 94% | 0.94 | 83% | 0.828 | S | S | * | * | | | trans | -150.1 | 132.3 | 154.8 | -146.7 | 169.7 | -173.8 | 172.4 | 1.7 | 116.7 | | |
| 113 | D | 42.7 | Very low | 45.6 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | | | trans | -59.1 | 165.1 | 176 | -179.2 | 34.2 | 0 | 0 | 0 | 117.5 | | |
| 114 | A | 43 | Very low | 45.1 | Very low | 86 Ų | 86 | 138.8 Ų | 138.8 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | | | trans | 75 | 138.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 115 | G | 40.3 | Very low | 45.1 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | | | trans | 89.1 | 85.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 116 | D | 48.3 | Very low | 45 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | | 54.6 | 104.1 | 76.7 | -167.8 | 24.3 | 0 | 0 | 0 | 116.3 | | |
| 117 | S | 47.4 | Very low | 44.9 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -173 | 101 | 144.9 | -84.4 | 0 | 0 | 0 | 0 | 111 | | |
| 118 | R | 58.8 | Low | 44.9 | Very low | 233 Ų | 233 | 138.9 Ų | 138.9 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | -94.3 | 142.9 | 161.8 | -79.6 | -177.6 | 170.3 | -174.5 | -2.6 | 110.4 | | |
| 119 | P | 51.8 | Low | 45 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -96.6 | 138.9 | 139.9 | 32.2 | -28.7 | 0 | 0 | 0 | 110.3 | | |
| 120 | S | 47.4 | Very low | 44.8 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -114.9 | 104.3 | -177 | 168 | 0 | 0 | 0 | 0 | 112 | | |
| 121 | S | 50.1 | Low | 44.7 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -166.6 | 136.4 | 160.5 | 56 | 0 | 0 | 0 | 0 | 109.9 | | |
| 122 | G | 40.2 | Very low | 44.9 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | cis | -165.3 | 127.5 | -11.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 123 | F | 43.3 | Very low | 45.1 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -83.8 | 131.2 | -174 | 175.8 | -90.3 | 0 | 0 | 0 | 111.3 | D125 | F123-D125 HydrophobicContact CE2-CB 4.22Å; F123-D125 HydrophobicContact CZ-CB 4.15Å |
| 124 | Y | 43.4 | Very low | 44.5 | Very low | 200 Ų | 200 | 129.9 Ų | 129.9 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | -159.2 | 105.9 | 130.3 | -118.8 | -77 | 0 | 0 | 0 | 111.2 | | |
| 125 | D | 46.9 | Very low | 44.4 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 57% | 0.567 | 79% | 0.789 | S | S | * | * | | | trans | -78.6 | 151 | 157.8 | 179.1 | 27.9 | 0 | 0 | 0 | 109.2 | F123 S127 | F123-D125 HydrophobicContact CE2-CB 4.22Å; F123-D125 HydrophobicContact CZ-CB 4.15Å; D125-S127 PolarHBondContact OD2-OG 3.04Å |
| 126 | S | 48.5 | Very low | 44.8 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | trans | -149.8 | 92.3 | 176.9 | -71.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 127 | S | 44.1 | Very low | 44 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 58% | 0.58 | 79% | 0.787 | S | S | * | * | | | trans | -83.8 | 155.8 | -165.3 | -23.1 | 0 | 0 | 0 | 0 | 113.4 | D125 | D125-S127 PolarHBondContact OD2-OG 3.04Š|
| 128 | E | 41.6 | Very low | 43.3 | Very low | 187 Ų | 187 | 136.1 Ų | 136.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | 59 | 89 | 131.9 | -159.1 | 160.7 | -150.5 | 0 | 0 | 120.6 | | |
| 129 | G | 43.6 | Very low | 42.1 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | | 48.2 | 127.4 | 124.7 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 130 | Q | 36.8 | Very low | 41.1 | Very low | 200 Ų | 200 | 132.1 Ų | 132.1 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | | | trans | -157.4 | 155.3 | 149.3 | -115.3 | 151.7 | 99.9 | 0 | 0 | 114.2 | | |
| 131 | S | 39.9 | Very low | 40.3 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -112.5 | 162.4 | 172.8 | -105.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 132 | P | 46.4 | Very low | 40.1 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | | -157.6 | 177.4 | 50.9 | 42.4 | -20 | 0 | 0 | 0 | 119.9 | | |
| 133 | K | 42.2 | Very low | 39.9 | Very low | 215 Ų | 215 | 139 Ų | 139 | 94% | 0.935 | 77% | 0.77 | S | S | * | * | | | trans | 23.8 | 126.7 | 150.8 | -67.3 | 178.1 | 179 | 172.2 | 0 | 122.2 | | |
| 134 | G | 31.7 | Very low | 40.4 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | -158.6 | 155.7 | 156 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 135 | K | 39.5 | Very low | 39.7 | Very low | 208 Ų | 208 | 133.3 Ų | 133.3 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | | | trans | -154.2 | -178.9 | 173.6 | -67.6 | -170.7 | 175 | -175.1 | 0 | 107.9 | | |
| 136 | P | 49.6 | Very low | 39 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | cis | -133.9 | 170.2 | -11.8 | 40 | -24.1 | 0 | 0 | 0 | 115.8 | | |
| 137 | S | 30.4 | Very low | 37.9 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | 174.9 | 129.6 | 138 | 30.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 138 | S | 33.9 | Very low | 37.3 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | | 81.8 | 129.9 | 78.5 | -139.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 139 | A | 33.6 | Very low | 36.8 | Very low | 78 Ų | 78 | 139 Ų | 139 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | | | cis | -150.4 | 158.2 | 7.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 140 | E | 31.1 | Very low | 36.2 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | | | trans | 52.8 | 161.4 | 147.9 | -70 | -172.1 | 115.6 | 0 | 0 | 125.8 | | |
| 141 | R | 29.3 | Very low | 36 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | | | trans | -118.6 | -175 | -179.8 | -122.1 | -165.1 | 159.4 | -177.6 | -8.1 | 107.2 | E143 | R141-E143 IonicContact CZ-OE1 3.88Å; R141-E143 IonicContact NH2-OE1 2.93Å; R141-E143 PolarHBondContact NH2-OE1 3.34Å |
| 142 | P | 46.9 | Very low | 35.7 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | cis | -133.8 | -178.1 | 11.9 | 36.6 | -14.5 | 0 | 0 | 0 | 116.8 | | |
| 143 | E | 34.9 | Very low | 35.1 | Very low | 136 Ų | 136 | 143 Ų | 143 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | trans | -81.5 | -168.1 | 167.3 | -44.6 | 166.5 | -149.1 | 0 | 0 | 110.8 | R141 | R141-E143 IonicContact CZ-OE1 3.88Å; R141-E143 IonicContact NH2-OE1 2.93Å; R141-E143 PolarHBondContact NH2-OE1 3.34Å |
| 144 | P | 55.1 | Low | 34.8 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | cis | -138.7 | -167.2 | -7.1 | 25.5 | 1.2 | 0 | 0 | 0 | 115.5 | | |
| 145 | V | 27.6 | Very low | 35.8 | Very low | 136 Ų | 136 | 143 Ų | 143 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | 117 | 124.4 | 144.9 | -173.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 146 | S | 32 | Very low | 35.9 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -47.8 | 146.4 | 169.5 | 154.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 147 | S | 26.7 | Very low | 35.1 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | -156.4 | 163.4 | 144.6 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 148 | W | 29.8 | Very low | 35.5 | Very low | 242 Ų | 242 | 142.5 Ų | 142.5 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | | | trans | -91.6 | 155.6 | -171.6 | -53.3 | -33.9 | 0 | 0 | 0 | 115.3 | | |
| 149 | T | 31.4 | Very low | 35.6 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | | 178.7 | 136.9 | 121.3 | 24.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 150 | Y | 30.6 | Very low | 35.5 | Very low | 188 Ų | 188 | 144 Ų | 144 | 74% | 0.737 | 77% | 0.765 | S | S | * | * | | | | 64.9 | 127.8 | 88.7 | -138.1 | -123.6 | 0 | 0 | 0 | 112.9 | N152 | Y150-N152 PolarHBondContact OH-ND2 3.48Å; Y150-N152 VanDerWaalsContact OH-ND2 3.14Å |
| 151 | T | 32.7 | Very low | 35.7 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | cis | -145.8 | 154.8 | 45.8 | 47.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 152 | N | 35.3 | Very low | 35.9 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | trans | -12.5 | 153.7 | 156.9 | -45.5 | -71.8 | 0 | 0 | 0 | 122.7 | Y150 | Y150-N152 PolarHBondContact OH-ND2 3.48Å; Y150-N152 VanDerWaalsContact OH-ND2 3.14Å |
| 153 | D | 32.8 | Very low | 35.5 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | | -149.1 | 162.8 | 120.3 | -141.4 | -29 | 0 | 0 | 0 | 112.6 | | |
| 154 | R | 36.2 | Very low | 35.6 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | | | trans | -160 | 145.9 | -168.8 | -166.2 | -136.1 | 178.2 | 178.2 | -1.2 | 115.5 | | |
| 155 | P | 52.4 | Low | 34.5 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | | | | -140.9 | 130.3 | 123.9 | 29.2 | -11.6 | 0 | 0 | 0 | 114.6 | | |
| 156 | K | 42.8 | Very low | 34.6 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | | 79.3 | 143.7 | 101.4 | -62.4 | 170 | -173 | 175.8 | 0 | 112.9 | | |
| 157 | S | 31.4 | Very low | 34.7 | Very low | 95 Ų | 95 | 149 Ų | 149 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | | | cis | -148.3 | 140.6 | 9.9 | -150.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 158 | L | 39.5 | Very low | 34.9 | Very low | 159 Ų | 159 | 151.4 Ų | 151.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | | 35.8 | 136.2 | 101.7 | -53.5 | 167.6 | 0 | 0 | 0 | 114.8 | | |
| 159 | G | 35 | Very low | 35.1 | Very low | 75 Ų | 75 | 146.1 Ų | 146.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | cis | 138.6 | 162.7 | 23.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 160 | D | 31.3 | Very low | 35.7 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | cis | -159.6 | 176.4 | 2 | -159.7 | -9.8 | 0 | 0 | 0 | 109.1 | | |
| 161 | N | 36.6 | Very low | 36.1 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -82.6 | 148.6 | 176.7 | -85.3 | -30.6 | 0 | 0 | 0 | 113.5 | | |
| 162 | F | 34 | Very low | 36.1 | Very low | 200 Ų | 200 | 142.8 Ų | 142.8 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | -137.1 | 142 | 156.6 | -91.9 | -83.2 | 0 | 0 | 0 | 112.1 | | |
| 163 | M | 37.8 | Very low | 36.3 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | trans | -112.2 | 142.2 | 172.7 | -68.8 | -98.8 | 84.1 | 0 | 0 | 109.3 | | |
| 164 | L | 37.6 | Very low | 36.3 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | | | trans | -149.1 | 148.7 | 156.5 | -143.9 | 76.5 | 0 | 0 | 0 | 111.7 | | |
| 165 | N | 31 | Very low | 36.6 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | -56.4 | 162.7 | -171.7 | -49 | -30.2 | 0 | 0 | 0 | 115.5 | | |
| 166 | G | 30.4 | Very low | 35.7 | Very low | 74 Ų | 74 | 145.8 Ų | 145.8 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | 177.1 | 8.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 125.1 | | |
| 167 | E | 33.1 | Very low | 35.5 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | trans | 64 | 157.1 | 164.4 | -125.1 | 177.2 | 140.1 | 0 | 0 | 120.3 | | |
| 168 | F | 32.2 | Very low | 35.9 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 75% | 0.746 | 81% | 0.809 | S | S | * | * | | | trans | 57.4 | 141.2 | 174.3 | -80.5 | -101.5 | 0 | 0 | 0 | 118.6 | | |
| 169 | D | 33.9 | Very low | 35.9 | Very low | 131 Ų | 131 | 150.2 Ų | 150.2 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | | | cis | -148 | 171.2 | -6.2 | -156.2 | -7 | 0 | 0 | 0 | 110.9 | | |
| 170 | V | 42.7 | Very low | 36.2 | Very low | 125 Ų | 125 | 151.7 Ų | 151.7 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | | | trans | -107.5 | 133.1 | -170.6 | 175.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 171 | P | 40 | Very low | 36.5 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | | | trans | -126 | 103.5 | 153 | 31.5 | -16.9 | 0 | 0 | 0 | 114.4 | | |
| 172 | V | 32.4 | Very low | 36.7 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 76% | 0.758 | 81% | 0.814 | S | S | * | * | | | trans | 30.7 | 105.5 | 137.4 | -170.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 173 | I | 39.2 | Very low | 37.1 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | trans | -80.8 | 118.7 | 162.4 | -59.4 | 168 | 0 | 0 | 0 | 110.3 | | |
| 174 | R | 33.8 | Very low | 37.7 | Very low | 230 Ų | 230 | 144.8 Ų | 144.8 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -149.7 | 159 | 154.5 | -80.9 | -142.8 | 172.5 | -175.7 | -0.3 | 112 | | |
| 175 | P | 41.5 | Very low | 37.8 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 155.2 | -143.5 | 37.6 | -36.6 | 0 | 0 | 0 | 116.3 | | |
| 176 | S | 34.2 | Very low | 38.8 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 152.3 | 163.5 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 177 | L | 38.4 | Very low | 39.5 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 156.8 | 177 | -89.7 | 74.7 | 0 | 0 | 0 | 111.5 | R179 | L177-R179 PolarHBondContact O-N 3.11Š|
| 178 | P | 40.3 | Very low | 40.3 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 125.4 | 179.5 | 26.8 | -34.9 | 0 | 0 | 0 | 111.7 | | |
| 179 | R | 38.6 | Very low | 40.9 | Very low | 234 Ų | 234 | 143.3 Ų | 143.3 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 139.8 | 169.1 | -165.9 | 173.7 | -177.9 | 98.4 | -3.8 | 109.2 | L177 | L177-R179 PolarHBondContact O-N 3.11Š|
| 180 | S | 40.4 | Very low | 41.7 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 144 | 179.6 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | S182 | S180-S182 PolarHBondContact O-N 2.73Š|
| 181 | F | 38 | Very low | 41.9 | Very low | 210 Ų | 210 | 143 Ų | 143 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121.4 | 178.2 | -72.5 | -96.6 | 0 | 0 | 0 | 112 | | |
| 182 | S | 41.8 | Very low | 42 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -110.7 | 150.5 | 151.1 | -62.2 | 0 | 0 | 0 | 0 | 107.6 | S180 | S180-S182 PolarHBondContact O-N 2.73Š|
| 183 | A | 42.8 | Very low | 42.8 | Very low | 80 Ų | 80 | 147 Ų | 147 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 146.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 184 | P | 48.6 | Very low | 42.9 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 137.8 | 174 | -17.4 | 30.6 | 0 | 0 | 0 | 111 | | |
| 185 | H | 40.1 | Very low | 42.9 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 147.3 | 160.5 | -68.8 | 26.5 | 0 | 0 | 0 | 108.4 | | |
| 186 | P | 51.8 | Low | 43 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67 | 148.3 | 171 | 30.3 | -34.4 | 0 | 0 | 0 | 110.3 | | |
| 187 | P | 45 | Very low | 43.1 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 145 | 171.5 | 30.7 | -34.5 | 0 | 0 | 0 | 110.5 | | |
| 188 | L | 50.3 | Low | 43.8 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | | | trans | -103.2 | 78 | 170.1 | -73.6 | 170.3 | 0 | 0 | 0 | 108.9 | G190 | L188-G190 PolarHBondContact O-N 3.04Š|
| 189 | E | 45.4 | Very low | 43.5 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -60.2 | 123.1 | 159.4 | -92.9 | 77.2 | -161.6 | 0 | 0 | 109.5 | | |
| 190 | G | 49.7 | Very low | 43.3 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | 131.2 | 29.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | L188 | L188-G190 PolarHBondContact O-N 3.04Š|
| 191 | I | 46.7 | Very low | 43 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -129.9 | 137.7 | 157.5 | -41.3 | 179 | 0 | 0 | 0 | 108.5 | | |
| 192 | V | 42.7 | Very low | 42.8 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | -86.7 | 155.9 | -170.5 | 77.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 193 | E | 49.9 | Very low | 42.6 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | | | trans | -68.2 | 129.8 | 169.4 | -71.5 | -174.8 | 109.9 | 0 | 0 | 111.8 | | |
| 194 | E | 41.1 | Very low | 42.1 | Very low | 196 Ų | 196 | 143 Ų | 143 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | trans | -151.1 | 147.6 | 154 | -171 | 166.6 | -147.3 | 0 | 0 | 110.3 | | |
| 195 | G | 33.8 | Very low | 41.9 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | 83 | 81 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | V197 | G195-V197 PolarHBondContact O-N 2.85Š|
| 196 | S | 44.1 | Very low | 42.3 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 88% | 0.881 | 76% | 0.756 | S | S | * | * | | | trans | -72.6 | 107 | 166.1 | 172.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 197 | V | 36.2 | Very low | 41.8 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -138.9 | 129.6 | 143.9 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | G195 D199 | G195-V197 PolarHBondContact O-N 2.85Å; V197-D199 PolarHBondContact O-N 3.24Å |
| 198 | G | 51.9 | Low | 41.7 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -77.1 | 111.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 199 | D | 34.6 | Very low | 41.4 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 57% | 0.572 | 72% | 0.723 | S | S | * | * | | | trans | -94.1 | 143 | 172.6 | -147 | -27.9 | 0 | 0 | 0 | 112.1 | V197 R202 | V197-D199 PolarHBondContact O-N 3.24Å; D199-R202 VanDerWaalsContact CG-NH2 3.28Å; D199-R202 IonicContact OD1-CZ 2.72Å; D199-R202 IonicContact OD1-NE 3.16Å; D199-R202 PolarHBondContact OD1-NE 3.31Å; D199-R202 IonicContact OD1-NH2 3.4Å; D199-R202 PolarHBondContact OD1-NH2 2.96Å; D199-R202 IonicContact OD2-CZ 3.61Å; D199-R202 IonicContact OD2-NE 3.49Å; D199-R202 PolarHBondContact OD2-NE 3.19Å; D199-R202 IonicContact OD2-NH2 3.19Å; D199-R202 PolarHBondContact OD2-NH2 3.26Å |
| 200 | S | 34.9 | Very low | 41.1 | Very low | 91 Ų | 91 | 128 Ų | 128 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | | | trans | -70.1 | 154.4 | 174.5 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | R202 | S200-R202 PolarHBondContact O-N 3.33Š|
| 201 | W | 33.3 | Very low | 40.6 | Very low | 254 Ų | 254 | 129.7 Ų | 129.7 | 96% | 0.962 | 72% | 0.715 | S | S | * | * | | | trans | -71.4 | 71.7 | 166.1 | -71.8 | 91.3 | 0 | 0 | 0 | 110 | | |
| 202 | R | 33.9 | Very low | 40.3 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 60% | 0.6 | 71% | 0.707 | S | S | * | * | | | trans | -71.4 | 129.1 | 169.2 | 58.2 | -178.1 | 75.4 | -158 | 9.7 | 108.6 | D199 S200 D204 | D199-R202 VanDerWaalsContact CG-NH2 3.28Å; D199-R202 IonicContact OD1-CZ 2.72Å; D199-R202 IonicContact OD1-NE 3.16Å; D199-R202 PolarHBondContact OD1-NE 3.31Å; D199-R202 IonicContact OD1-NH2 3.4Å; D199-R202 PolarHBondContact OD1-NH2 2.96Å; D199-R202 IonicContact OD2-CZ 3.61Å; D199-R202 IonicContact OD2-NE 3.49Å; D199-R202 PolarHBondContact OD2-NE 3.19Å; D199-R202 IonicContact OD2-NH2 3.19Å; D199-R202 PolarHBondContact OD2-NH2 3.26Å; S200-R202 PolarHBondContact O-N 3.33Å; R202-D204 PolarHBondContact O-N 3.49Å |
| 203 | W | 38.2 | Very low | 40.2 | Very low | 239 Ų | 239 | 131.6 Ų | 131.6 | 91% | 0.905 | 70% | 0.703 | S | S | * | * | | | trans | -72.4 | 123.3 | 167.3 | -62.2 | 105.7 | 0 | 0 | 0 | 107.9 | T205 | W203-T205 VanDerWaalsContact C-N 3.28Å; W203-T205 PolarHBondContact O-N 2.72Å; W203-T205 PolarHBondContact O-OG1 2.94Å |
| 204 | D | 32.7 | Very low | 39.9 | Very low | 119 Ų | 119 | 131 Ų | 131 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | | | trans | -78.7 | 76.9 | -177.3 | -112.6 | -51.7 | 0 | 0 | 0 | 111.7 | R202 S206 | R202-D204 PolarHBondContact O-N 3.49Å; D204-S206 PolarHBondContact O-N 3.11Å; D204-S206 VanDerWaalsContact O-N 3.1Å; D204-S206 WeakPolarHBondContact OD1-CB 3.4Å; D204-S206 PolarHBondContact OD1-OG 3.13Å |
| 205 | T | 43.8 | Very low | 39.8 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 59% | 0.589 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -0.5 | 169.6 | -37.1 | 0 | 0 | 0 | 0 | 112.2 | W203 A208 S209 | W203-T205 VanDerWaalsContact C-N 3.28Å; W203-T205 PolarHBondContact O-N 2.72Å; W203-T205 PolarHBondContact O-OG1 2.94Å; T205-A208 PolarHBondContact O-N 2.73Å; T205-S209 PolarHBondContact O-N 2.79Å; T205-S209 VanDerWaalsContact O-N 3.16Å; T205-S209 PolarHBondContact O-OG 3.08Å |
| 206 | S | 48.4 | Very low | 40.1 | Very low | 54 Ų | 54 | 134.7 Ų | 134.7 | 38% | 0.378 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65 | -51.3 | -176.7 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | D204 A208 S209 | D204-S206 PolarHBondContact O-N 3.11Å; D204-S206 VanDerWaalsContact O-N 3.1Å; D204-S206 WeakPolarHBondContact OD1-CB 3.4Å; D204-S206 PolarHBondContact OD1-OG 3.13Å; S206-A208 PolarHBondContact O-N 3.37Å; S206-S209 WeakPolarHBondContact O-CB 3.45Å; S206-S209 PolarHBondContact O-N 2.87Å |
| 207 | V | 41.9 | Very low | 40.1 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 76% | 0.758 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -29.2 | 179.2 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | S209 | V207-S209 VanDerWaalsContact C-N 3.31Š|
| 208 | A | 42.9 | Very low | 40.7 | Very low | 55 Ų | 55 | 130 Ų | 130 | 46% | 0.455 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | -3.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | T205 S206 | T205-A208 PolarHBondContact O-N 2.73Å; S206-A208 PolarHBondContact O-N 3.37Å |
| 209 | S | 42.8 | Very low | 40.7 | Very low | 50 Ų | 50 | 134.6 Ų | 134.6 | 35% | 0.35 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92 | -32.3 | -179.3 | -65.6 | 0 | 0 | 0 | 0 | 113.4 | T205 S206 V207 | T205-S209 PolarHBondContact O-N 2.79Å; T205-S209 VanDerWaalsContact O-N 3.16Å; T205-S209 PolarHBondContact O-OG 3.08Å; S206-S209 WeakPolarHBondContact O-CB 3.45Å; S206-S209 PolarHBondContact O-N 2.87Å; V207-S209 VanDerWaalsContact C-N 3.31Å |
| 210 | H | 39.9 | Very low | 41.9 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -22.6 | -171.7 | -88.6 | -63.5 | 0 | 0 | 0 | 115.4 | | |
| 211 | T | 39.2 | Very low | 43.4 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -15.5 | 175 | 44.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 212 | W | 40.6 | Very low | 45.2 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 72% | 0.723 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -3.7 | -176.8 | -70.4 | 84.9 | 0 | 0 | 0 | 114.1 | | |
| 213 | Q | 40.2 | Very low | 47.6 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 72% | 0.724 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -86.8 | -5.4 | 177.8 | -78.8 | -175.6 | -11.7 | 0 | 0 | 114.9 | | |
| 214 | Q | 43.6 | Very low | 49.7 | Very low | 181 Ų | 181 | 121.9 Ų | 121.9 | 85% | 0.846 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -113.8 | 11.8 | 177.7 | -150.5 | 171.2 | 14.8 | 0 | 0 | 114.6 | | |
| 215 | Q | 39.6 | Very low | 52.3 | Low | 153 Ų | 153 | 121.9 Ų | 121.9 | 72% | 0.715 | 64% | 0.637 | S | S | * | * | | | trans | -135.6 | 109.5 | 159.5 | -131 | 107.4 | 10.6 | 0 | 0 | 108.4 | P217 | Q215-P217 WeakPolarHBondContact O-CD 3.43Š|
| 216 | Q | 40.1 | Very low | 54.5 | Low | 194 Ų | 194 | 121.3 Ų | 121.3 | 91% | 0.907 | 63% | 0.63 | S | S | * | * | | | trans | -82.7 | 105.1 | 146.7 | -78.9 | -165.2 | -36.2 | 0 | 0 | 106.5 | | |
| 217 | P | 44 | Very low | 56.5 | Low | 80 Ų | 80 | 124.6 Ų | 124.6 | 52% | 0.519 | 64% | 0.635 | S | S | . | * | | | trans | -57.3 | 160.8 | 141.2 | 31.8 | -34.3 | 0 | 0 | 0 | 108.1 | Q215 | Q215-P217 WeakPolarHBondContact O-CD 3.43Š|
| 218 | A | 48.7 | Very low | 59 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 69% | 0.694 | 62% | 0.617 | S | S | * | * | | | trans | -57.5 | 164.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | D220 | A218-D220 VanDerWaalsContact C-N 3.34Å; A218-D220 PolarHBondContact O-N 2.95Å |
| 219 | E | 51 | Low | 61.3 | Low | 174 Ų | 174 | 124.4 Ų | 124.4 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | | | trans | -60.9 | 101.9 | 166.9 | -67.2 | -173.7 | 173.6 | 0 | 0 | 108.6 | Q221 | E219-Q221 PolarHBondContact O-N 2.92Š|
| 220 | D | 61.3 | Low | 63.8 | Low | 143 Ų | 143 | 124.5 Ų | 124.5 | 77% | 0.765 | 62% | 0.621 | S | S | * | * | | | trans | -64.8 | 81.8 | 165.6 | -81.5 | -27.3 | 0 | 0 | 0 | 107 | A218 I222 | A218-D220 VanDerWaalsContact C-N 3.34Å; A218-D220 PolarHBondContact O-N 2.95Å; D220-I222 PolarHBondContact O-N 3.4Å |
| 221 | Q | 64.7 | Low | 66.3 | Low | 156 Ų | 156 | 124 Ų | 124 | 73% | 0.729 | 62% | 0.616 | S | S | * | * | | | trans | -58.3 | 99.6 | 175.3 | -75.3 | 164.9 | 79.6 | 0 | 0 | 107.6 | E219 T223 | E219-Q221 PolarHBondContact O-N 2.92Å; Q221-T223 VanDerWaalsContact O-CG2 3.24Å; Q221-T223 WeakPolarHBondContact O-CG2 3.11Å; Q221-T223 PolarHBondContact O-N 3.34Å |
| 222 | I | 72.8 | Confident | 68.9 | Low | 112 Ų | 112 | 124.7 Ų | 124.7 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | | | trans | -48.6 | 110.3 | 178.4 | -60.7 | 173.9 | 0 | 0 | 0 | 107.7 | D220 D226 Y227 | D220-I222 PolarHBondContact O-N 3.4Å; I222-D226 HydrophobicContact CG2-CB 4Å; I222-Y227 HydrophobicContact CB-CE2 4.18Å; I222-Y227 HydrophobicContact CG2-CD2 4.07Å; I222-Y227 HydrophobicContact CG2-CE1 4.38Å; I222-Y227 HydrophobicContact CG2-CE2 3.57Å |
| 223 | T | 83.7 | Confident | 71.5 | Confident | 56 Ų | 56 | 118.8 Ų | 118.8 | 34% | 0.344 | 59% | 0.591 | S | S | . | * | | | trans | -77.2 | 158.8 | -164.6 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | Q221 E225 D226 Y227 | Q221-T223 VanDerWaalsContact O-CG2 3.24Å; Q221-T223 WeakPolarHBondContact O-CG2 3.11Å; Q221-T223 PolarHBondContact O-N 3.34Å; T223-E225 WeakPolarHBondContact CB-OE2 3.09Å; T223-E225 PolarHBondContact O-N 3.13Å; T223-D226 WeakPolarHBondContact CB-OD2 3.22Å; T223-D226 PolarHBondContact N-OD2 2.93Å; T223-D226 WeakPolarHBondContact O-CB 3.29Å; T223-D226 PolarHBondContact O-N 3.15Å; T223-D226 PolarHBondContact OG1-N 3.46Å; T223-D226 PolarHBondContact OG1-OD2 2.87Å; T223-Y227 VanDerWaalsContact O-CD2 3.26Å; T223-Y227 WeakPolarHBondContact O-CD2 3.25Å; T223-Y227 PolarHBondContact O-N 3.22Å; T223-Y227 VanDerWaalsContact O-N 3.11Å |
| 224 | E | 82.8 | Confident | 74.1 | Confident | 115 Ų | 115 | 116.2 Ų | 116.2 | 54% | 0.537 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.7 | -32.9 | 171.1 | 172.9 | 57.3 | -148.1 | 0 | 0 | 110 | D226 Y227 Q228 | E224-D226 PolarHBondContact O-N 3.12Å; E224-Y227 PolarHBondContact O-N 3.41Å; E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 VanDerWaalsContact O-CG 3.25Å; E224-Q228 WeakPolarHBondContact O-CG 3.37Å; E224-Q228 PolarHBondContact O-N 3.37Å; E224-Q228 PolarHBondContact OE1-NE2 3.05Å |
| 225 | E | 85.8 | Confident | 76.6 | Confident | 120 Ų | 120 | 109.5 Ų | 109.5 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.7 | -38 | 172.5 | -67.1 | 66.6 | -155 | 0 | 0 | 112.9 | T223 Q229 R232 | T223-E225 WeakPolarHBondContact CB-OE2 3.09Å; T223-E225 PolarHBondContact O-N 3.13Å; E225-Q229 VanDerWaalsContact O-CB 3.32Å; E225-Q229 WeakPolarHBondContact O-CB 3.18Å; E225-Q229 PolarHBondContact O-N 3.04Å; E225-R232 PolarHBondContact O-NH2 3.18Å |
| 226 | D | 90.6 | Very high | 79.3 | Confident | 84 Ų | 84 | 108.8 Ų | 108.8 | 45% | 0.449 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.5 | -44.2 | 174.9 | -66.5 | -52.4 | 0 | 0 | 0 | 111.9 | I222 T223 E224 Q228 Q229 A230 | I222-D226 HydrophobicContact CG2-CB 4Å; T223-D226 WeakPolarHBondContact CB-OD2 3.22Å; T223-D226 PolarHBondContact N-OD2 2.93Å; T223-D226 WeakPolarHBondContact O-CB 3.29Å; T223-D226 PolarHBondContact O-N 3.15Å; T223-D226 PolarHBondContact OG1-N 3.46Å; T223-D226 PolarHBondContact OG1-OD2 2.87Å; E224-D226 PolarHBondContact O-N 3.12Å; D226-Q228 VanDerWaalsContact C-N 3.32Å; D226-Q228 PolarHBondContact O-N 3.22Å; D226-Q229 CarbonylContact O-C 3.59Å; D226-Q229 WeakPolarHBondContact O-CA 3.45Å; D226-Q229 WeakPolarHBondContact O-CB 3.33Å; D226-Q229 PolarHBondContact O-N 3.29Å; D226-Q229 VanDerWaalsContact O-N 3.09Å; D226-A230 PolarHBondContact O-N 3.46Å |
| 227 | Y | 90.4 | Very high | 82 | Confident | 122 Ų | 122 | 104 Ų | 104 | 48% | 0.478 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 173.4 | -74.7 | -71.4 | 0 | 0 | 0 | 111.1 | I222 T223 E224 Q229 A230 F231 | I222-Y227 HydrophobicContact CB-CE2 4.18Å; I222-Y227 HydrophobicContact CG2-CD2 4.07Å; I222-Y227 HydrophobicContact CG2-CE1 4.38Å; I222-Y227 HydrophobicContact CG2-CE2 3.57Å; T223-Y227 VanDerWaalsContact O-CD2 3.26Å; T223-Y227 WeakPolarHBondContact O-CD2 3.25Å; T223-Y227 PolarHBondContact O-N 3.22Å; T223-Y227 VanDerWaalsContact O-N 3.11Å; E224-Y227 PolarHBondContact O-N 3.41Å; Y227-Q229 VanDerWaalsContact C-N 3.29Å; Y227-Q229 PolarHBondContact O-N 3.06Å; Y227-A230 WeakPolarHBondContact O-CB 3.41Å; Y227-A230 PolarHBondContact O-N 2.87Å; Y227-F231 WeakPolarHBondContact O-CD2 3.44Å; Y227-F231 PolarHBondContact O-N 2.87Å |
| 228 | Q | 93.6 | Very high | 84.4 | Confident | 81 Ų | 81 | 105.5 Ų | 105.5 | 38% | 0.379 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -32 | 174.2 | -67.5 | 175.6 | 25.1 | 0 | 0 | 112.4 | E224 D226 F231 R232 | E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 VanDerWaalsContact O-CG 3.25Å; E224-Q228 WeakPolarHBondContact O-CG 3.37Å; E224-Q228 PolarHBondContact O-N 3.37Å; E224-Q228 PolarHBondContact OE1-NE2 3.05Å; D226-Q228 VanDerWaalsContact C-N 3.32Å; D226-Q228 PolarHBondContact O-N 3.22Å; Q228-F231 PolarHBondContact O-N 2.81Å; Q228-R232 WeakPolarHBondContact O-CB 3.3Å; Q228-R232 VanDerWaalsContact O-CG 3.28Å; Q228-R232 WeakPolarHBondContact O-CG 3.45Å; Q228-R232 PolarHBondContact O-N 2.76Å |
| 229 | Q | 92.8 | Very high | 86.4 | Confident | 96 Ų | 96 | 103.8 Ų | 103.8 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 174.2 | -172.5 | 65.9 | -4.6 | 0 | 0 | 111.4 | E225 D226 Y227 R232 V233 | E225-Q229 VanDerWaalsContact O-CB 3.32Å; E225-Q229 WeakPolarHBondContact O-CB 3.18Å; E225-Q229 PolarHBondContact O-N 3.04Å; D226-Q229 CarbonylContact O-C 3.59Å; D226-Q229 WeakPolarHBondContact O-CA 3.45Å; D226-Q229 WeakPolarHBondContact O-CB 3.33Å; D226-Q229 PolarHBondContact O-N 3.29Å; D226-Q229 VanDerWaalsContact O-N 3.09Å; Y227-Q229 VanDerWaalsContact C-N 3.29Å; Y227-Q229 PolarHBondContact O-N 3.06Å; Q229-R232 VanDerWaalsContact CA-NH2 3.35Å; Q229-R232 PolarHBondContact O-N 3.5Å; Q229-R232 VanDerWaalsContact OE1-CZ 3.3Å; Q229-V233 WeakPolarHBondContact O-CG2 3.37Å; Q229-V233 PolarHBondContact O-N 2.8Å |
| 230 | A | 93.6 | Very high | 88.5 | Confident | 52 Ų | 52 | 98.1 Ų | 98.1 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58 | -49.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | D226 Y227 R232 V233 E234 | D226-A230 PolarHBondContact O-N 3.46Å; Y227-A230 WeakPolarHBondContact O-CB 3.41Å; Y227-A230 PolarHBondContact O-N 2.87Å; A230-R232 VanDerWaalsContact C-N 3.33Å; A230-R232 PolarHBondContact O-N 2.89Å; A230-V233 CarbonylContact O-C 3.57Å; A230-V233 PolarHBondContact O-N 2.86Å; A230-V233 VanDerWaalsContact O-N 3.11Å; A230-E234 WeakPolarHBondContact O-CG 3.49Å; A230-E234 PolarHBondContact O-N 3.04Å |
| 231 | F | 93.6 | Very high | 90 | Very high | 144 Ų | 144 | 96.5 Ų | 96.5 | 63% | 0.632 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.2 | -35.2 | 175.7 | -73.8 | -57.9 | 0 | 0 | 0 | 113.6 | Y227 Q228 G235 | Y227-F231 WeakPolarHBondContact O-CD2 3.44Å; Y227-F231 PolarHBondContact O-N 2.87Å; Q228-F231 PolarHBondContact O-N 2.81Å; F231-G235 PolarHBondContact O-N 3.09Å |
| 232 | R | 94.2 | Very high | 91.2 | Very high | 126 Ų | 126 | 95 Ų | 95 | 48% | 0.475 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 172.2 | -75.6 | -178.4 | -64.6 | -99.8 | 2.2 | 111.6 | E225 Q228 Q229 A230 Y236 | E225-R232 PolarHBondContact O-NH2 3.18Å; Q228-R232 WeakPolarHBondContact O-CB 3.3Å; Q228-R232 VanDerWaalsContact O-CG 3.28Å; Q228-R232 WeakPolarHBondContact O-CG 3.45Å; Q228-R232 PolarHBondContact O-N 2.76Å; Q229-R232 VanDerWaalsContact CA-NH2 3.35Å; Q229-R232 PolarHBondContact O-N 3.5Å; Q229-R232 VanDerWaalsContact OE1-CZ 3.3Å; A230-R232 VanDerWaalsContact C-N 3.33Å; A230-R232 PolarHBondContact O-N 2.89Å; R232-Y236 WeakPolarHBondContact O-CB 3.37Å; R232-Y236 PolarHBondContact O-N 3.35Å |
| 233 | V | 95.4 | Very high | 91.8 | Very high | 66 Ų | 66 | 95.2 Ų | 95.2 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.1 | -42.9 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | Q229 A230 Y236 M237 | Q229-V233 WeakPolarHBondContact O-CG2 3.37Å; Q229-V233 PolarHBondContact O-N 2.8Å; A230-V233 CarbonylContact O-C 3.57Å; A230-V233 PolarHBondContact O-N 2.86Å; A230-V233 VanDerWaalsContact O-N 3.11Å; V233-Y236 WeakPolarHBondContact O-CB 3.34Å; V233-Y236 PolarHBondContact O-N 3.35Å; V233-M237 HydrophobicContact CG1-CE 4.23Å; V233-M237 HydrophobicContact CG1-CG 4.46Å; V233-M237 WeakPolarHBondContact O-CG 3.47Å; V233-M237 PolarHBondContact O-N 3.03Å |
| 234 | E | 94.9 | Very high | 91.5 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 172.9 | -73.2 | -167.1 | 156.3 | 0 | 0 | 111.8 | A230 Y236 M237 L238 | A230-E234 WeakPolarHBondContact O-CG 3.49Å; A230-E234 PolarHBondContact O-N 3.04Å; E234-Y236 VanDerWaalsContact C-N 3.3Å; E234-Y236 PolarHBondContact O-N 3.06Å; E234-M237 HydrophobicContact CG-CE 4.19Å; E234-M237 PolarHBondContact O-N 2.98Å; E234-L238 WeakPolarHBondContact O-CB 3.45Å; E234-L238 WeakPolarHBondContact O-CG 3.45Å; E234-L238 PolarHBondContact O-N 3.28Å |
| 235 | G | 95.8 | Very high | 91.4 | Very high | 40 Ų | 40 | 98.6 Ų | 98.6 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F231 S239 | F231-G235 PolarHBondContact O-N 3.09Å; G235-S239 WeakPolarHBondContact O-CB 3.43Å; G235-S239 PolarHBondContact O-N 3.1Å |
| 236 | Y | 95.4 | Very high | 90.3 | Very high | 139 Ų | 139 | 99 Ų | 99 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 172.8 | 176.9 | -98.1 | 0 | 0 | 0 | 112.2 | R232 V233 E234 S239 L240 | R232-Y236 WeakPolarHBondContact O-CB 3.37Å; R232-Y236 PolarHBondContact O-N 3.35Å; V233-Y236 WeakPolarHBondContact O-CB 3.34Å; V233-Y236 PolarHBondContact O-N 3.35Å; E234-Y236 VanDerWaalsContact C-N 3.3Å; E234-Y236 PolarHBondContact O-N 3.06Å; Y236-S239 PolarHBondContact O-N 2.82Å; Y236-L240 HydrophobicContact CE1-CD2 4.21Å; Y236-L240 VanDerWaalsContact O-CB 3.3Å; Y236-L240 WeakPolarHBondContact O-CB 3.26Å; Y236-L240 PolarHBondContact O-N 3.09Å |
| 237 | M | 96.2 | Very high | 88.5 | Confident | 92 Ų | 92 | 99.9 Ų | 99.9 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 177.6 | -73.4 | -167.8 | -62.7 | 0 | 0 | 111.9 | V233 E234 S239 L240 I241 | V233-M237 HydrophobicContact CG1-CE 4.23Å; V233-M237 HydrophobicContact CG1-CG 4.46Å; V233-M237 WeakPolarHBondContact O-CG 3.47Å; V233-M237 PolarHBondContact O-N 3.03Å; E234-M237 HydrophobicContact CG-CE 4.19Å; E234-M237 PolarHBondContact O-N 2.98Å; M237-S239 PolarHBondContact O-N 2.65Å; M237-L240 WeakPolarHBondContact O-CB 3.44Å; M237-L240 PolarHBondContact O-N 3.42Å; M237-L240 VanDerWaalsContact O-N 3.15Å; M237-I241 WeakPolarHBondContact O-CB 3.22Å; M237-I241 VanDerWaalsContact O-CG1 3.26Å; M237-I241 WeakPolarHBondContact O-CG1 3.38Å; M237-I241 PolarHBondContact O-N 3.07Å |
| 238 | L | 95.4 | Very high | 86.7 | Confident | 113 Ų | 113 | 98.8 Ų | 98.8 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 176.6 | -70.7 | 171.2 | 0 | 0 | 0 | 111.4 | E234 L240 I241 Q242 | E234-L238 WeakPolarHBondContact O-CB 3.45Å; E234-L238 WeakPolarHBondContact O-CG 3.45Å; E234-L238 PolarHBondContact O-N 3.28Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 2.77Å; L238-I241 PolarHBondContact O-N 3.26Å; L238-Q242 VanDerWaalsContact O-CB 3.23Å; L238-Q242 WeakPolarHBondContact O-CB 3.43Å; L238-Q242 PolarHBondContact O-N 3.26Å |
| 239 | S | 91.6 | Very high | 84.6 | Confident | 48 Ų | 48 | 105.4 Ų | 105.4 | 34% | 0.336 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 172.5 | 175 | 0 | 0 | 0 | 0 | 112.5 | G235 Y236 M237 R243 | G235-S239 WeakPolarHBondContact O-CB 3.43Å; G235-S239 PolarHBondContact O-N 3.1Å; Y236-S239 PolarHBondContact O-N 2.82Å; M237-S239 PolarHBondContact O-N 2.65Å; S239-R243 WeakPolarHBondContact O-CB 3.24Å; S239-R243 VanDerWaalsContact O-CG 3.27Å; S239-R243 WeakPolarHBondContact O-CG 3.31Å; S239-R243 PolarHBondContact O-N 3Å; S239-R243 PolarHBondContact O-NE 2.86Å; S239-R243 PolarHBondContact OG-NE 3.01Å; S239-R243 PolarHBondContact OG-NH2 3.03Å |
| 240 | L | 93.7 | Very high | 82.6 | Confident | 55 Ų | 55 | 107 Ų | 107 | 29% | 0.288 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.3 | -47.7 | 176.2 | -162.1 | 71.7 | 0 | 0 | 0 | 110.9 | Y236 M237 L238 R243 Y244 | Y236-L240 HydrophobicContact CE1-CD2 4.21Å; Y236-L240 VanDerWaalsContact O-CB 3.3Å; Y236-L240 WeakPolarHBondContact O-CB 3.26Å; Y236-L240 PolarHBondContact O-N 3.09Å; M237-L240 WeakPolarHBondContact O-CB 3.44Å; M237-L240 PolarHBondContact O-N 3.42Å; M237-L240 VanDerWaalsContact O-N 3.15Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 2.77Å; L240-R243 PolarHBondContact O-N 2.82Å; L240-Y244 HydrophobicContact CD1-CD2 4.33Å; L240-Y244 HydrophobicContact CD1-CE2 3.78Å; L240-Y244 HydrophobicContact CD2-CE2 4.49Å; L240-Y244 HydrophobicContact CG-CD2 3.97Å; L240-Y244 HydrophobicContact CG-CE2 3.8Å; L240-Y244 VanDerWaalsContact O-CD2 3.23Å; L240-Y244 WeakPolarHBondContact O-CD2 3.47Å; L240-Y244 PolarHBondContact O-N 3.37Å |
| 241 | I | 92.8 | Very high | 80.4 | Confident | 109 Ų | 109 | 109.1 Ų | 109.1 | 56% | 0.559 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.8 | -46.2 | 175.2 | -68.3 | 163.3 | 0 | 0 | 0 | 110.5 | M237 L238 R243 Y244 A245 | M237-I241 WeakPolarHBondContact O-CB 3.22Å; M237-I241 VanDerWaalsContact O-CG1 3.26Å; M237-I241 WeakPolarHBondContact O-CG1 3.38Å; M237-I241 PolarHBondContact O-N 3.07Å; L238-I241 PolarHBondContact O-N 3.26Å; I241-R243 VanDerWaalsContact C-N 3.33Å; I241-R243 PolarHBondContact O-N 3.38Å; I241-Y244 PolarHBondContact O-N 3.25Å; I241-A245 WeakPolarHBondContact O-CB 3.35Å; I241-A245 PolarHBondContact O-N 2.89Å |
| 242 | Q | 90.1 | Very high | 78.1 | Confident | 125 Ų | 125 | 109.9 Ų | 109.9 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.8 | -42.1 | 177.2 | -175.1 | 177.1 | 7.8 | 0 | 0 | 111.4 | L238 L246 | L238-Q242 VanDerWaalsContact O-CB 3.23Å; L238-Q242 WeakPolarHBondContact O-CB 3.43Å; L238-Q242 PolarHBondContact O-N 3.26Å; Q242-L246 HydrophobicContact CG-CD1 3.78Å; Q242-L246 HydrophobicContact CG-CG 4.4Å; Q242-L246 VanDerWaalsContact O-CB 3.29Å; Q242-L246 WeakPolarHBondContact O-CB 3.32Å; Q242-L246 VanDerWaalsContact O-CG 3.27Å; Q242-L246 WeakPolarHBondContact O-CG 2.74Å; Q242-L246 PolarHBondContact O-N 3.04Å |
| 243 | R | 85.8 | Confident | 75.5 | Confident | 115 Ų | 115 | 108.7 Ų | 108.7 | 43% | 0.434 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61 | -51 | 173 | -77.1 | 172.8 | -72.5 | 174.1 | 2.7 | 111.2 | S239 L240 I241 A245 L246 L247 | S239-R243 WeakPolarHBondContact O-CB 3.24Å; S239-R243 VanDerWaalsContact O-CG 3.27Å; S239-R243 WeakPolarHBondContact O-CG 3.31Å; S239-R243 PolarHBondContact O-N 3Å; S239-R243 PolarHBondContact O-NE 2.86Å; S239-R243 PolarHBondContact OG-NE 3.01Å; S239-R243 PolarHBondContact OG-NH2 3.03Å; L240-R243 PolarHBondContact O-N 2.82Å; I241-R243 VanDerWaalsContact C-N 3.33Å; I241-R243 PolarHBondContact O-N 3.38Å; R243-A245 PolarHBondContact O-N 3.44Å; R243-L246 PolarHBondContact O-N 3.23Å; R243-L247 WeakPolarHBondContact O-CB 3.35Å; R243-L247 WeakPolarHBondContact O-CD1 3.45Å; R243-L247 PolarHBondContact O-N 2.91Å |
| 244 | Y | 77 | Confident | 72.8 | Confident | 165 Ų | 165 | 116 Ų | 116 | 65% | 0.647 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.8 | -23.3 | -179 | -75.6 | -65.2 | 0 | 0 | 0 | 115.1 | L240 I241 L247 | L240-Y244 HydrophobicContact CD1-CD2 4.33Å; L240-Y244 HydrophobicContact CD1-CE2 3.78Å; L240-Y244 HydrophobicContact CD2-CE2 4.49Å; L240-Y244 HydrophobicContact CG-CD2 3.97Å; L240-Y244 HydrophobicContact CG-CE2 3.8Å; L240-Y244 VanDerWaalsContact O-CD2 3.23Å; L240-Y244 WeakPolarHBondContact O-CD2 3.47Å; L240-Y244 PolarHBondContact O-N 3.37Å; I241-Y244 PolarHBondContact O-N 3.25Å; Y244-L247 HydrophobicContact CD1-CD2 4.49Å |
| 245 | A | 80.1 | Confident | 70.5 | Confident | 77 Ų | 77 | 117.3 Ų | 117.3 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -81 | -32.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I241 R243 | I241-A245 WeakPolarHBondContact O-CB 3.35Å; I241-A245 PolarHBondContact O-N 2.89Å; R243-A245 PolarHBondContact O-N 3.44Å |
| 246 | L | 64.2 | Low | 67.8 | Low | 129 Ų | 129 | 121.3 Ų | 121.3 | 68% | 0.675 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -90.1 | -17.6 | 175.9 | -62.7 | 178.6 | 0 | 0 | 0 | 113.3 | Q242 R243 P248 | Q242-L246 HydrophobicContact CG-CD1 3.78Å; Q242-L246 HydrophobicContact CG-CG 4.4Å; Q242-L246 VanDerWaalsContact O-CB 3.29Å; Q242-L246 WeakPolarHBondContact O-CB 3.32Å; Q242-L246 VanDerWaalsContact O-CG 3.27Å; Q242-L246 WeakPolarHBondContact O-CG 2.74Å; Q242-L246 PolarHBondContact O-N 3.04Å; R243-L246 PolarHBondContact O-N 3.23Å; L246-P248 VanDerWaalsContact O-CD 3.29Å; L246-P248 WeakPolarHBondContact O-CD 3.35Å |
| 247 | L | 51.2 | Low | 65.1 | Low | 102 Ų | 102 | 122.7 Ų | 122.7 | 53% | 0.534 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -64 | 116.7 | 167.9 | -110 | 70.2 | 0 | 0 | 0 | 109.3 | R243 Y244 R249 | R243-L247 WeakPolarHBondContact O-CB 3.35Å; R243-L247 WeakPolarHBondContact O-CD1 3.45Å; R243-L247 PolarHBondContact O-N 2.91Å; Y244-L247 HydrophobicContact CD1-CD2 4.49Å; L247-R249 PolarHBondContact O-N 3.45Å |
| 248 | P | 53 | Low | 62.3 | Low | 100 Ų | 100 | 124.9 Ų | 124.9 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | | | trans | -67.3 | 112.6 | 175.1 | 27.7 | -32.8 | 0 | 0 | 0 | 108.8 | L246 | L246-P248 VanDerWaalsContact O-CD 3.29Å; L246-P248 WeakPolarHBondContact O-CD 3.35Å |
| 249 | R | 50.6 | Low | 59.9 | Low | 220 Ų | 220 | 125.3 Ų | 125.3 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | | | trans | -45.1 | 128.8 | 176.3 | -72.1 | -176.8 | 176.8 | -176.1 | -1.2 | 110 | L247 C251 | L247-R249 PolarHBondContact O-N 3.45Å; R249-C251 PolarHBondContact O-N 2.88Å |
| 250 | P | 49.9 | Very low | 57.1 | Low | 129 Ų | 129 | 130.5 Ų | 130.5 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -67.8 | -1 | 174.5 | 28.1 | -34.4 | 0 | 0 | 0 | 113.3 | Q252 | P250-Q252 PolarHBondContact O-N 3.1Š|
| 251 | C | 48.5 | Very low | 54.6 | Low | 96 Ų | 96 | 132.9 Ų | 132.9 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | | | trans | -100.6 | 49.1 | -172.7 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | R249 | R249-C251 PolarHBondContact O-N 2.88Š|
| 252 | Q | 43.5 | Very low | 51.9 | Low | 161 Ų | 161 | 132.7 Ų | 132.7 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -146.6 | 142.3 | 155.3 | -79.4 | -55.6 | -68 | 0 | 0 | 110 | P250 R254 | P250-Q252 PolarHBondContact O-N 3.1Å; Q252-R254 PolarHBondContact O-N 3.37Å |
| 253 | P | 41.6 | Very low | 49.2 | Very low | 100 Ų | 100 | 137 Ų | 137 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | | | trans | -69.2 | 115.7 | 172 | 28.9 | -32.9 | 0 | 0 | 0 | 110.3 | T255 | P253-T255 PolarHBondContact O-N 3.01Š|
| 254 | R | 37.4 | Very low | 46.7 | Very low | 219 Ų | 219 | 137.6 Ų | 137.6 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | | | trans | -60.9 | 104.6 | 177.4 | -88.7 | -175.2 | 162.4 | 112 | -6.2 | 111.1 | Q252 | Q252-R254 PolarHBondContact O-N 3.37Š|
| 255 | T | 47.8 | Very low | 44.4 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | -130.9 | 27.4 | 172.8 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | P253 | P253-T255 PolarHBondContact O-N 3.01Š|
| 256 | T | 37.6 | Very low | 42.1 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | trans | -135.1 | 107.7 | 170.3 | 44.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 257 | L | 40.2 | Very low | 40.6 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | trans | -118.9 | 110.8 | 157.9 | -73 | 176.5 | 0 | 0 | 0 | 106.9 | | |
| 258 | T | 37.1 | Very low | 39.7 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 126.1 | 167.6 | 39.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 259 | P | 45.5 | Very low | 39 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 136.9 | 178.8 | 33 | -32.9 | 0 | 0 | 0 | 111.6 | | |
| 260 | D | 31.4 | Very low | 38.2 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 148.3 | 155.2 | -111.3 | -26.9 | 0 | 0 | 0 | 109.4 | | |
| 261 | P | 42 | Very low | 37.4 | Very low | 105 Ų | 105 | 131 Ų | 131 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 150.9 | 172.4 | 32.5 | -34 | 0 | 0 | 0 | 109.8 | | |
| 262 | T | 36.4 | Very low | 36.9 | Very low | 106 Ų | 106 | 134 Ų | 134 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | | | | -175.4 | 143.3 | 73.1 | -53.1 | 0 | 0 | 0 | 0 | 105.9 | | |
| 263 | Y | 32.9 | Very low | 36.3 | Very low | 214 Ų | 214 | 134.5 Ų | 134.5 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | | -179.1 | 128.9 | 92.4 | -109 | -85.5 | 0 | 0 | 0 | 112.9 | | |
| 264 | S | 31.9 | Very low | 36 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | 170.3 | 135.5 | 147.3 | -79.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 265 | G | 29.6 | Very low | 35.7 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | cis | 168.8 | 128.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 266 | A | 31.4 | Very low | 35.1 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | trans | 60.9 | 108.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 267 | S | 33.3 | Very low | 35 | Very low | 131 Ų | 131 | 142 Ų | 142 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | | -177.2 | 150.3 | 118.1 | -168 | 0 | 0 | 0 | 0 | 111.1 | | |
| 268 | G | 33.2 | Very low | 34.3 | Very low | 60 Ų | 60 | 138.7 Ų | 138.7 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | | | trans | 104.4 | 76.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 269 | H | 38 | Very low | 34.3 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | | | trans | 23.6 | 136.8 | 143.3 | -52.4 | -80.8 | 0 | 0 | 0 | 124 | | |
| 270 | S | 32.6 | Very low | 33.4 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | 72 | 161.7 | 154.3 | 84.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 271 | S | 32.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | cis | -146.1 | 177.6 | -4.4 | -160.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 272 | Q | 39.4 | Very low | 32.7 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -76 | 152.6 | 175.9 | -57.2 | 175.3 | 3.7 | 0 | 0 | 112.5 | | |
| 273 | H | 31 | Very low | 32.9 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | | | | 174.1 | 150 | 110.7 | -93 | -63.4 | 0 | 0 | 0 | 114.1 | | |
| 274 | R | 35.1 | Very low | 32.5 | Very low | 231 Ų | 231 | 141.6 Ų | 141.6 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | | | trans | -75.5 | 149.6 | 158.2 | -69.5 | -179.4 | 172.8 | -160.6 | 0.1 | 110 | | |
| 275 | R | 31.1 | Very low | 32.4 | Very low | 243 Ų | 243 | 142.8 Ų | 142.8 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | | | | -172.8 | 143.8 | 127.9 | -107.2 | 160.8 | -175.2 | 160.3 | 1.3 | 113.5 | | |
| 276 | T | 35.3 | Very low | 33 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | | | trans | -82.7 | 161.8 | 152.5 | 42.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 277 | P | 34.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | | | trans | -132.1 | 167.5 | 140.3 | 37.5 | -27.1 | 0 | 0 | 0 | 113.4 | | |
| 278 | S | 26.1 | Very low | 33.3 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | trans | -157.5 | 177.3 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 279 | L | 36 | Very low | 33 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | 73.5 | 158.3 | -179.7 | -42.3 | 172.4 | 0 | 0 | 0 | 113 | | |
| 280 | T | 28.5 | Very low | 32.5 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | cis | -152.1 | -174.6 | 10.2 | -24 | 0 | 0 | 0 | 0 | 107 | | |
| 281 | T | 28.5 | Very low | 32.4 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | cis | -158.6 | 128.6 | 13.4 | -68 | 0 | 0 | 0 | 0 | 110.3 | | |
| 282 | E | 29.2 | Very low | 32.8 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | | 32.2 | 165 | 115.5 | -86.4 | -71.3 | 89.6 | 0 | 0 | 123.2 | | |
| 283 | P | 40.3 | Very low | 32.3 | Very low | 91 Ų | 91 | 149.6 Ų | 149.6 | 59% | 0.591 | 78% | 0.775 | S | S | * | * | | | | -136.5 | -161 | -118.2 | 48 | -30.5 | 0 | 0 | 0 | 115.6 | | |
| 284 | R | 25 | Very low | 32.3 | Very low | 245 Ų | 245 | 146.8 Ų | 146.8 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | | | trans | -167.5 | 164.1 | 146 | -106.8 | 159.3 | -165.7 | -169 | 3.5 | 115.7 | | |
| 285 | L | 29.1 | Very low | 32 | Very low | 153 Ų | 153 | 142 Ų | 142 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | | | trans | -129.1 | 168.4 | 177.7 | -99.5 | 164.3 | 0 | 0 | 0 | 108.6 | | |
| 286 | P | 42.2 | Very low | 32.1 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | | | cis | -127.2 | -178.6 | 43.2 | 20.7 | 6.2 | 0 | 0 | 0 | 114.1 | | |
| 287 | D | 25.4 | Very low | 31.9 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | cis | 80.8 | 149.5 | 27.9 | -156 | 53.5 | 0 | 0 | 0 | 115.4 | | |
| 288 | P | 46.2 | Very low | 31.7 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 57% | 0.565 | 76% | 0.761 | S | S | * | * | | | cis | -126.8 | 174.2 | -20.4 | 22.3 | 0.7 | 0 | 0 | 0 | 115.2 | | |
| 289 | H | 26.9 | Very low | 32.1 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | | 163 | 145.9 | 121.2 | -101.3 | -84.5 | 0 | 0 | 0 | 119.4 | | |
| 290 | C | 27.6 | Very low | 31.6 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | 73.2 | 116.5 | 148.6 | -71.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 291 | Q | 29.7 | Very low | 31.7 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | -80.1 | 154.6 | 153.6 | -75.9 | -80.6 | -29.6 | 0 | 0 | 111.3 | | |
| 292 | P | 41.8 | Very low | 31.7 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | | -152.5 | -174 | 92.3 | 33.1 | -10.9 | 0 | 0 | 0 | 115.3 | | |
| 293 | H | 28.4 | Very low | 31.5 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | cis | -178.6 | 141.6 | -37.4 | -178.6 | -111.5 | 0 | 0 | 0 | 111.5 | | |
| 294 | V | 31 | Very low | 31 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | trans | 82 | 154.8 | 159.6 | 136.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 295 | D | 28.9 | Very low | 31.2 | Very low | 132 Ų | 132 | 147 Ų | 147 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -91.2 | 168.2 | -169.1 | -37.4 | -104.8 | 0 | 0 | 0 | 116.6 | | |
| 296 | L | 34 | Very low | 31.1 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | | 159.5 | 128.6 | 118.2 | -88.9 | 165.4 | 0 | 0 | 0 | 116.2 | | |
| 297 | S | 30.8 | Very low | 30.4 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | 53.7 | 139.4 | 130.2 | -157.3 | 0 | 0 | 0 | 0 | 124.4 | | |
| 298 | A | 31.1 | Very low | 30.5 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | 139.3 | 158 | 132.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 299 | K | 32.9 | Very low | 30.1 | Very low | 204 Ų | 204 | 147.3 Ų | 147.3 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -108.3 | 156.8 | -170.1 | -67.3 | 178 | 172.6 | -179.2 | 0 | 114.6 | | |
| 300 | L | 26.7 | Very low | 30.9 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -153 | 133.6 | 143.1 | -136.2 | 61.8 | 0 | 0 | 0 | 107.2 | | |
| 301 | K | 30.8 | Very low | 31.3 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | | 59.8 | 137.1 | 58.2 | -96.4 | -150.3 | 164.8 | -164 | 0 | 114.3 | | |
| 302 | S | 27.5 | Very low | 31.3 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 59% | 0.594 | 80% | 0.799 | S | S | * | * | | | cis | 177.2 | 134.5 | -21.2 | 42.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 303 | Q | 25.5 | Very low | 31 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | trans | -178.1 | 137.7 | 157.1 | -107.1 | 168.3 | -21.1 | 0 | 0 | 107.6 | | |
| 304 | E | 29.7 | Very low | 31.1 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | cis | 82.5 | 107.4 | 13.8 | -162.8 | 173.4 | -155.7 | 0 | 0 | 117.2 | | |
| 305 | W | 28.9 | Very low | 31.2 | Very low | 239 Ų | 239 | 149.6 Ų | 149.6 | 91% | 0.905 | 81% | 0.813 | S | S | * | * | | | trans | -157.7 | 149 | 138.4 | -89.8 | 105.5 | 0 | 0 | 0 | 108.7 | | |
| 306 | G | 27.3 | Very low | 31.1 | Very low | 58 Ų | 58 | 154.5 Ų | 154.5 | 60% | 0.598 | 82% | 0.822 | S | S | * | * | | | trans | -153.6 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 307 | C | 27.5 | Very low | 31 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 90% | 0.899 | 81% | 0.814 | S | S | * | * | | | trans | -146 | 149.7 | 169.3 | -78.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 308 | D | 28.4 | Very low | 30.9 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | | | trans | -100.7 | 171.7 | -157.3 | -59.4 | -80.4 | 0 | 0 | 0 | 116.3 | | |
| 309 | L | 36.1 | Very low | 31 | Very low | 142 Ų | 142 | 154.4 Ų | 154.4 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | | | trans | -75.4 | 176.8 | 168.4 | -151.7 | 73.6 | 0 | 0 | 0 | 111.2 | E311 | L309-E311 HydrophobicContact CD2-CG 3.95Š|
| 310 | P | 44.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | | | | -142 | 164.4 | 107 | 38 | -25.7 | 0 | 0 | 0 | 115.5 | | |
| 311 | E | 35.4 | Very low | 31.5 | Very low | 186 Ų | 186 | 146.9 Ų | 146.9 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -83.5 | 170.1 | -177.6 | -58.5 | 168.1 | 109.8 | 0 | 0 | 113.7 | L309 | L309-E311 HydrophobicContact CD2-CG 3.95Š|
| 312 | G | 30.2 | Very low | 31.5 | Very low | 82 Ų | 82 | 146.5 Ų | 146.5 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -168.3 | 89.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 313 | E | 34.7 | Very low | 31.7 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | -92.9 | 132.8 | -175 | -173.3 | -173.7 | -175.9 | 0 | 0 | 113.1 | | |
| 314 | A | 32 | Very low | 32.1 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -154.9 | 145.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 315 | R | 32.1 | Very low | 32.3 | Very low | 230 Ų | 230 | 143.6 Ų | 143.6 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | -101.9 | 152.8 | 174 | -65.1 | 172.6 | 170.8 | 178 | -5.5 | 111.2 | | |
| 316 | R | 27.4 | Very low | 32.4 | Very low | 235 Ų | 235 | 136.5 Ų | 136.5 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | | 139.9 | 107.3 | 124.5 | -179.5 | 176 | -85.9 | -162.3 | -5.5 | 115.7 | | |
| 317 | A | 31.1 | Very low | 32.8 | Very low | 86 Ų | 86 | 144 Ų | 144 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | 61.8 | 165.9 | 133.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 318 | E | 29.3 | Very low | 33.4 | Very low | 199 Ų | 199 | 144.7 Ų | 144.7 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | | | trans | 74.2 | 141.9 | 163.8 | -67.7 | -178.3 | 139.5 | 0 | 0 | 120.2 | | |
| 319 | A | 32.8 | Very low | 33.9 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | | | trans | -128.4 | 144 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 320 | P | 41.9 | Very low | 33.7 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | | -129.8 | 138.8 | 126.5 | 5.6 | 16.7 | 0 | 0 | 0 | 110.1 | | |
| 321 | S | 28.9 | Very low | 33.1 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | | 86.6 | 140.2 | 59.8 | 84.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 322 | F | 31 | Very low | 32.9 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | 71.6 | 143 | 176 | -88.1 | -121 | 0 | 0 | 0 | 116.8 | | |
| 323 | E | 32.1 | Very low | 33.3 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | | | cis | -163.6 | 169.4 | -22.6 | -134 | -175 | -160.6 | 0 | 0 | 110.7 | | |
| 324 | E | 32 | Very low | 33.1 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | trans | 50.4 | 121 | 155.9 | -116.2 | 57.8 | -178.1 | 0 | 0 | 123.3 | | |
| 325 | G | 35.1 | Very low | 33.1 | Very low | 77 Ų | 77 | 146.4 Ų | 146.4 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -179.8 | 57.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 326 | C | 31.2 | Very low | 33 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | | | trans | -60.7 | 154.8 | 178.8 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 327 | Y | 35.7 | Very low | 33.5 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | cis | -149.1 | 162.9 | 38.4 | -91.2 | -90 | 0 | 0 | 0 | 115.8 | | |
| 328 | L | 38.9 | Very low | 33.5 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | -40.9 | 144.4 | 177.1 | -66.7 | 151.6 | 0 | 0 | 0 | 118.4 | | |
| 329 | P | 38.6 | Very low | 33.8 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 148.1 | 159 | 34.7 | -32.8 | 0 | 0 | 0 | 112.3 | | |
| 330 | L | 32.2 | Very low | 33.9 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 126.6 | 174 | -87.7 | 75.6 | 0 | 0 | 0 | 111.9 | | |
| 331 | S | 32 | Very low | 33.3 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 125.6 | 165 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 332 | Y | 31.1 | Very low | 33.4 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 86% | 0.863 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 136.4 | 169 | -102.8 | -94.4 | 0 | 0 | 0 | 111 | | |
| 333 | P | 38.8 | Very low | 33.4 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 161.2 | -170.6 | 35.3 | -36.8 | 0 | 0 | 0 | 114.8 | | |
| 334 | Q | 31.2 | Very low | 33.5 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65 | 153.1 | 167.2 | -80.2 | -169.4 | -11.2 | 0 | 0 | 112.8 | | |
| 335 | P | 32.4 | Very low | 34.1 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 128.4 | 166.3 | 33 | -32 | 0 | 0 | 0 | 112.3 | | |
| 336 | R | 30.5 | Very low | 34 | Very low | 224 Ų | 224 | 147.1 Ų | 147.1 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -131.6 | 150 | 157.1 | -92.1 | -171.8 | 173.1 | -177.1 | -1.3 | 109.7 | | |
| 337 | P | 37.5 | Very low | 34.6 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | trans | -80.4 | 140.4 | -173.1 | 31.7 | -34.9 | 0 | 0 | 0 | 112.7 | | |
| 338 | N | 29.7 | Very low | 34.4 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -106.1 | 132.3 | 172.1 | -81.5 | -20.8 | 0 | 0 | 0 | 111.2 | | |
| 339 | P | 36.6 | Very low | 34.8 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -77 | 148.4 | 157.9 | 33.6 | -32.1 | 0 | 0 | 0 | 110.1 | | |
| 340 | L | 34.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 144 Ų | 144 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -128.1 | 134.5 | 174 | -77.4 | 174.3 | 0 | 0 | 0 | 111.1 | | |
| 341 | M | 30.5 | Very low | 34.2 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | | | trans | -132.7 | 112.3 | 171.5 | -168.7 | 179.7 | 74.5 | 0 | 0 | 108.9 | | |
| 342 | G | 29.6 | Very low | 34.1 | Very low | 76 Ų | 76 | 147 Ų | 147 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | trans | -98.6 | 156.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 343 | R | 31 | Very low | 34.9 | Very low | 211 Ų | 211 | 140.9 Ų | 140.9 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | trans | -140.8 | 163 | -166.8 | -152.4 | -168 | -175 | -112.5 | 3.4 | 112.6 | | |
| 344 | L | 34.5 | Very low | 34.5 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | | | trans | 77.8 | 158.9 | 163.7 | -68 | 154.8 | 0 | 0 | 0 | 116.7 | | |
| 345 | P | 44.2 | Very low | 34.6 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | cis | -118.3 | 178.4 | -0.1 | 38.5 | -24.6 | 0 | 0 | 0 | 115.3 | | |
| 346 | S | 32.6 | Very low | 34.3 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | trans | -132.3 | 153.2 | 176.3 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 347 | P | 44.5 | Very low | 34.4 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -82.7 | 162.7 | 178.1 | 33.2 | -34.5 | 0 | 0 | 0 | 114.5 | | |
| 348 | L | 32.6 | Very low | 34.1 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -99.1 | -175.4 | -179.2 | -84.3 | 169.5 | 0 | 0 | 0 | 110.5 | | |
| 349 | P | 47.1 | Very low | 34.4 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | cis | -150.8 | 178.3 | 21.7 | 45.5 | -25.2 | 0 | 0 | 0 | 120.7 | | |
| 350 | S | 27.7 | Very low | 34 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | 70.4 | 138.4 | 151.1 | -135.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 351 | L | 30.8 | Very low | 33.7 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | cis | -136.9 | 167.2 | 29.4 | -111.5 | 93.2 | 0 | 0 | 0 | 114.2 | | |
| 352 | E | 29.9 | Very low | 33.6 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | -113.8 | -178 | 163.6 | -127.1 | -161.4 | -169.5 | 0 | 0 | 108.2 | | |
| 353 | P | 47.7 | Very low | 34.9 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 60% | 0.597 | 76% | 0.764 | S | S | * | * | | | cis | -142.3 | 178.4 | -5.8 | 40.1 | -20.4 | 0 | 0 | 0 | 118.1 | | |
| 354 | N | 30 | Very low | 35.9 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | trans | 79.2 | 155.9 | 139.9 | -93.3 | -48.5 | 0 | 0 | 0 | 124 | | |
| 355 | C | 32 | Very low | 36 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | | | trans | 68.6 | 142.5 | 173.7 | -57.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 356 | G | 27.8 | Very low | 36.3 | Very low | 64 Ų | 64 | 124.9 Ų | 124.9 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | | | cis | 138.8 | 116.2 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 357 | V | 32.6 | Very low | 36.2 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | 22.7 | 143.5 | 148.7 | -73.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 358 | D | 30.2 | Very low | 35.6 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | cis | -176.5 | 176.3 | -9.2 | -167.8 | 5.5 | 0 | 0 | 0 | 108.8 | | |
| 359 | L | 35.2 | Very low | 35.5 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | 70.6 | 145.8 | 164.9 | -50.8 | 167.7 | 0 | 0 | 0 | 116.2 | | |
| 360 | S | 28.7 | Very low | 34.7 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | cis | -155.2 | 177.6 | 8.7 | -25.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 361 | C | 29.2 | Very low | 35.1 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | | | cis | -165.4 | 170.9 | -10.6 | -135.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 362 | E | 28.3 | Very low | 35.3 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | 69.5 | 155.3 | 150.6 | -83.9 | -153.6 | 87.1 | 0 | 0 | 122.3 | | |
| 363 | P | 57.2 | Low | 35.2 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | | | | -137.5 | -148.9 | -127.1 | 45.1 | -23.2 | 0 | 0 | 0 | 112.7 | | |
| 364 | P | 50.6 | Low | 35.3 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | | | cis | -139.5 | 172.7 | -7.6 | 40 | -20.8 | 0 | 0 | 0 | 119.2 | | |
| 365 | S | 36.9 | Very low | 35.2 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | trans | 74.3 | 155.5 | 149.1 | -78.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 366 | P | 50.1 | Low | 35.2 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | | | cis | -136.2 | 155.5 | -23.2 | 36 | -18.3 | 0 | 0 | 0 | 116.4 | | |
| 367 | Q | 31.8 | Very low | 35.5 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | | | trans | 32.7 | 145.4 | 136.1 | -53.9 | -174.5 | -0.6 | 0 | 0 | 120.8 | | |
| 368 | H | 31.6 | Very low | 35.3 | Very low | 168 Ų | 168 | 141 Ų | 141 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | | | cis | 165.3 | -178.8 | -12.5 | -110.5 | -61.7 | 0 | 0 | 0 | 105.5 | | |
| 369 | Y | 30.3 | Very low | 35.7 | Very low | 199 Ų | 199 | 140.3 Ų | 140.3 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | | | trans | 73.2 | 131.2 | -178 | -67.2 | -97.9 | 0 | 0 | 0 | 114.8 | | |
| 370 | I | 30.6 | Very low | 35.7 | Very low | 141 Ų | 141 | 141 Ų | 141 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | | | cis | 104.9 | 137.9 | 30.6 | -71.9 | 169.2 | 0 | 0 | 0 | 112.5 | | |
| 371 | H | 35.6 | Very low | 36.1 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | | | trans | -59.5 | 143.9 | -177.1 | 178.3 | 22.1 | 0 | 0 | 0 | 114.8 | | |
| 372 | P | 34.5 | Very low | 36.9 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | trans | -121.9 | 149.9 | 151.1 | 36.9 | -27.9 | 0 | 0 | 0 | 113.6 | | |
| 373 | Q | 28.2 | Very low | 37.6 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | | | trans | -88.1 | -178.4 | 161.2 | -85.6 | -73.3 | 22.2 | 0 | 0 | 109.4 | | |
| 374 | P | 51.1 | Low | 36.8 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | trans | -97.9 | 164.5 | -146.5 | 39.9 | -36.9 | 0 | 0 | 0 | 114.9 | | |
| 375 | S | 27.8 | Very low | 36.5 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -152.6 | 128.3 | 164 | 53 | 0 | 0 | 0 | 0 | 115.1 | | |
| 376 | V | 30.9 | Very low | 36.9 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 53.2 | 110.7 | 136.1 | -173 | 0 | 0 | 0 | 0 | 120.6 | | |
| 377 | Y | 34.4 | Very low | 36.4 | Very low | 214 Ų | 214 | 150.2 Ų | 150.2 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | 16.1 | 130.9 | 143.2 | -64.4 | -88.9 | 0 | 0 | 0 | 121.8 | | |
| 378 | Q | 28.3 | Very low | 37.2 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | trans | -139 | 147.9 | 130.2 | -162.3 | 164.3 | 7.7 | 0 | 0 | 111.1 | | |
| 379 | V | 37.8 | Very low | 38.1 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | | | trans | -100.7 | 135.3 | -169 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 380 | H | 35.8 | Very low | 38.5 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -155 | 137.3 | 153.2 | -103.7 | -67.7 | 0 | 0 | 0 | 114.2 | | |
| 381 | N | 37.9 | Very low | 39 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | 60.3 | 75.9 | 151.8 | -54.2 | -5.1 | 0 | 0 | 0 | 118.7 | | |
| 382 | L | 45.4 | Very low | 39.2 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 93% | 0.932 | 77% | 0.773 | S | S | * | * | | | trans | -74.3 | 137.2 | 156.3 | -69.2 | 171.2 | 0 | 0 | 0 | 110.8 | | |
| 383 | V | 43.8 | Very low | 39.1 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | -79 | 133.1 | 173.3 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | A385 | V383-A385 PolarHBondContact O-N 2.69Š|
| 384 | S | 38.6 | Very low | 39.6 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | trans | -73.1 | 103 | 178.9 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | Q386 | S384-Q386 PolarHBondContact O-N 3.04Š|
| 385 | A | 45.4 | Very low | 38.8 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | -72.2 | 112.7 | 167 | 0 | 0 | 0 | 0 | 0 | 110.1 | V383 Y387 | V383-A385 PolarHBondContact O-N 2.69Å; A385-Y387 PolarHBondContact O-N 2.84Å |
| 386 | Q | 45.7 | Very low | 39.6 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -70.5 | 119.2 | -177.1 | -159.4 | 83.1 | 31.2 | 0 | 0 | 111 | S384 I388 | S384-Q386 PolarHBondContact O-N 3.04Å; Q386-I388 PolarHBondContact O-N 3.17Å |
| 387 | Y | 38.7 | Very low | 39.9 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -66.2 | 124.6 | 175.2 | 175.9 | -100.3 | 0 | 0 | 0 | 111.4 | A385 P389 | A385-Y387 PolarHBondContact O-N 2.84Å; Y387-P389 HydrophobicContact CD1-CG 4.09Å; Y387-P389 HydrophobicContact CE1-CB 4.16Å; Y387-P389 HydrophobicContact CE1-CG 3.87Å |
| 388 | I | 49.3 | Very low | 39.9 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | | | trans | -102.9 | 113.7 | 174.3 | -59 | 177.4 | 0 | 0 | 0 | 108.6 | Q386 G390 | Q386-I388 PolarHBondContact O-N 3.17Å; I388-G390 PolarHBondContact O-N 3.14Å |
| 389 | P | 50.3 | Low | 40.3 | Very low | 90 Ų | 90 | 137 Ų | 137 | 58% | 0.584 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 123.1 | 175.7 | -16.3 | 29.8 | 0 | 0 | 0 | 111.3 | Y387 Q391 | Y387-P389 HydrophobicContact CD1-CG 4.09Å; Y387-P389 HydrophobicContact CE1-CB 4.16Å; Y387-P389 HydrophobicContact CE1-CG 3.87Å; P389-Q391 PolarHBondContact O-N 3.03Å |
| 390 | G | 37.6 | Very low | 40.3 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70 | 118.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I388 | I388-G390 PolarHBondContact O-N 3.14Š|
| 391 | Q | 40.9 | Very low | 40.2 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 146.8 | 172.7 | -72.6 | -164.9 | -5.3 | 0 | 0 | 112.1 | P389 C393 | P389-Q391 PolarHBondContact O-N 3.03Å; Q391-C393 PolarHBondContact O-N 2.73Å |
| 392 | A | 40.4 | Very low | 40.2 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | | | trans | -75.4 | 113.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H394 | A392-H394 PolarHBondContact O-N 3.46Å; A392-H394 VanDerWaalsContact O-N 3.08Å |
| 393 | C | 33.8 | Very low | 39.5 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | | | trans | -74.7 | 94.1 | 176.2 | -68.6 | 0 | 0 | 0 | 0 | 112 | Q391 | Q391-C393 PolarHBondContact O-N 2.73Š|
| 394 | H | 38.5 | Very low | 39 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 133.4 | 167.9 | -73.4 | -89.3 | 0 | 0 | 0 | 111.4 | A392 P396 | A392-H394 PolarHBondContact O-N 3.46Å; A392-H394 VanDerWaalsContact O-N 3.08Å; H394-P396 WeakPolarHBondContact O-CD 3.26Å |
| 395 | A | 34.2 | Very low | 39 | Very low | 94 Ų | 94 | 147.7 Ų | 147.7 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 122.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 396 | P | 43.8 | Very low | 38.4 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 143.1 | 176.4 | -16 | 32.2 | 0 | 0 | 0 | 113 | H394 | H394-P396 WeakPolarHBondContact O-CD 3.26Š|
| 397 | V | 36.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | trans | -106.7 | 131.4 | -177.8 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 398 | R | 34.8 | Very low | 37.6 | Very low | 241 Ų | 241 | 147.2 Ų | 147.2 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | 73.4 | 148.5 | 166.1 | -77.2 | 173.4 | 177.1 | 170 | 0.2 | 119.5 | | |
| 399 | S | 36.2 | Very low | 37.2 | Very low | 98 Ų | 98 | 149.5 Ų | 149.5 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | | | trans | -92.1 | 155.4 | 172 | 159.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 400 | P | 37.4 | Very low | 36.4 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | | | | -110.6 | 158.3 | 126.9 | -12.1 | 30.3 | 0 | 0 | 0 | 113.1 | | |
| 401 | R | 35.5 | Very low | 36.2 | Very low | 228 Ų | 228 | 153.9 Ų | 153.9 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -87.3 | 154.1 | 165.5 | -47.4 | 175.6 | -169.4 | 170.9 | 2.7 | 108.8 | | |
| 402 | H | 36.2 | Very low | 35.9 | Very low | 182 Ų | 182 | 155.3 Ų | 155.3 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -161.1 | 171.3 | 130.4 | -125.8 | -99.8 | 0 | 0 | 0 | 114.8 | | |
| 403 | Y | 31.8 | Very low | 35.5 | Very low | 207 Ų | 207 | 155.7 Ų | 155.7 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 156.2 | -175.4 | -94.8 | -117.9 | 0 | 0 | 0 | 116.3 | | |
| 404 | K | 32.9 | Very low | 35.4 | Very low | 196 Ų | 196 | 153.7 Ų | 153.7 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 135.9 | 152.6 | -73.7 | -160.6 | 175.4 | -167.7 | 0 | 110.7 | | |
| 405 | P | 39.3 | Very low | 35.3 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 167.9 | 161.1 | 35.1 | -33.5 | 0 | 0 | 0 | 111.3 | | |
| 406 | E | 32.6 | Very low | 35.1 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -122.7 | 173.5 | 174.9 | -151.4 | -146.3 | -132.5 | 0 | 0 | 110.7 | | |
| 407 | Q | 35.2 | Very low | 35.6 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | | | trans | 78.4 | 123.9 | 171.6 | -51.5 | -172.9 | 10.2 | 0 | 0 | 119.4 | | |
| 408 | S | 33 | Very low | 35.5 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | | -154.2 | 165.4 | 109.9 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 409 | K | 40.1 | Very low | 35.6 | Very low | 194 Ų | 194 | 148 Ų | 148 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -130.9 | 145.4 | -170 | -65.4 | 179.5 | -179.4 | 177 | 0 | 113.5 | | |
| 410 | V | 33.3 | Very low | 35.6 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | -151.3 | 132.4 | 171.7 | 175.4 | 0 | 0 | 0 | 0 | 106.1 | | |
| 411 | N | 33 | Very low | 35.4 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | | | cis | -148.7 | -156.8 | -4.6 | -149.5 | -46.7 | 0 | 0 | 0 | 109.8 | | |
| 412 | R | 35.2 | Very low | 35.4 | Very low | 215 Ų | 215 | 142.1 Ų | 142.1 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -32.6 | 153 | 153.2 | -96.3 | 159.3 | -84.6 | -177.8 | -14.6 | 115.6 | | |
| 413 | A | 31.9 | Very low | 35.3 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | cis | -151.4 | -165 | 3.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 414 | A | 32.3 | Very low | 35.5 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | cis | -158.4 | -168.3 | 7.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 415 | A | 35.5 | Very low | 35.6 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 88% | 0.876 | 77% | 0.773 | S | S | * | * | | | trans | 71.7 | 140.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 416 | S | 30.8 | Very low | 35.8 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -131.2 | 176.4 | -172.5 | -168.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 417 | P | 53.9 | Low | 36.9 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | | -121.6 | -178 | -50.3 | 36.2 | -22.8 | 0 | 0 | 0 | 111.4 | | |
| 418 | D | 34.3 | Very low | 37.2 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | | | | -161.8 | 175.3 | 110.2 | -139.1 | -19.6 | 0 | 0 | 0 | 114 | | |
| 419 | Q | 37.6 | Very low | 37.7 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -98.7 | 169.3 | -172.6 | -73.4 | 178.2 | 83.5 | 0 | 0 | 111.8 | | |
| 420 | S | 35.7 | Very low | 37.4 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | | | cis | -166.6 | 172.8 | -17.4 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 421 | N | 33.1 | Very low | 37.4 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | trans | 64.9 | 156.6 | 148.6 | -80.6 | -49.5 | 0 | 0 | 0 | 119.6 | | |
| 422 | S | 35 | Very low | 37.7 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | cis | -156.7 | 151.9 | -12.1 | 50.8 | 0 | 0 | 0 | 0 | 114 | | |
| 423 | K | 35.4 | Very low | 37.8 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | | | trans | 26.7 | 112.4 | 141.8 | -65.4 | 174.7 | 178.4 | 170.4 | 0 | 121 | | |
| 424 | S | 34.5 | Very low | 38.5 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | | 92.7 | 162.3 | 111.3 | 80 | 0 | 0 | 0 | 0 | 122.9 | | |
| 425 | K | 36.8 | Very low | 38.9 | Very low | 192 Ų | 192 | 143 Ų | 143 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | | | trans | 89.7 | 91.2 | 160 | -68 | 177.9 | -177.7 | 178 | 0 | 120.7 | | |
| 426 | A | 42 | Very low | 39.4 | Very low | 95 Ų | 95 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | | 66.8 | 143.1 | 112.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 427 | P | 57 | Low | 39.7 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -94.9 | 159.8 | -172.2 | 38.4 | -37.5 | 0 | 0 | 0 | 115.7 | | |
| 428 | K | 40.4 | Very low | 39.4 | Very low | 207 Ų | 207 | 151.9 Ų | 151.9 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | | | trans | -152.3 | 158.6 | 165.4 | -74.6 | -177.9 | -176.6 | 172.8 | 0 | 108.4 | | |
| 429 | K | 43 | Very low | 39.9 | Very low | 172 Ų | 172 | 155 Ų | 155 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | cis | -174.8 | 168.7 | -26.9 | -166.6 | -166 | 159.8 | -168.8 | 0 | 106 | | |
| 430 | N | 33.6 | Very low | 39.9 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 83.3 | 147.8 | 164.4 | -40.6 | -48.2 | 0 | 0 | 0 | 114.6 | | |
| 431 | H | 35.2 | Very low | 40 | Very low | 177 Ų | 177 | 154.7 Ų | 154.7 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | | | cis | -142.1 | 179.3 | -3 | -164.1 | 35.6 | 0 | 0 | 0 | 112.3 | | |
| 432 | N | 38.7 | Very low | 40.2 | Very low | 114 Ų | 114 | 155.1 Ų | 155.1 | 61% | 0.61 | 80% | 0.798 | S | S | * | * | | | trans | -77.8 | -176.8 | 175.9 | -123.4 | 16.8 | 0 | 0 | 0 | 110.6 | | |
| 433 | D | 36.6 | Very low | 40.6 | Very low | 134 Ų | 134 | 158.4 Ų | 158.4 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | | | cis | -149.1 | -173.6 | 21 | -138.8 | -53.9 | 0 | 0 | 0 | 114.3 | | |
| 434 | R | 46.8 | Very low | 40.8 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -138.8 | 120.2 | -157.9 | 171.7 | -155 | -167 | -166.7 | 9.9 | 111.6 | | |
| 435 | Q | 41.5 | Very low | 40.7 | Very low | 198 Ų | 198 | 157.8 Ų | 157.8 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | | | trans | -133.4 | 153.2 | 162.2 | -74.1 | -154.2 | -5.2 | 0 | 0 | 114 | | |
| 436 | K | 44.7 | Very low | 40.8 | Very low | 190 Ų | 190 | 158.6 Ų | 158.6 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -119.1 | 141.1 | 174.3 | -70.1 | 177.8 | 174.1 | 179.6 | 0 | 108.9 | | |
| 437 | S | 38.6 | Very low | 40.6 | Very low | 123 Ų | 123 | 160.9 Ų | 160.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -143.7 | 173.6 | 159.5 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 438 | K | 46 | Very low | 39.5 | Very low | 201 Ų | 201 | 162.3 Ų | 162.3 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -121.7 | 155.5 | -166.9 | -62.6 | 170.6 | -180 | 170.7 | 0 | 111.2 | | |
| 439 | K | 45.2 | Very low | 39.7 | Very low | 211 Ų | 211 | 158.2 Ų | 158.2 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | | | trans | 30.2 | 115.2 | 153.2 | -85.1 | -176.5 | 167.8 | -178.3 | 0 | 117.9 | | |
| 440 | A | 37.5 | Very low | 39.5 | Very low | 109 Ų | 109 | 159 Ų | 159 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | -156.3 | 143.3 | 130 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 441 | N | 39.1 | Very low | 39.5 | Very low | 137 Ų | 137 | 160.6 Ų | 160.6 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | | | trans | -62.9 | 145.7 | 170.5 | 170.6 | 18.2 | 0 | 0 | 0 | 112.2 | | |
| 442 | N | 37.3 | Very low | 39.7 | Very low | 155 Ų | 155 | 156.8 Ų | 156.8 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | | | trans | -145.5 | 149.3 | 144.6 | -141 | -13.9 | 0 | 0 | 0 | 113 | | |
| 443 | K | 43.9 | Very low | 39.7 | Very low | 164 Ų | 164 | 158.6 Ų | 158.6 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | | | trans | -80.4 | 174.7 | 169.2 | -60.8 | 166.5 | -178.7 | 168.3 | 0 | 107.4 | | |
| 444 | T | 37.6 | Very low | 40.2 | Very low | 111 Ų | 111 | 158 Ų | 158 | 68% | 0.681 | 82% | 0.817 | S | S | * | * | | | cis | -164 | 150.5 | 28.1 | -42.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 445 | N | 33.8 | Very low | 39.4 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | | | trans | -163.8 | 128.6 | 131.9 | -104.9 | -32.4 | 0 | 0 | 0 | 111.7 | | |
| 446 | R | 38.2 | Very low | 38.9 | Very low | 209 Ų | 209 | 151.2 Ų | 151.2 | 79% | 0.789 | 82% | 0.815 | S | S | * | * | | | trans | -122.9 | 131.3 | 172.4 | -108.4 | -176 | 168.6 | 139.3 | -6.6 | 106.6 | | |
| 447 | T | 37.6 | Very low | 38.4 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | trans | -141.1 | 108.7 | 156.2 | 29.1 | 0 | 0 | 0 | 0 | 108 | | |
| 448 | H | 33.6 | Very low | 38 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 72% | 0.718 | 81% | 0.812 | S | S | * | * | | | trans | -88.2 | 154.4 | 156.9 | -68.9 | -110.9 | 0 | 0 | 0 | 107.2 | | |
| 449 | S | 44.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | trans | -117.4 | 118.9 | 164.5 | 56.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 450 | E | 39.8 | Very low | 37 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -81.1 | 158.1 | -179.1 | -65.1 | 163.9 | 103 | 0 | 0 | 111.4 | | |
| 451 | N | 34.7 | Very low | 36.7 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -146.3 | 140.4 | 145.3 | -147.9 | -0.7 | 0 | 0 | 0 | 111 | | |
| 452 | S | 38 | Very low | 36.2 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | trans | -58.2 | 167.1 | -175 | -66.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 453 | L | 39 | Very low | 36.2 | Very low | 152 Ų | 152 | 148 Ų | 148 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | cis | -177.6 | -173.8 | -11.8 | -100.4 | 173.1 | 0 | 0 | 0 | 105.4 | | |
| 454 | P | 46.2 | Very low | 35.5 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | cis | -120.2 | 177.8 | -36 | 37.5 | -24.2 | 0 | 0 | 0 | 111.7 | | |
| 455 | G | 30.6 | Very low | 35.2 | Very low | 78 Ų | 78 | 147.6 Ų | 147.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | 166.7 | 81.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 456 | Q | 31.2 | Very low | 35 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -155.8 | 139.7 | 177.3 | -160.7 | 179.3 | 74.4 | 0 | 0 | 116.5 | | |
| 457 | R | 34.5 | Very low | 34.9 | Very low | 223 Ų | 223 | 142.1 Ų | 142.1 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | 120.2 | 137.2 | 161.8 | -68 | -173.3 | -83.4 | -146.7 | 2.5 | 110.1 | | |
| 458 | V | 31 | Very low | 34.8 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | | | cis | -148 | 143.3 | 43.8 | 163.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 459 | V | 34.3 | Very low | 34.9 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | 16.4 | 147.8 | 142.6 | -176 | 0 | 0 | 0 | 0 | 120.7 | | |
| 460 | A | 33.9 | Very low | 34.3 | Very low | 85 Ų | 85 | 147.9 Ų | 147.9 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | cis | -178.5 | 169.3 | -25.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 461 | D | 31.4 | Very low | 33.9 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | 71.8 | 157.1 | 155.3 | -157.1 | 26.8 | 0 | 0 | 0 | 121.6 | | |
| 462 | R | 30.3 | Very low | 33.6 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 70% | 0.698 | 75% | 0.753 | S | S | * | * | | | trans | 72.4 | 91.2 | 159.5 | -84 | 158.7 | -164.4 | -120.1 | -0 | 123.3 | | |
| 463 | R | 35.6 | Very low | 33.3 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | | | | 44.2 | 147.3 | 115 | -58 | -167 | -62.4 | -158.3 | 4.4 | 122.5 | | |
| 464 | Y | 29.2 | Very low | 32.9 | Very low | 207 Ų | 207 | 148.2 Ų | 148.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | trans | 84.4 | 165.5 | 162.3 | -55.9 | -68.8 | 0 | 0 | 0 | 117.8 | | |
| 465 | G | 31.5 | Very low | 32.4 | Very low | 59 Ų | 59 | 149.9 Ų | 149.9 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | | | trans | -176.3 | -157.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 466 | T | 30.6 | Very low | 33.5 | Very low | 137 Ų | 137 | 152.1 Ų | 152.1 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | 84.5 | 156.5 | -179.1 | 75.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 467 | T | 34.8 | Very low | 33.6 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | | | trans | 67.8 | 99.9 | 167.7 | 59.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 468 | E | 35.9 | Very low | 33.8 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 63% | 0.631 | 76% | 0.76 | S | S | * | * | | | | 57.5 | 147.7 | 106 | -143.1 | -137.5 | 155.6 | 0 | 0 | 123.1 | | |
| 469 | R | 35.6 | Very low | 33.7 | Very low | 206 Ų | 206 | 144.5 Ų | 144.5 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | | | trans | 86.6 | 153 | 161.5 | -54.1 | -173.4 | -156.5 | 155.8 | 11.5 | 118.9 | | |
| 470 | R | 31.6 | Very low | 33.7 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | | | cis | -164.8 | 169.7 | -19.7 | -101.4 | -91.8 | -179.2 | 161 | -0.9 | 108 | | |
| 471 | L | 32.4 | Very low | 33.5 | Very low | 154 Ų | 154 | 146 Ų | 146 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | | | trans | 12 | 142.9 | 157.5 | -93.2 | 57.1 | 0 | 0 | 0 | 120.8 | | |
| 472 | G | 28.6 | Very low | 33.6 | Very low | 70 Ų | 70 | 148 Ų | 148 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | cis | 147.3 | 164.8 | -4.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 473 | R | 31.4 | Very low | 33.5 | Very low | 245 Ų | 245 | 145.1 Ų | 145.1 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | | | trans | 61.3 | 113.6 | 157.9 | -167.6 | -171.9 | -140.4 | -125.2 | 5.4 | 120.8 | | |
| 474 | T | 31.3 | Very low | 33.3 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | | | trans | -155.4 | 147.8 | 131.1 | 17.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 475 | N | 33.9 | Very low | 33.4 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | -144.8 | 174.7 | 180 | -98.1 | 10.7 | 0 | 0 | 0 | 106.5 | | |
| 476 | P | 53.8 | Low | 33.9 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | cis | -129.8 | -146.9 | 25.9 | 31.3 | -4.1 | 0 | 0 | 0 | 111.4 | | |
| 477 | A | 34.9 | Very low | 33.9 | Very low | 78 Ų | 78 | 141 Ų | 141 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | | | cis | -163.1 | 174.5 | 10.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 478 | Q | 37.3 | Very low | 33.6 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | 68.2 | 139.4 | 159.1 | -72 | -174.1 | -12.9 | 0 | 0 | 118.6 | | |
| 479 | N | 29.8 | Very low | 33.4 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | | | cis | -152.9 | 172.4 | -9.2 | -136.5 | -20.3 | 0 | 0 | 0 | 113.2 | | |
| 480 | Q | 34.2 | Very low | 33.1 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | | | trans | -22.5 | 157.8 | 161.4 | -76.2 | 165.1 | 90.2 | 0 | 0 | 119 | | |
| 481 | S | 29.4 | Very low | 33.1 | Very low | 92 Ų | 92 | 135 Ų | 135 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | cis | -172.3 | 160.9 | 12.1 | 37.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 482 | Q | 32.5 | Very low | 33 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | 70.7 | 124.7 | 146.8 | -76.9 | 173.4 | 30.4 | 0 | 0 | 120.2 | | |
| 483 | V | 28.4 | Very low | 33.3 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | | | | 68.5 | 117.8 | 89.9 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 484 | T | 31.5 | Very low | 33.4 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | | -168.2 | 163.4 | 73.1 | -39 | 0 | 0 | 0 | 0 | 112 | | |
| 485 | A | 32.8 | Very low | 33.4 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | trans | -135.8 | 139.6 | 156 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 486 | P | 42.1 | Very low | 33.4 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | | -156.6 | -167.1 | 111.5 | 36.4 | -14.5 | 0 | 0 | 0 | 115.2 | | |
| 487 | Q | 30.4 | Very low | 32.7 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | 70.5 | 117.7 | 172.1 | -46.9 | -60.7 | -7.4 | 0 | 0 | 115.5 | | |
| 488 | V | 29 | Very low | 33 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | cis | 80.3 | 98.8 | 44 | -177.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 489 | A | 29.8 | Very low | 32.8 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -167 | 118.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 490 | S | 29.5 | Very low | 33.1 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | 44.6 | 112.6 | 139.5 | -174.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 491 | K | 31.3 | Very low | 32.9 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | 63.5 | 128.7 | 136 | -61.8 | 178.1 | -175.4 | 179.8 | 0 | 121.4 | | |
| 492 | G | 30.9 | Very low | 33.1 | Very low | 77 Ų | 77 | 140.6 Ų | 140.6 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | 177.8 | 116.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 493 | H | 34.3 | Very low | 33.3 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -68 | 159.5 | 164 | -62.2 | -82.3 | 0 | 0 | 0 | 109.3 | | |
| 494 | S | 33.7 | Very low | 34.1 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | cis | -151.8 | 175.2 | 10.2 | 59 | 0 | 0 | 0 | 0 | 106.8 | | |
| 495 | G | 32.3 | Very low | 34.2 | Very low | 64 Ų | 64 | 143.9 Ų | 143.9 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | | | cis | 132.1 | 80.7 | 12.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 496 | N | 33.8 | Very low | 34.4 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | | | trans | -162.2 | 98.5 | 159 | -115 | -30 | 0 | 0 | 0 | 113.4 | | |
| 497 | R | 39.1 | Very low | 34 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | -135.2 | 112.4 | 152.7 | -67 | -173.2 | -168.6 | -128 | 4.1 | 107.1 | | |
| 498 | R | 41.3 | Very low | 34.1 | Very low | 236 Ų | 236 | 145.3 Ų | 145.3 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | | | trans | -91.5 | 113.6 | 165.2 | -75.7 | -171.5 | 177.1 | -96.9 | -1 | 108.1 | | |
| 499 | W | 33 | Very low | 34.6 | Very low | 216 Ų | 216 | 148 Ų | 148 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -80.8 | 158.8 | 179.6 | -79.8 | 80.8 | 0 | 0 | 0 | 111.6 | | |
| 500 | C | 35.3 | Very low | 34.8 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | trans | -101.3 | 143.6 | 168.9 | -59 | 0 | 0 | 0 | 0 | 110.3 | | |
| 501 | S | 31.6 | Very low | 35 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | 62.3 | 132.1 | 152.2 | -160.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 502 | N | 32.7 | Very low | 35.1 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | | 157.2 | 128.2 | 126.8 | -74.8 | -15.4 | 0 | 0 | 0 | 107.5 | | |
| 503 | L | 36.6 | Very low | 35.1 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | | 80.3 | 139 | 53.9 | -166.4 | 66.4 | 0 | 0 | 0 | 111.9 | | |
| 504 | E | 44.8 | Very low | 34.8 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -73.5 | 167.7 | -163.8 | -60.1 | 149.7 | 113.5 | 0 | 0 | 114.6 | | |
| 505 | L | 35.2 | Very low | 34.5 | Very low | 174 Ų | 174 | 147 Ų | 147 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | | | trans | 137.8 | 159.5 | 160.2 | -76.7 | 165.4 | 0 | 0 | 0 | 109.3 | | |
| 506 | S | 35.6 | Very low | 34.4 | Very low | 88 Ų | 88 | 148.8 Ų | 148.8 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | | | cis | 173.2 | 134.1 | -38.9 | 178 | 0 | 0 | 0 | 0 | 107.7 | | |
| 507 | Q | 33.5 | Very low | 34.5 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 73.8 | 158.9 | 149.4 | -178.8 | 169.5 | 3.3 | 0 | 0 | 120.6 | | |
| 508 | D | 33.9 | Very low | 34.4 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | 65.1 | 157.3 | 173 | -76.6 | 15.5 | 0 | 0 | 0 | 120.1 | | |
| 509 | E | 38.8 | Very low | 34 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | | | | -163.2 | 157.9 | -51.5 | -178.2 | 158.5 | -133.7 | 0 | 0 | 107.9 | | |
| 510 | G | 34.2 | Very low | 34.1 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | | | trans | 95.7 | 102.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 511 | E | 32.8 | Very low | 33.9 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | | | | 64.1 | 115.3 | 69.9 | -160.5 | 167.5 | -137 | 0 | 0 | 111.5 | | |
| 512 | I | 33.2 | Very low | 33.8 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | | | | -153.6 | 133 | 82 | -83.6 | 162.3 | 0 | 0 | 0 | 112.2 | | |
| 513 | Q | 31.2 | Very low | 33.8 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | | | trans | 28.8 | 121.8 | 144.7 | -48.6 | 163 | 19.1 | 0 | 0 | 118.4 | | |
| 514 | N | 28.6 | Very low | 33.7 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | | | | -166.9 | 164.9 | 72 | -95.4 | -76.1 | 0 | 0 | 0 | 112.6 | | |
| 515 | A | 27.7 | Very low | 33.1 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -130.1 | 143.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 516 | A | 29.1 | Very low | 32.8 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | | | trans | -168.7 | 120.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 517 | Q | 36.2 | Very low | 32.8 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | | | trans | -89.9 | 158.6 | 149.8 | -83.3 | -84.8 | -30.8 | 0 | 0 | 108.2 | | |
| 518 | P | 36.8 | Very low | 32.7 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | | -129.9 | 137.9 | 127.4 | 35.3 | -27.7 | 0 | 0 | 0 | 113.6 | | |
| 519 | H | 33.1 | Very low | 32.4 | Very low | 140 Ų | 140 | 140 Ų | 140 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | | | trans | -107.4 | -173.4 | 171.8 | -59.8 | -78.7 | 0 | 0 | 0 | 110.7 | | |
| 520 | K | 34.5 | Very low | 32.1 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 68% | 0.683 | 74% | 0.74 | S | S | * | * | | | trans | 89.8 | 150 | 150.8 | -42.1 | -160.4 | -174 | 173.2 | 0 | 114.4 | | |
| 521 | R | 31 | Very low | 31.8 | Very low | 206 Ų | 206 | 142.3 Ų | 142.3 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | | | cis | -158.5 | 170.7 | 4.5 | -123.4 | 154.8 | -162.6 | 157.2 | -4.9 | 107.8 | | |
| 522 | S | 30.3 | Very low | 31.4 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | | 166.2 | -179.4 | 79.1 | -161.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 523 | S | 33.2 | Very low | 31.2 | Very low | 66 Ų | 66 | 137.7 Ų | 137.7 | 46% | 0.462 | 75% | 0.747 | S | S | . | * | | | | -167 | 146.5 | -96.3 | 62.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 524 | R | 33.2 | Very low | 31.2 | Very low | 218 Ų | 218 | 139.5 Ų | 139.5 | 82% | 0.823 | 76% | 0.755 | S | S | * | * | | | trans | 67.4 | 160 | 159.7 | -63.5 | 174.9 | -80.5 | -164.7 | -1.5 | 116.6 | | |
| 525 | K | 33 | Very low | 31.2 | Very low | 188 Ų | 188 | 137 Ų | 137 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | | | cis | -124.7 | 164.3 | 9.4 | -79.3 | 98.1 | 166.8 | -168.3 | 0 | 109.9 | | |
| 526 | A | 28.5 | Very low | 31.4 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | | | | 64.8 | 138 | 51.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 527 | R | 35.7 | Very low | 31.4 | Very low | 208 Ų | 208 | 142.3 Ų | 142.3 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | cis | -171 | 154.3 | 42.3 | -146.6 | -168.4 | -58.2 | -154.8 | 6.4 | 113.9 | | |
| 528 | H | 32.3 | Very low | 31.1 | Very low | 158 Ų | 158 | 144 Ų | 144 | 73% | 0.731 | 75% | 0.748 | S | S | * | * | | | trans | 50.9 | 155.7 | 159.6 | -58.7 | -44 | 0 | 0 | 0 | 121.8 | | |
| 529 | G | 27.7 | Very low | 30.6 | Very low | 59 Ų | 59 | 146.7 Ų | 146.7 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | | | cis | 150.4 | 140.8 | -15.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 530 | H | 32.5 | Very low | 30.4 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | | | trans | 68 | 156.1 | 164.7 | -42.3 | -79.6 | 0 | 0 | 0 | 117.2 | | |
| 531 | S | 26.6 | Very low | 30.2 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | cis | -149.5 | -176.8 | 2.2 | -154.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 532 | C | 25.5 | Very low | 30.5 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | -97.2 | 153.1 | -169.7 | -178.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 533 | S | 29.4 | Very low | 30.4 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | 154.7 | 124.1 | 139.4 | -67.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 534 | Q | 30.5 | Very low | 30.1 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | | 82.8 | 101.1 | 50.3 | -173.1 | -175.4 | 78.9 | 0 | 0 | 115 | | |
| 535 | S | 29.4 | Very low | 30 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | trans | -173.8 | 125.2 | 143.6 | 56.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 536 | H | 30.6 | Very low | 29.8 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | trans | 43.1 | 113.3 | 138.7 | -60.5 | -68.7 | 0 | 0 | 0 | 125.1 | | |
| 537 | H | 28.9 | Very low | 29.8 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | | 81.4 | 134.6 | 116.8 | -67.5 | -36.6 | 0 | 0 | 0 | 125.2 | | |
| 538 | Q | 29.3 | Very low | 29.6 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | | | trans | 113.5 | 148.8 | 136.6 | -88.6 | 176.9 | 122.2 | 0 | 0 | 121.4 | | |
| 539 | H | 28.1 | Very low | 29.5 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | | | trans | -57 | 142.5 | -172.1 | -72 | -113.5 | 0 | 0 | 0 | 115.6 | | |
| 540 | A | 28.6 | Very low | 29.7 | Very low | 96 Ų | 96 | 147 Ų | 147 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | | | | -169.4 | 145.3 | 116 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 541 | Q | 29.9 | Very low | 29.5 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -109.9 | 145.4 | 147.8 | -77 | -76.3 | 3.1 | 0 | 0 | 104.7 | | |
| 542 | P | 38 | Very low | 30.4 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 60% | 0.604 | 76% | 0.761 | S | S | * | * | | | | -160.5 | -177.5 | 79.3 | 39.8 | -17.3 | 0 | 0 | 0 | 118.2 | | |
| 543 | W | 27.1 | Very low | 30.7 | Very low | 226 Ų | 226 | 145 Ų | 145 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | 66.9 | 100.3 | 157.6 | -55.2 | 125.5 | 0 | 0 | 0 | 121.4 | | |
| 544 | H | 26.8 | Very low | 30.6 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 73% | 0.731 | 77% | 0.766 | S | S | * | * | | | | 33.3 | 134 | 104.5 | -139.2 | -79.6 | 0 | 0 | 0 | 120.5 | | |
| 545 | L | 32.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | | | | 137.1 | 118.5 | 124.5 | -162.7 | 69.2 | 0 | 0 | 0 | 117 | | |
| 546 | D | 27.6 | Very low | 30.4 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | 62.5 | 154.8 | 148.4 | -65.9 | -5.7 | 0 | 0 | 0 | 126.6 | | |
| 547 | S | 28.6 | Very low | 30.4 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | | | trans | 79 | 150.3 | 152.4 | -66.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 548 | Q | 31.2 | Very low | 30.9 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | cis | -167.4 | 161.9 | -18.6 | -109.1 | 174.9 | 77.5 | 0 | 0 | 107.3 | | |
| 549 | A | 30.6 | Very low | 31 | Very low | 80 Ų | 80 | 142 Ų | 142 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | cis | -174.6 | 144.4 | -36.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 550 | R | 32.4 | Very low | 31.3 | Very low | 243 Ų | 243 | 145.2 Ų | 145.2 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | | | trans | -155.6 | 120.3 | 164.5 | -146.7 | 75.9 | -173.4 | -171.7 | 1.8 | 113.6 | | |
| 551 | A | 28.4 | Very low | 31.6 | Very low | 89 Ų | 89 | 145.5 Ų | 145.5 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | -107.6 | 148.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 552 | P | 45.5 | Very low | 31.8 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | | -144.6 | 173.4 | 102.9 | 36.6 | -21.4 | 0 | 0 | 0 | 112.5 | | |
| 553 | L | 30.9 | Very low | 31.7 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | cis | -166.8 | 139.1 | -27.6 | 178.2 | 71.3 | 0 | 0 | 0 | 105.7 | | |
| 554 | C | 28.8 | Very low | 32.4 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | | | trans | -35.1 | 144.1 | -173.1 | -44.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 555 | H | 28 | Very low | 33.3 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | | -162.3 | 133.4 | 116.5 | -135.7 | -99.1 | 0 | 0 | 0 | 116.1 | | |
| 556 | S | 27.7 | Very low | 33.4 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | trans | 62 | 149.5 | 154.5 | -125.9 | 0 | 0 | 0 | 0 | 125.4 | | |
| 557 | E | 30.2 | Very low | 33.8 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | | | trans | 71.5 | 80 | 148.6 | -142.5 | 164.9 | 177.1 | 0 | 0 | 120.8 | | |
| 558 | E | 38 | Very low | 34.2 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | | 39.9 | 109.3 | 119.3 | -62.2 | 172 | -116.3 | 0 | 0 | 120.1 | | |
| 559 | G | 32.3 | Very low | 35.3 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -176.3 | 109 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 560 | Y | 34.6 | Very low | 35.4 | Very low | 250 Ų | 250 | 138.4 Ų | 138.4 | 98% | 0.98 | 83% | 0.827 | S | S | * | * | | | trans | -85.4 | 130.1 | -179.8 | -107 | -96.8 | 0 | 0 | 0 | 112.3 | | |
| 561 | A | 34.5 | Very low | 35.8 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | | | trans | -138.7 | 120.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 562 | G | 34.7 | Very low | 36.1 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 144.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 563 | A | 36.5 | Very low | 35.7 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 152.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 564 | A | 40.6 | Very low | 36.5 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -88 | 154.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 565 | P | 45.7 | Very low | 37.6 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 85% | 0.846 | S | S | * | * | | | trans | -124.9 | 144.9 | 160.2 | 35.9 | -23.4 | 0 | 0 | 0 | 114 | | |
| 566 | A | 34.2 | Very low | 38.1 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | | | trans | -42.2 | 143.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 567 | E | 37 | Very low | 38.5 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | | | trans | -71 | 164 | 159.1 | 62.2 | -151.3 | 97.1 | 0 | 0 | 112.3 | | |
| 568 | S | 36.1 | Very low | 39.3 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | | | trans | -143.7 | 139.4 | -175.8 | -70.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 569 | E | 53.9 | Low | 40 | Very low | 190 Ų | 190 | 136.5 Ų | 136.5 | 89% | 0.888 | 84% | 0.839 | S | S | * | * | | | trans | -89.4 | 141.1 | -168.4 | -47.3 | 171.5 | 119.8 | 0 | 0 | 112.5 | | |
| 570 | S | 33.3 | Very low | 40.1 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 84% | 0.836 | S | S | * | * | | | trans | -165.8 | 119.9 | 153.9 | -96.8 | 0 | 0 | 0 | 0 | 117 | | |
| 571 | S | 41.6 | Very low | 40.1 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | | | | 57.1 | 100.8 | 127.7 | -52.5 | 0 | 0 | 0 | 0 | 120 | | |
| 572 | M | 33.7 | Very low | 40.2 | Very low | 197 Ų | 197 | 132.8 Ų | 132.8 | 97% | 0.97 | 83% | 0.831 | S | S | * | * | | | trans | -85.8 | 153.4 | 155 | -63 | 177.9 | 69.6 | 0 | 0 | 111 | | |
| 573 | S | 36.9 | Very low | 40.5 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | | | trans | -129.3 | 133.6 | 171 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 574 | E | 49.2 | Very low | 40.3 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 94% | 0.935 | 83% | 0.832 | S | S | * | * | | | trans | -90.4 | 138.9 | -178.8 | -63.6 | -179.1 | 101.5 | 0 | 0 | 111.7 | | |
| 575 | V | 50.5 | Low | 40.4 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | | | trans | -131.3 | 129.8 | 168.3 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 576 | Y | 38.3 | Very low | 40.7 | Very low | 210 Ų | 210 | 138.9 Ų | 138.9 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | | | trans | -127.1 | 131.9 | -170.9 | -178.3 | -81.8 | 0 | 0 | 0 | 111.5 | | |
| 577 | S | 36.1 | Very low | 41.2 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 82% | 0.824 | S | S | * | * | | | trans | 141.8 | 161.5 | 160.5 | -71.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 578 | P | 48.5 | Very low | 42.3 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 82% | 0.822 | S | S | * | * | | | cis | -128.3 | 168.1 | -42.1 | 37.7 | -23.9 | 0 | 0 | 0 | 111.4 | | |
| 579 | P | 51.6 | Low | 42.6 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | trans | -81.1 | 139.2 | 178.4 | 32.2 | -34.2 | 0 | 0 | 0 | 113 | | |
| 580 | S | 33.8 | Very low | 42.5 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | | | trans | -149.1 | 113.8 | 167.8 | -80.6 | 0 | 0 | 0 | 0 | 113 | | |
| 581 | S | 35.8 | Very low | 42.9 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | 22.1 | 114.2 | 144.1 | -53.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 582 | S | 36.1 | Very low | 43.3 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -92.8 | 148.4 | 153.9 | -57.1 | 0 | 0 | 0 | 0 | 111 | | |
| 583 | L | 40 | Very low | 43.9 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -107.4 | 128.4 | 163.7 | -70.2 | 169.3 | 0 | 0 | 0 | 107.8 | | |
| 584 | S | 34.1 | Very low | 44.8 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -78.7 | 150.3 | 176.3 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 585 | S | 41.8 | Very low | 44.5 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -109 | 148.4 | 168.3 | -161.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 586 | D | 52 | Low | 44.4 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | | | trans | -148.9 | 127.2 | -172.5 | -176.3 | -5.2 | 0 | 0 | 0 | 106.5 | K17 | K17-D586 IonicContact NZ-OD2 2.77Å; K17-D586 PolarHBondContact NZ-OD2 2.89Å |
| 587 | S | 44.3 | Very low | 44.5 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -165.6 | 121.2 | -171 | 177 | 0 | 0 | 0 | 0 | 112.2 | | |
| 588 | D | 59.9 | Low | 44.6 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | trans | -158.8 | 176.5 | 158.2 | -143.3 | -65 | 0 | 0 | 0 | 110.8 | | |
| 589 | E | 43.8 | Very low | 44.3 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | 72.2 | 84 | 172.1 | -155.7 | 69.5 | 100.5 | 0 | 0 | 118.9 | | |
| 590 | S | 50.7 | Low | 43.8 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | | 36.9 | 91.8 | 127.6 | -45.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 591 | G | 41.3 | Very low | 44.1 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | trans | -162.6 | 99 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L593 | G591-L593 PolarHBondContact O-N 2.91Š|
| 592 | G | 51.5 | Low | 43.9 | Very low | 86 Ų | 86 | 140.6 Ų | 140.6 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | trans | -67.7 | 99.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 593 | L | 46.5 | Very low | 43.8 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | -138.6 | 125.9 | 163 | -70.6 | 176.8 | 0 | 0 | 0 | 109.8 | G591 W595 | G591-L593 PolarHBondContact O-N 2.91Å; L593-W595 PolarHBondContact O-N 3.13Å |
| 594 | V | 54.1 | Low | 43.2 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 118.6 | 173.5 | 170.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 595 | W | 44.3 | Very low | 43 | Very low | 230 Ų | 230 | 138.6 Ų | 138.6 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 131.8 | 173.8 | -74.1 | 94.2 | 0 | 0 | 0 | 110.9 | L593 Q597 | L593-W595 PolarHBondContact O-N 3.13Å; W595-Q597 PolarHBondContact O-N 3.01Å |
| 596 | P | 48.7 | Very low | 42.5 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 127 | 179.9 | 29.6 | -34 | 0 | 0 | 0 | 111.1 | Q598 | P596-Q598 PolarHBondContact O-N 3.36Å; P596-Q598 VanDerWaalsContact O-N 3.09Å |
| 597 | Q | 39.2 | Very low | 41.4 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -66.7 | 108.7 | 178.2 | -170.7 | 157.7 | 8.1 | 0 | 0 | 110.9 | W595 L599 | W595-Q597 PolarHBondContact O-N 3.01Å; Q597-L599 VanDerWaalsContact C-N 3.34Å; Q597-L599 PolarHBondContact O-N 3.31Å |
| 598 | Q | 39.2 | Very low | 40.8 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -75.9 | 82.8 | -178.3 | -68.3 | -167.4 | 8.9 | 0 | 0 | 111.9 | P596 | P596-Q598 PolarHBondContact O-N 3.36Å; P596-Q598 VanDerWaalsContact O-N 3.09Å |
| 599 | L | 40.7 | Very low | 39.6 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | | | trans | -59.4 | 149.7 | 156.7 | -71.8 | 169.1 | 0 | 0 | 0 | 110.1 | Q597 | Q597-L599 VanDerWaalsContact C-N 3.34Å; Q597-L599 PolarHBondContact O-N 3.31Å |
| 600 | P | 42.5 | Very low | 39.1 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | | | trans | -54.9 | 139.3 | 175.7 | -26.1 | 34.9 | 0 | 0 | 0 | 111.8 | R602 | P600-R602 PolarHBondContact O-N 2.84Š|
| 601 | P | 38.8 | Very low | 38.4 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -64.8 | 85.3 | -174.6 | -25.2 | 35.8 | 0 | 0 | 0 | 114.6 | L603 | P601-L603 PolarHBondContact O-N 3.23Š|
| 602 | R | 32.2 | Very low | 37.9 | Very low | 244 Ų | 244 | 136.8 Ų | 136.8 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | | | trans | -70 | 106.4 | 159.7 | -91.5 | -164.6 | 167.6 | -140.5 | -1.5 | 108.5 | P600 A604 | P600-R602 PolarHBondContact O-N 2.84Å; R602-A604 PolarHBondContact O-N 3.38Å |
| 603 | L | 33.7 | Very low | 36.8 | Very low | 163 Ų | 163 | 138 Ų | 138 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | -58.3 | 119.4 | 166.4 | -64.9 | 173.9 | 0 | 0 | 0 | 108.7 | P601 S605 | P601-L603 PolarHBondContact O-N 3.23Å; L603-S605 PolarHBondContact O-N 3.36Å |
| 604 | A | 28.8 | Very low | 36.9 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | | | trans | -73.4 | 107.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | R602 T606 | R602-A604 PolarHBondContact O-N 3.38Å; A604-T606 PolarHBondContact O-N 3.02Å |
| 605 | S | 29.7 | Very low | 35.8 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -67.8 | 118.3 | 168.7 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | L603 S607 | L603-S605 PolarHBondContact O-N 3.36Å; S605-S607 PolarHBondContact O-N 2.75Å; S605-S607 VanDerWaalsContact O-N 3.16Å |
| 606 | T | 29.9 | Very low | 35.3 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -70.9 | 104.8 | 169.5 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | A604 S608 | A604-T606 PolarHBondContact O-N 3.02Å; T606-S608 PolarHBondContact O-N 2.97Å; T606-S608 VanDerWaalsContact O-N 3.15Å |
| 607 | S | 30.6 | Very low | 34.6 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -70 | 105.4 | -179.6 | -66.5 | 0 | 0 | 0 | 0 | 112.5 | S605 | S605-S607 PolarHBondContact O-N 2.75Å; S605-S607 VanDerWaalsContact O-N 3.16Å |
| 608 | S | 30.9 | Very low | 34.8 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | trans | -142.4 | 105.1 | 162.4 | -78.8 | 0 | 0 | 0 | 0 | 111.6 | T606 | T606-S608 PolarHBondContact O-N 2.97Å; T606-S608 VanDerWaalsContact O-N 3.15Å |
| 609 | S | 35 | Very low | 34.5 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 66.5 | 151 | 161.3 | 56.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 610 | S | 32.5 | Very low | 34.4 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | 62.8 | 82.9 | 164.1 | 52 | 0 | 0 | 0 | 0 | 120.7 | | |
| 611 | S | 35.5 | Very low | 34 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | | 51.7 | 138.2 | 116.3 | 63.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 612 | A | 31.6 | Very low | 34.4 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | | | trans | 84.2 | 154.8 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 613 | S | 29 | Very low | 35 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -151.1 | 179.8 | -162.8 | -167.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 614 | P | 48.3 | Very low | 35.5 | Very low | 117 Ų | 117 | 117.6 Ų | 117.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | | -117.3 | 170.2 | -65.6 | 36.1 | -25.3 | 0 | 0 | 0 | 111.7 | | |
| 615 | Q | 31.2 | Very low | 36.8 | Very low | 193 Ų | 193 | 121 Ų | 121 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -144.9 | 135.6 | 153.9 | -160.4 | 168.1 | 10 | 0 | 0 | 112.1 | | |
| 616 | A | 33.1 | Very low | 37.8 | Very low | 93 Ų | 93 | 120 Ų | 120 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -91.6 | 137.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 617 | T | 33.8 | Very low | 39.1 | Very low | 135 Ų | 135 | 122 Ų | 122 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | | | trans | -137.2 | 136 | 154.4 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 618 | A | 43 | Very low | 40.8 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -83.2 | 131.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 619 | S | 33.8 | Very low | 43 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | -140.7 | 145.9 | 167.7 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 620 | A | 38.8 | Very low | 44.9 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -79.8 | 138.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T622 | A620-T622 PolarHBondContact O-N 3.18Š|
| 621 | A | 34.8 | Very low | 47.4 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | | | trans | -65.9 | 104.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q623 | A621-Q623 PolarHBondContact O-N 2.91Š|
| 622 | T | 45.3 | Very low | 49.6 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | -74.1 | 83.9 | 174.7 | 30.2 | 0 | 0 | 0 | 0 | 111.6 | A620 | A620-T622 PolarHBondContact O-N 3.18Š|
| 623 | Q | 45.7 | Very low | 52.2 | Low | 152 Ų | 152 | 128 Ų | 128 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | | | trans | -57.4 | 126.7 | 174.4 | -69.6 | -67.8 | -6.9 | 0 | 0 | 112 | A621 K625 | A621-Q623 PolarHBondContact O-N 2.91Å; Q623-K625 PolarHBondContact O-N 3.09Å; Q623-K625 VanDerWaalsContact O-N 3.09Å |
| 624 | P | 44.6 | Very low | 55 | Low | 115 Ų | 115 | 129.3 Ų | 129.3 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | | | trans | -72.8 | 103.6 | -178.5 | 28.6 | -33.8 | 0 | 0 | 0 | 111.1 | A626 | P624-A626 PolarHBondContact O-N 3.48Š|
| 625 | K | 55 | Low | 57 | Low | 168 Ų | 168 | 127 Ų | 127 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | | | trans | -69.8 | 93.4 | 178.2 | -73.7 | 179 | 177.1 | 173.5 | 0 | 111.5 | Q623 F627 | Q623-K625 PolarHBondContact O-N 3.09Å; Q623-K625 VanDerWaalsContact O-N 3.09Å; K625-F627 HydrophobicContact CB-CE2 4.2Å; K625-F627 HydrophobicContact CB-CZ 4.25Å; K625-F627 WeakPolarHBondContact O-CD2 3.35Å; K625-F627 WeakPolarHBondContact O-CE2 3.41Å; K625-F627 PolarHBondContact O-N 2.9Å; K625-F627 VanDerWaalsContact O-N 3.12Å |
| 626 | A | 51.9 | Low | 59.7 | Low | 90 Ų | 90 | 121.8 Ų | 121.8 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | | | trans | -66.3 | 104.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | P624 V628 | P624-A626 PolarHBondContact O-N 3.48Å; A626-V628 PolarHBondContact O-N 2.86Å |
| 627 | F | 57 | Low | 62.4 | Low | 178 Ų | 178 | 123.1 Ų | 123.1 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | | | trans | -79.3 | 85.6 | -177.8 | -69.7 | -80.2 | 0 | 0 | 0 | 112.7 | K625 K629 | K625-F627 HydrophobicContact CB-CE2 4.2Å; K625-F627 HydrophobicContact CB-CZ 4.25Å; K625-F627 WeakPolarHBondContact O-CD2 3.35Å; K625-F627 WeakPolarHBondContact O-CE2 3.41Å; K625-F627 PolarHBondContact O-N 2.9Å; K625-F627 VanDerWaalsContact O-N 3.12Å; F627-K629 PolarHBondContact O-N 3.45Å; F627-K629 VanDerWaalsContact O-N 3.15Å |
| 628 | V | 65.1 | Low | 64.8 | Low | 122 Ų | 122 | 122.5 Ų | 122.5 | 74% | 0.739 | 70% | 0.696 | S | S | * | * | | | trans | -65.6 | 109.4 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | A626 I630 | A626-V628 PolarHBondContact O-N 2.86Å; V628-I630 HydrophobicContact CG1-CG1 4.08Å; V628-I630 PolarHBondContact O-N 3.33Å; V628-I630 VanDerWaalsContact O-N 3.13Å |
| 629 | K | 77.4 | Confident | 66.9 | Low | 197 Ų | 197 | 124.2 Ų | 124.2 | 86% | 0.857 | 68% | 0.683 | S | S | * | * | | | trans | -82.6 | 82.3 | 177.6 | -75.1 | 178.8 | 178.1 | 170.3 | 0 | 111.8 | F627 K631 | F627-K629 PolarHBondContact O-N 3.45Å; F627-K629 VanDerWaalsContact O-N 3.15Å; K629-K631 PolarHBondContact O-N 3.37Å |
| 630 | I | 75.8 | Confident | 69.2 | Low | 147 Ų | 147 | 122.2 Ų | 122.2 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | | | trans | -64.7 | 122.1 | 174.9 | -56.2 | 177.2 | 0 | 0 | 0 | 110.5 | V628 A632 | V628-I630 HydrophobicContact CG1-CG1 4.08Å; V628-I630 PolarHBondContact O-N 3.33Å; V628-I630 VanDerWaalsContact O-N 3.13Å; I630-A632 PolarHBondContact O-N 2.89Å; I630-A632 VanDerWaalsContact O-N 3.14Å |
| 631 | K | 83.8 | Confident | 71.2 | Confident | 204 Ų | 204 | 121.9 Ų | 121.9 | 89% | 0.887 | 65% | 0.647 | S | S | * | * | | | trans | -81 | 86.6 | 175 | -73.2 | 178.8 | 65.6 | -179.3 | 0 | 111 | K629 | K629-K631 PolarHBondContact O-N 3.37Š|
| 632 | A | 82.5 | Confident | 73.1 | Confident | 46 Ų | 46 | 127.2 Ų | 127.2 | 38% | 0.38 | 65% | 0.648 | S | S | . | * | | | trans | -67.2 | 149 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I630 L636 | I630-A632 PolarHBondContact O-N 2.89Å; I630-A632 VanDerWaalsContact O-N 3.14Å; A632-L636 HydrophobicContact CB-CB 4.28Å; A632-L636 HydrophobicContact CB-CD2 3.93Å; A632-L636 HydrophobicContact CB-CG 4.06Å |
| 633 | S | 86.8 | Confident | 74.4 | Confident | 74 Ų | 74 | 127.3 Ų | 127.3 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | | | trans | -62.1 | 158.2 | 172.8 | 73.9 | 0 | 0 | 0 | 0 | 111.9 | A635 L636 K637 | S633-A635 VanDerWaalsContact C-N 3.26Å; S633-A635 PolarHBondContact O-N 2.93Å; S633-L636 PolarHBondContact O-N 3.32Å; S633-L636 VanDerWaalsContact O-N 3.15Å; S633-L636 WeakPolarHBondContact OG-CB 3.42Å; S633-L636 PolarHBondContact OG-N 3.2Å; S633-K637 WeakPolarHBondContact O-CB 3.33Å; S633-K637 PolarHBondContact O-N 3.2Å |
| 634 | H | 88.3 | Confident | 75.6 | Confident | 139 Ų | 139 | 129.7 Ų | 129.7 | 64% | 0.644 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -57.9 | -38.5 | -179.6 | -179.2 | -133.8 | 0 | 0 | 0 | 112.7 | K638 | H634-K638 WeakPolarHBondContact O-CB 3.46Å; H634-K638 WeakPolarHBondContact O-CG 3.31Å; H634-K638 PolarHBondContact O-N 3.03Å |
| 635 | A | 88.9 | Confident | 76.4 | Confident | 67 Ų | 67 | 130 Ų | 130 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.3 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S633 K638 K639 | S633-A635 VanDerWaalsContact C-N 3.26Å; S633-A635 PolarHBondContact O-N 2.93Å; A635-K638 PolarHBondContact O-N 3.32Å; A635-K639 PolarHBondContact O-N 3.2Å |
| 636 | L | 88.3 | Confident | 76.6 | Confident | 85 Ų | 85 | 124.1 Ų | 124.1 | 45% | 0.445 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.8 | -42.2 | 177.4 | -179.9 | 57.4 | 0 | 0 | 0 | 111.5 | A632 S633 K638 K639 I640 | A632-L636 HydrophobicContact CB-CB 4.28Å; A632-L636 HydrophobicContact CB-CD2 3.93Å; A632-L636 HydrophobicContact CB-CG 4.06Å; S633-L636 PolarHBondContact O-N 3.32Å; S633-L636 VanDerWaalsContact O-N 3.15Å; S633-L636 WeakPolarHBondContact OG-CB 3.42Å; S633-L636 PolarHBondContact OG-N 3.2Å; L636-K638 VanDerWaalsContact C-N 3.32Å; L636-K638 PolarHBondContact O-N 2.94Å; L636-K639 PolarHBondContact O-N 3.09Å; L636-I640 HydrophobicContact CD1-CD1 3.91Å; L636-I640 HydrophobicContact CD1-CG1 4.16Å; L636-I640 HydrophobicContact CG-CD1 3.88Å; L636-I640 WeakPolarHBondContact O-CG1 3.46Å; L636-I640 PolarHBondContact O-N 3.37Å |
| 637 | K | 89.9 | Confident | 76.7 | Confident | 121 Ų | 121 | 125.5 Ų | 125.5 | 53% | 0.526 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -57.6 | -42.6 | 172.7 | -175 | -179.7 | 177.4 | -175.5 | 0 | 111.5 | S633 L641 | S633-K637 WeakPolarHBondContact O-CB 3.33Å; S633-K637 PolarHBondContact O-N 3.2Å; K637-L641 HydrophobicContact CG-CD1 4.32Å; K637-L641 WeakPolarHBondContact O-CB 3.3Å; K637-L641 PolarHBondContact O-N 2.94Å |
| 638 | K | 85.3 | Confident | 76.8 | Confident | 122 Ų | 122 | 123.1 Ų | 123.1 | 53% | 0.53 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.7 | -38.4 | 175.3 | -78.2 | -178.6 | 67.6 | 171.1 | 0 | 113.1 | H634 A635 L636 R642 | H634-K638 WeakPolarHBondContact O-CB 3.46Å; H634-K638 WeakPolarHBondContact O-CG 3.31Å; H634-K638 PolarHBondContact O-N 3.03Å; A635-K638 PolarHBondContact O-N 3.32Å; L636-K638 VanDerWaalsContact C-N 3.32Å; L636-K638 PolarHBondContact O-N 2.94Å; K638-R642 WeakPolarHBondContact O-CG 3.25Å; K638-R642 PolarHBondContact O-N 3.15Å |
| 639 | K | 85.4 | Confident | 76.5 | Confident | 145 Ų | 145 | 125 Ų | 125 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.8 | -52.1 | 171.8 | -75.6 | -171.4 | 175.9 | -173.6 | 0 | 110.7 | A635 L636 L641 R642 F643 | A635-K639 PolarHBondContact O-N 3.2Å; L636-K639 PolarHBondContact O-N 3.09Å; K639-L641 PolarHBondContact O-N 3.26Å; K639-R642 PolarHBondContact O-N 3.14Å; K639-F643 WeakPolarHBondContact O-CD2 3.43Å |
| 640 | I | 83.4 | Confident | 75.7 | Confident | 73 Ų | 73 | 120.9 Ų | 120.9 | 37% | 0.374 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.7 | -41.4 | -179.8 | -66.5 | 168.6 | 0 | 0 | 0 | 111.8 | L636 R642 F643 R644 | L636-I640 HydrophobicContact CD1-CD1 3.91Å; L636-I640 HydrophobicContact CD1-CG1 4.16Å; L636-I640 HydrophobicContact CG-CD1 3.88Å; L636-I640 WeakPolarHBondContact O-CG1 3.46Å; L636-I640 PolarHBondContact O-N 3.37Å; I640-R642 VanDerWaalsContact C-N 3.32Å; I640-R642 PolarHBondContact O-N 3.21Å; I640-F643 PolarHBondContact O-N 3.16Å; I640-R644 HydrophobicContact CG2-CG 4.34Å; I640-R644 WeakPolarHBondContact O-CG 3.42Å; I640-R644 PolarHBondContact O-N 3.06Å |
| 641 | L | 79.5 | Confident | 74.5 | Confident | 88 Ų | 88 | 120.3 Ų | 120.3 | 46% | 0.461 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.9 | -37.3 | 178.3 | -109.3 | 65.9 | 0 | 0 | 0 | 112.9 | K637 K639 F643 R644 T645 | K637-L641 HydrophobicContact CG-CD1 4.32Å; K637-L641 WeakPolarHBondContact O-CB 3.3Å; K637-L641 PolarHBondContact O-N 2.94Å; K639-L641 PolarHBondContact O-N 3.26Å; L641-F643 PolarHBondContact O-N 2.79Å; L641-R644 PolarHBondContact O-N 2.78Å; L641-T645 PolarHBondContact O-N 3.16Å; L641-T645 PolarHBondContact O-OG1 3.31Å |
| 642 | R | 76.3 | Confident | 73.4 | Confident | 198 Ų | 198 | 115.9 Ų | 115.9 | 75% | 0.747 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.6 | -33.9 | 176.4 | -76.2 | 178.9 | 167.9 | -141.6 | -4.3 | 112.7 | K638 K639 I640 | K638-R642 WeakPolarHBondContact O-CG 3.25Å; K638-R642 PolarHBondContact O-N 3.15Å; K639-R642 PolarHBondContact O-N 3.14Å; I640-R642 VanDerWaalsContact C-N 3.32Å; I640-R642 PolarHBondContact O-N 3.21Å |
| 643 | F | 71.5 | Confident | 71.8 | Confident | 143 Ų | 143 | 119.6 Ų | 119.6 | 63% | 0.627 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -83.7 | -6.8 | 174.5 | -59.5 | -67 | 0 | 0 | 0 | 114.2 | K639 I640 L641 | K639-F643 WeakPolarHBondContact O-CD2 3.43Å; I640-F643 PolarHBondContact O-N 3.16Å; L641-F643 PolarHBondContact O-N 2.79Å |
| 644 | R | 71.6 | Confident | 69.8 | Low | 201 Ų | 201 | 125.9 Ų | 125.9 | 76% | 0.758 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -102.4 | -13.8 | 179.9 | -71.7 | -179.1 | 68.4 | 144.4 | 3.9 | 114.3 | I640 L641 | I640-R644 HydrophobicContact CG2-CG 4.34Å; I640-R644 WeakPolarHBondContact O-CG 3.42Å; I640-R644 PolarHBondContact O-N 3.06Å; L641-R644 PolarHBondContact O-N 2.78Å |
| 645 | T | 60.7 | Low | 68.9 | Low | 123 Ų | 123 | 125.2 Ų | 125.2 | 76% | 0.755 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -106.5 | -15.4 | 179.4 | 56.3 | 0 | 0 | 0 | 0 | 114 | L641 | L641-T645 PolarHBondContact O-N 3.16Å; L641-T645 PolarHBondContact O-OG1 3.31Å |
| 646 | G | 59.5 | Low | 67.8 | Low | 43 Ų | 43 | 128.3 Ų | 128.3 | 44% | 0.443 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -100.2 | 142.8 | 166 | 0 | 0 | 0 | 0 | 0 | 110 | L648 | G646-L648 PolarHBondContact O-N 3.02Å; G646-L648 VanDerWaalsContact O-N 3.17Å |
| 647 | S | 54.3 | Low | 66.7 | Low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | | | trans | -62.6 | 117.2 | 169.4 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | K649 | S647-K649 PolarHBondContact O-N 2.93Š|
| 648 | L | 59.3 | Low | 65.3 | Low | 129 Ų | 129 | 131.2 Ų | 131.2 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | | | trans | -73.9 | 74.5 | 173 | -172.2 | 69.9 | 0 | 0 | 0 | 108.4 | G646 V650 | G646-L648 PolarHBondContact O-N 3.02Å; G646-L648 VanDerWaalsContact O-N 3.17Å; L648-V650 VanDerWaalsContact C-N 3.29Å; L648-V650 PolarHBondContact O-N 3.41Å |
| 649 | K | 58.9 | Low | 64.1 | Low | 162 Ų | 162 | 131.8 Ų | 131.8 | 70% | 0.704 | 69% | 0.689 | S | S | * | * | | | trans | -67.7 | 89.8 | 177.3 | -173.5 | -172.7 | 178.1 | -172 | 0 | 108.4 | S647 M651 | S647-K649 PolarHBondContact O-N 2.93Å; K649-M651 VanDerWaalsContact C-N 3.33Å; K649-M651 HydrophobicContact CD-CG 4.14Å; K649-M651 HydrophobicContact CG-CG 4.22Å; K649-M651 PolarHBondContact O-N 3.1Å |
| 650 | V | 60.8 | Low | 62.6 | Low | 109 Ų | 109 | 130.9 Ų | 130.9 | 66% | 0.661 | 69% | 0.693 | S | S | * | * | | | trans | -60.2 | 99.3 | 166.4 | -178.3 | 0 | 0 | 0 | 0 | 106.9 | L648 T652 | L648-V650 VanDerWaalsContact C-N 3.29Å; L648-V650 PolarHBondContact O-N 3.41Å; V650-T652 PolarHBondContact O-N 3.35Å |
| 651 | M | 50.3 | Low | 61.1 | Low | 135 Ų | 135 | 135.1 Ų | 135.1 | 67% | 0.665 | 72% | 0.716 | S | S | * | * | | | trans | -78.8 | 82 | 170.1 | -82.1 | 180 | 48.7 | 0 | 0 | 108 | K649 T653 | K649-M651 VanDerWaalsContact C-N 3.33Å; K649-M651 HydrophobicContact CD-CG 4.14Å; K649-M651 HydrophobicContact CG-CG 4.22Å; K649-M651 PolarHBondContact O-N 3.1Å; M651-T653 VanDerWaalsContact C-N 3.32Å; M651-T653 PolarHBondContact O-N 3.18Å |
| 652 | T | 60.6 | Low | 59.7 | Low | 111 Ų | 111 | 138.7 Ų | 138.7 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | | | trans | -65.1 | 96.1 | 163.6 | -43.1 | 0 | 0 | 0 | 0 | 107.5 | V650 | V650-T652 PolarHBondContact O-N 3.35Š|
| 653 | T | 48.3 | Very low | 58.4 | Low | 124 Ų | 124 | 133.8 Ų | 133.8 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | | | trans | -71.9 | 124.2 | 169.8 | 48.5 | 0 | 0 | 0 | 0 | 108.4 | M651 | M651-T653 VanDerWaalsContact C-N 3.32Å; M651-T653 PolarHBondContact O-N 3.18Å |
| 654 | V | 44.5 | Very low | 57.2 | Low | 206 Ų | 206 | 132.9 Ų | 132.9 | 100% | 1.248 | 74% | 0.744 | S | S | * | * | | | trans | -97.4 | 0 | 175 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | | |