| 1 | M | 58.4 | Low | 80.8 | Confident | 217 Ų | 217 | 119.6 Ų | 119.6 | 100% | 1.069 | 62% | 0.624 | S | S | * | * | | | | 0 | 61.2 | 0 | -60.9 | 148.4 | 73.3 | 0 | 0 | 109.4 | | |
| 2 | V | 60.3 | Low | 81.7 | Confident | 122 Ų | 122 | 117.2 Ų | 117.2 | 74% | 0.739 | 62% | 0.617 | S | S | * | * | | | trans | -102.9 | -18.3 | -173.3 | 126.3 | 0 | 0 | 0 | 0 | 112.5 | W4 R6 | V2-W4 VanDerWaalsContact C-N 3.35Å; V2-R6 WeakPolarHBondContact O-CG 3.28Å |
| 3 | S | 75.1 | Confident | 82.2 | Confident | 95 Ų | 95 | 114.3 Ų | 114.3 | 66% | 0.664 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.2 | -27.1 | -179.6 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | R6 F7 | S3-R6 PolarHBondContact O-N 2.98Å; S3-F7 VanDerWaalsContact O-CB 3.28Å; S3-F7 WeakPolarHBondContact O-CB 3.48Å; S3-F7 PolarHBondContact O-N 3.39Å |
| 4 | W | 80.9 | Confident | 82.6 | Confident | 179 Ų | 179 | 111.6 Ų | 111.6 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.7 | -46.2 | -176.6 | -161.3 | 2.9 | 0 | 0 | 0 | 112.4 | V2 R6 F7 I8 | V2-W4 VanDerWaalsContact C-N 3.35Å; W4-R6 VanDerWaalsContact C-N 3.31Å; W4-R6 PolarHBondContact O-N 2.91Å; W4-F7 PolarHBondContact O-N 3.45Å; W4-I8 WeakPolarHBondContact O-CG1 3.37Å; W4-I8 PolarHBondContact O-N 3.24Å |
| 5 | G | 86.2 | Confident | 82.8 | Confident | 51 Ų | 51 | 112.1 Ų | 112.1 | 53% | 0.526 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.2 | -36.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C9 | G5-C9 VanDerWaalsContact O-CB 3.29Å; G5-C9 WeakPolarHBondContact O-CB 3.47Å; G5-C9 PolarHBondContact O-N 3.32Å |
| 6 | R | 85.5 | Confident | 83 | Confident | 186 Ų | 186 | 108.5 Ų | 108.5 | 70% | 0.702 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.4 | -40.4 | 175.7 | -64 | -70.1 | 159.1 | 160.6 | -4.6 | 111.4 | V2 S3 W4 C9 L10 | V2-R6 WeakPolarHBondContact O-CG 3.28Å; S3-R6 PolarHBondContact O-N 2.98Å; W4-R6 VanDerWaalsContact C-N 3.31Å; W4-R6 PolarHBondContact O-N 2.91Å; R6-C9 WeakPolarHBondContact O-CB 3.31Å; R6-C9 PolarHBondContact O-N 3.38Å; R6-L10 WeakPolarHBondContact O-CG 3.34Å; R6-L10 PolarHBondContact O-N 3.48Å |
| 7 | F | 86.1 | Confident | 83.1 | Confident | 130 Ų | 130 | 106.4 Ų | 106.4 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.8 | -48.6 | 176.6 | -172.8 | -98.9 | 0 | 0 | 0 | 112.2 | S3 W4 C9 L10 V11 | S3-F7 VanDerWaalsContact O-CB 3.28Å; S3-F7 WeakPolarHBondContact O-CB 3.48Å; S3-F7 PolarHBondContact O-N 3.39Å; W4-F7 PolarHBondContact O-N 3.45Å; F7-C9 VanDerWaalsContact C-N 3.28Å; F7-C9 PolarHBondContact O-N 2.97Å; F7-L10 PolarHBondContact O-N 2.99Å; F7-V11 HydrophobicContact CD1-CG2 4.44Å; F7-V11 HydrophobicContact CE1-CG2 4.15Å; F7-V11 HydrophobicContact CZ-CG2 4.42Å; F7-V11 WeakPolarHBondContact O-CG2 3.28Å; F7-V11 PolarHBondContact O-N 3.24Å; F7-V11 VanDerWaalsContact O-N 3.1Å |
| 8 | I | 87.7 | Confident | 82.6 | Confident | 85 Ų | 85 | 106 Ų | 106 | 44% | 0.436 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.9 | -40 | 176 | -62.4 | -62 | 0 | 0 | 0 | 110.9 | W4 L10 V11 V12 | W4-I8 WeakPolarHBondContact O-CG1 3.37Å; W4-I8 PolarHBondContact O-N 3.24Å; I8-L10 PolarHBondContact O-N 2.74Å; I8-V11 PolarHBondContact O-N 3.17Å; I8-V12 HydrophobicContact CG2-CG2 4.31Å; I8-V12 VanDerWaalsContact O-CG2 3.31Å; I8-V12 WeakPolarHBondContact O-CG2 3.29Å; I8-V12 PolarHBondContact O-N 3.01Å |
| 9 | C | 88.8 | Confident | 81.9 | Confident | 71 Ų | 71 | 105.5 Ų | 105.5 | 48% | 0.48 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.2 | -44 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | G5 R6 F7 V11 V12 V13 | G5-C9 VanDerWaalsContact O-CB 3.29Å; G5-C9 WeakPolarHBondContact O-CB 3.47Å; G5-C9 PolarHBondContact O-N 3.32Å; R6-C9 WeakPolarHBondContact O-CB 3.31Å; R6-C9 PolarHBondContact O-N 3.38Å; F7-C9 VanDerWaalsContact C-N 3.28Å; F7-C9 PolarHBondContact O-N 2.97Å; C9-V11 PolarHBondContact O-N 2.97Å; C9-V12 PolarHBondContact O-N 3.33Å; C9-V13 VanDerWaalsContact O-CG2 3.28Å; C9-V13 WeakPolarHBondContact O-CG2 3.49Å; C9-V13 PolarHBondContact O-N 3.5Å |
| 10 | L | 90.1 | Very high | 81.1 | Confident | 116 Ų | 116 | 107.5 Ų | 107.5 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.4 | -46 | 176.4 | -68.2 | 175.2 | 0 | 0 | 0 | 111.5 | R6 F7 I8 V12 V13 T14 | R6-L10 WeakPolarHBondContact O-CG 3.34Å; R6-L10 PolarHBondContact O-N 3.48Å; F7-L10 PolarHBondContact O-N 2.99Å; I8-L10 PolarHBondContact O-N 2.74Å; L10-V12 PolarHBondContact O-N 3.22Å; L10-V13 PolarHBondContact O-N 3.41Å; L10-T14 PolarHBondContact O-N 3.1Å; L10-T14 PolarHBondContact O-OG1 3.49Å |
| 11 | V | 89.5 | Confident | 80.3 | Confident | 64 Ų | 64 | 106.5 Ų | 106.5 | 39% | 0.388 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.7 | -44 | 179.3 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | F7 I8 C9 T14 M15 | F7-V11 HydrophobicContact CD1-CG2 4.44Å; F7-V11 HydrophobicContact CE1-CG2 4.15Å; F7-V11 HydrophobicContact CZ-CG2 4.42Å; F7-V11 WeakPolarHBondContact O-CG2 3.28Å; F7-V11 PolarHBondContact O-N 3.24Å; F7-V11 VanDerWaalsContact O-N 3.1Å; I8-V11 PolarHBondContact O-N 3.17Å; C9-V11 PolarHBondContact O-N 2.97Å; V11-T14 PolarHBondContact O-N 3.35Å; V11-M15 WeakPolarHBondContact O-CG 3.44Å; V11-M15 PolarHBondContact O-N 3Å |
| 12 | V | 91.3 | Very high | 80.3 | Confident | 90 Ų | 90 | 104.3 Ų | 104.3 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63 | -43.9 | 177.7 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | I8 C9 L10 T14 M15 A16 | I8-V12 HydrophobicContact CG2-CG2 4.31Å; I8-V12 VanDerWaalsContact O-CG2 3.31Å; I8-V12 WeakPolarHBondContact O-CG2 3.29Å; I8-V12 PolarHBondContact O-N 3.01Å; C9-V12 PolarHBondContact O-N 3.33Å; L10-V12 PolarHBondContact O-N 3.22Å; V12-T14 VanDerWaalsContact C-N 3.34Å; V12-T14 PolarHBondContact O-N 2.95Å; V12-M15 PolarHBondContact O-N 3.02Å; V12-A16 VanDerWaalsContact O-CB 3.25Å; V12-A16 WeakPolarHBondContact O-CB 3.25Å; V12-A16 PolarHBondContact O-N 2.91Å |
| 13 | V | 89.1 | Confident | 80 | Confident | 80 Ų | 80 | 103.3 Ų | 103.3 | 49% | 0.485 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.3 | -44.8 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | C9 L10 A16 T17 | C9-V13 VanDerWaalsContact O-CG2 3.28Å; C9-V13 WeakPolarHBondContact O-CG2 3.49Å; C9-V13 PolarHBondContact O-N 3.5Å; L10-V13 PolarHBondContact O-N 3.41Å; V13-A16 PolarHBondContact O-N 3.3Å; V13-T17 HydrophobicContact CG1-CG2 4.28Å; V13-T17 WeakPolarHBondContact O-CB 3.46Å; V13-T17 VanDerWaalsContact O-CG2 3.25Å; V13-T17 WeakPolarHBondContact O-CG2 3.49Å; V13-T17 PolarHBondContact O-N 2.88Å; V13-T17 PolarHBondContact O-OG1 3.37Å; V13-T17 VanDerWaalsContact O-OG1 3.09Å |
| 14 | T | 86.9 | Confident | 79.3 | Confident | 77 Ų | 77 | 103.9 Ų | 103.9 | 47% | 0.472 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.5 | -51.1 | 176.2 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | L10 V11 V12 A16 T17 L18 | L10-T14 PolarHBondContact O-N 3.1Å; L10-T14 PolarHBondContact O-OG1 3.49Å; V11-T14 PolarHBondContact O-N 3.35Å; V12-T14 VanDerWaalsContact C-N 3.34Å; V12-T14 PolarHBondContact O-N 2.95Å; T14-A16 VanDerWaalsContact C-N 3.34Å; T14-A16 PolarHBondContact O-N 3.05Å; T14-T17 WeakPolarHBondContact CA-OG1 3.4Å; T14-T17 PolarHBondContact O-N 3.08Å; T14-T17 PolarHBondContact O-OG1 3.38Å; T14-L18 VanDerWaalsContact O-CB 3.27Å; T14-L18 WeakPolarHBondContact O-CB 3.32Å; T14-L18 PolarHBondContact O-N 3.49Å |
| 15 | M | 86.5 | Confident | 77.8 | Confident | 118 Ų | 118 | 102.3 Ų | 102.3 | 58% | 0.581 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.9 | -41 | 179 | -72 | -63.9 | 174.9 | 0 | 0 | 112.1 | V11 V12 L18 S19 | V11-M15 WeakPolarHBondContact O-CG 3.44Å; V11-M15 PolarHBondContact O-N 3Å; V12-M15 PolarHBondContact O-N 3.02Å; M15-L18 PolarHBondContact O-N 3.09Å; M15-S19 VanDerWaalsContact O-CB 3.32Å; M15-S19 WeakPolarHBondContact O-CB 3.25Å; M15-S19 PolarHBondContact O-N 2.83Å; M15-S19 PolarHBondContact O-OG 2.8Å |
| 16 | A | 85.8 | Confident | 76.2 | Confident | 55 Ų | 55 | 104.2 Ų | 104.2 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.3 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V12 V13 T14 L18 S19 L20 | V12-A16 VanDerWaalsContact O-CB 3.25Å; V12-A16 WeakPolarHBondContact O-CB 3.25Å; V12-A16 PolarHBondContact O-N 2.91Å; V13-A16 PolarHBondContact O-N 3.3Å; T14-A16 VanDerWaalsContact C-N 3.34Å; T14-A16 PolarHBondContact O-N 3.05Å; A16-L18 VanDerWaalsContact C-N 3.33Å; A16-S19 PolarHBondContact O-N 3.2Å; A16-L20 WeakPolarHBondContact O-CB 3.13Å; A16-L20 PolarHBondContact O-N 3.49Å |
| 17 | T | 85.3 | Confident | 74.7 | Confident | 73 Ų | 73 | 103 Ų | 103 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.3 | -33.4 | 175.3 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | V13 T14 L20 A21 | V13-T17 HydrophobicContact CG1-CG2 4.28Å; V13-T17 WeakPolarHBondContact O-CB 3.46Å; V13-T17 VanDerWaalsContact O-CG2 3.25Å; V13-T17 WeakPolarHBondContact O-CG2 3.49Å; V13-T17 PolarHBondContact O-N 2.88Å; V13-T17 PolarHBondContact O-OG1 3.37Å; V13-T17 VanDerWaalsContact O-OG1 3.09Å; T14-T17 WeakPolarHBondContact CA-OG1 3.4Å; T14-T17 PolarHBondContact O-N 3.08Å; T14-T17 PolarHBondContact O-OG1 3.38Å; T17-L20 PolarHBondContact O-N 2.84Å; T17-A21 WeakPolarHBondContact O-CA 3.27Å; T17-A21 WeakPolarHBondContact O-CB 3.11Å; T17-A21 PolarHBondContact O-N 3.41Å |
| 18 | L | 73.9 | Confident | 72.8 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -76.6 | -35.1 | 179.5 | -148.5 | 147.4 | 0 | 0 | 0 | 110.8 | T14 M15 A16 L20 R22 | T14-L18 VanDerWaalsContact O-CB 3.27Å; T14-L18 WeakPolarHBondContact O-CB 3.32Å; T14-L18 PolarHBondContact O-N 3.49Å; M15-L18 PolarHBondContact O-N 3.09Å; A16-L18 VanDerWaalsContact C-N 3.33Å; L18-L20 VanDerWaalsContact C-N 3.32Å; L18-R22 WeakPolarHBondContact O-CB 3.3Å; L18-R22 PolarHBondContact O-N 2.75Å |
| 19 | S | 69.7 | Low | 71.1 | Confident | 96 Ų | 96 | 104.6 Ų | 104.6 | 67% | 0.671 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.5 | -25.1 | 167.3 | -63.7 | 0 | 0 | 0 | 0 | 113.5 | M15 A16 R22 | M15-S19 VanDerWaalsContact O-CB 3.32Å; M15-S19 WeakPolarHBondContact O-CB 3.25Å; M15-S19 PolarHBondContact O-N 2.83Å; M15-S19 PolarHBondContact O-OG 2.8Å; A16-S19 PolarHBondContact O-N 3.2Å; S19-R22 VanDerWaalsContact O-O 3.11Å |
| 20 | L | 65 | Low | 69.3 | Low | 146 Ų | 146 | 109 Ų | 109 | 76% | 0.764 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -90.9 | -39 | -180 | -174 | 65.6 | 0 | 0 | 0 | 112.5 | A16 T17 L18 | A16-L20 WeakPolarHBondContact O-CB 3.13Å; A16-L20 PolarHBondContact O-N 3.49Å; T17-L20 PolarHBondContact O-N 2.84Å; L18-L20 VanDerWaalsContact C-N 3.32Å |
| 21 | A | 64.8 | Low | 67.5 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 71% | 0.711 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -85.9 | -22.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | T17 P23 | T17-A21 WeakPolarHBondContact O-CA 3.27Å; T17-A21 WeakPolarHBondContact O-CB 3.11Å; T17-A21 PolarHBondContact O-N 3.41Å; A21-P23 VanDerWaalsContact O-CD 3.3Å; A21-P23 WeakPolarHBondContact O-CD 3.04Å |
| 22 | R | 58.6 | Low | 65.9 | Low | 172 Ų | 172 | 113.1 Ų | 113.1 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -85.1 | 105.8 | 160.7 | -166 | 179.1 | -177.4 | 174.7 | -0.6 | 106 | L18 S19 S24 | L18-R22 WeakPolarHBondContact O-CB 3.3Å; L18-R22 PolarHBondContact O-N 2.75Å; S19-R22 VanDerWaalsContact O-O 3.11Å; R22-S24 PolarHBondContact O-N 3.26Å |
| 23 | P | 54.4 | Low | 64 | Low | 100 Ų | 100 | 115.7 Ų | 115.7 | 65% | 0.649 | 66% | 0.66 | S | S | * | * | | | trans | -54.4 | 140.9 | 172.5 | 27.2 | -32.5 | 0 | 0 | 0 | 106.4 | A21 F25 | A21-P23 VanDerWaalsContact O-CD 3.3Å; A21-P23 WeakPolarHBondContact O-CD 3.04Å; P23-F25 PolarHBondContact O-N 3.32Å |
| 24 | S | 58.4 | Low | 62 | Low | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | | | trans | -41.7 | 91.2 | 166 | 51 | 0 | 0 | 0 | 0 | 110.2 | R22 S26 | R22-S24 PolarHBondContact O-N 3.26Å; S24-S26 PolarHBondContact O-N 2.8Å |
| 25 | F | 50.7 | Low | 60.5 | Low | 146 Ų | 146 | 121.6 Ų | 121.6 | 64% | 0.64 | 69% | 0.689 | S | S | * | * | | | trans | -77.3 | 61.8 | 154.4 | -164.4 | -93.6 | 0 | 0 | 0 | 105.5 | P23 V28 E29 | P23-F25 PolarHBondContact O-N 3.32Å; F25-V28 HydrophobicContact CZ-CG1 4.24Å; F25-E29 WeakPolarHBondContact CE1-OE2 3.3Å; F25-E29 VanDerWaalsContact CZ-OE2 3.23Å; F25-E29 WeakPolarHBondContact CZ-OE2 3.23Å |
| 26 | S | 52.3 | Low | 58.9 | Low | 91 Ų | 91 | 121.9 Ų | 121.9 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | | | trans | -84.3 | 137.3 | 159.6 | -176.9 | 0 | 0 | 0 | 0 | 104.7 | S24 | S24-S26 PolarHBondContact O-N 2.8Š|
| 27 | L | 54.3 | Low | 57.2 | Low | 161 Ų | 161 | 127 Ų | 127 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 127.1 | 6.3 | 135.3 | -156.2 | 122.4 | 0 | 0 | 0 | 117.7 | | |
| 28 | V | 44.9 | Very low | 55.8 | Low | 116 Ų | 116 | 127.9 Ų | 127.9 | 70% | 0.703 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -135.4 | -3.7 | 180 | 94.5 | 0 | 0 | 0 | 0 | 119.6 | F25 | F25-V28 HydrophobicContact CZ-CG1 4.24Š|
| 29 | E | 52 | Low | 55 | Low | 132 Ų | 132 | 131 Ų | 131 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -122.5 | -19.4 | -170.7 | -91.5 | 138.8 | 92.2 | 0 | 0 | 119.3 | F25 | F25-E29 WeakPolarHBondContact CE1-OE2 3.3Å; F25-E29 VanDerWaalsContact CZ-OE2 3.23Å; F25-E29 WeakPolarHBondContact CZ-OE2 3.23Å |
| 30 | D | 51 | Low | 54.8 | Low | 162 Ų | 162 | 132.6 Ų | 132.6 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -134.8 | 15.7 | -163.8 | -71.6 | -60.5 | 0 | 0 | 0 | 118.4 | | |
| 31 | T | 52.3 | Low | 54.5 | Low | 141 Ų | 141 | 130.2 Ų | 130.2 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -153 | 28.5 | 174.9 | -148.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 32 | T | 57.2 | Low | 54.1 | Low | 126 Ų | 126 | 129.5 Ų | 129.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -151.6 | 131.7 | 160.6 | -163.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 33 | L | 50.9 | Low | 54 | Low | 145 Ų | 145 | 128.5 Ų | 128.5 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 96.5 | 75 | 168 | -47.8 | -173 | 0 | 0 | 0 | 116.2 | | |
| 34 | E | 47.5 | Very low | 54.1 | Low | 139 Ų | 139 | 129.4 Ų | 129.4 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | | 46 | 95.7 | 124.5 | -44.3 | -92.3 | 85.8 | 0 | 0 | 115.3 | E36 | E34-E36 HydrophobicContact CB-CG 4.01Å; E34-E36 PolarHBondContact O-N 2.74Å |
| 35 | P | 54 | Low | 54.5 | Low | 141 Ų | 141 | 132.3 Ų | 132.3 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -76.4 | 39.8 | 163 | 35.6 | -35.4 | 0 | 0 | 0 | 111 | | |
| 36 | E | 53.7 | Low | 55.1 | Low | 125 Ų | 125 | 131.2 Ų | 131.2 | 58% | 0.584 | 76% | 0.757 | S | S | * | * | | | trans | -140.1 | 115.5 | -178.5 | 44.8 | -173.6 | 77.1 | 0 | 0 | 108.2 | E34 | E34-E36 HydrophobicContact CB-CG 4.01Å; E34-E36 PolarHBondContact O-N 2.74Å |
| 37 | D | 50.3 | Low | 55.7 | Low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 102.6 | 125.5 | 172.6 | -56 | -45.4 | 0 | 0 | 0 | 118.5 | | |
| 38 | A | 55.9 | Low | 56.1 | Low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 88.5 | 66.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 39 | I | 57.5 | Low | 56.9 | Low | 163 Ų | 163 | 133 Ų | 133 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | | -157.1 | 64.9 | 116.8 | 43.9 | 172.6 | 0 | 0 | 0 | 109.6 | | |
| 40 | S | 64.1 | Low | 57.3 | Low | 130 Ų | 130 | 130.8 Ų | 130.8 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | -82.8 | 95.8 | 148.2 | -178.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 41 | S | 59.8 | Low | 57.9 | Low | 97 Ų | 97 | 126.5 Ų | 126.5 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | -173 | 94.4 | 167 | 53.4 | 0 | 0 | 0 | 0 | 105.3 | | |
| 42 | G | 55.8 | Low | 58.2 | Low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | | | | 102.1 | 142.9 | 77.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 43 | D | 56 | Low | 58.5 | Low | 150 Ų | 150 | 128.2 Ų | 128.2 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | | | trans | 69.2 | 131 | 178.5 | -72.8 | 4.3 | 0 | 0 | 0 | 115.7 | | |
| 44 | D | 58.3 | Low | 58.9 | Low | 119 Ų | 119 | 130.8 Ų | 130.8 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | cis | -158.2 | 132.1 | 7.8 | -91.6 | -35.5 | 0 | 0 | 0 | 104.9 | | |
| 45 | E | 64.9 | Low | 59.6 | Low | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | | 55.2 | 103.1 | 110.7 | -50.6 | -141.6 | 161.8 | 0 | 0 | 112.8 | | |
| 46 | D | 65.1 | Low | 60 | Low | 124 Ų | 124 | 127.2 Ų | 127.2 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | | | | 48.4 | 81.9 | 101.6 | -167.1 | 22.6 | 0 | 0 | 0 | 113 | T48 | D46-T48 PolarHBondContact OD1-N 3.01Å; D46-T48 PolarHBondContact OD1-OG1 3.33Å |
| 47 | D | 64.5 | Low | 60.6 | Low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | -127.3 | 66.4 | 147.8 | -76.1 | -40 | 0 | 0 | 0 | 107.5 | D49 | D47-D49 PolarHBondContact O-N 2.95Š|
| 48 | T | 62.5 | Low | 61.4 | Low | 131 Ų | 131 | 127.4 Ų | 127.4 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | -83.8 | 82.7 | 155.4 | 18.9 | 0 | 0 | 0 | 0 | 109.3 | D46 | D46-T48 PolarHBondContact OD1-N 3.01Å; D46-T48 PolarHBondContact OD1-OG1 3.33Å |
| 49 | D | 62.1 | Low | 61.8 | Low | 126 Ų | 126 | 128 Ų | 128 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | | | trans | -148.2 | 37.9 | 173.9 | 79.3 | -31.5 | 0 | 0 | 0 | 115 | D47 A51 | D47-D49 PolarHBondContact O-N 2.95Å; D49-A51 PolarHBondContact O-N 2.89Å |
| 50 | G | 59.7 | Low | 62.2 | Low | 86 Ų | 86 | 126 Ų | 126 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | | | trans | -88 | 45.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E52 | G50-E52 PolarHBondContact O-N 2.98Š|
| 51 | A | 63.2 | Low | 62 | Low | 72 Ų | 72 | 126.6 Ų | 126.6 | 60% | 0.595 | 73% | 0.731 | S | S | * | * | | | trans | -58.1 | 130.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D49 | D49-A51 PolarHBondContact O-N 2.89Š|
| 52 | E | 59.5 | Low | 62.1 | Low | 164 Ų | 164 | 131.9 Ų | 131.9 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | trans | 45 | 104.2 | 154.1 | 0.5 | -71.3 | 93 | 0 | 0 | 119 | G50 | G50-E52 PolarHBondContact O-N 2.98Š|
| 53 | D | 62.8 | Low | 61.9 | Low | 139 Ų | 139 | 133.8 Ų | 133.8 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | trans | -133.8 | 89.9 | 136.5 | -166.3 | 15.8 | 0 | 0 | 0 | 110.5 | V55 | D53-V55 VanDerWaalsContact C-N 3.26Å; D53-V55 PolarHBondContact O-N 3.44Å; D53-V55 VanDerWaalsContact OD2-CG2 3.3Å; D53-V55 WeakPolarHBondContact OD2-CG2 3.36Å |
| 54 | F | 60.7 | Low | 61.5 | Low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.873 | 76% | 0.761 | S | S | * | * | | | trans | -64.3 | 90.2 | 160.3 | -102.3 | -92.8 | 0 | 0 | 0 | 108 | S56 | F54-S56 VanDerWaalsContact C-N 3.27Å; F54-S56 PolarHBondContact O-N 3.19Å |
| 55 | V | 61.4 | Low | 61.6 | Low | 100 Ų | 100 | 140.5 Ų | 140.5 | 61% | 0.606 | 77% | 0.767 | S | S | * | * | | | trans | -73.1 | 89.5 | 167.7 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | D53 E57 | D53-V55 VanDerWaalsContact C-N 3.26Å; D53-V55 PolarHBondContact O-N 3.44Å; D53-V55 VanDerWaalsContact OD2-CG2 3.3Å; D53-V55 WeakPolarHBondContact OD2-CG2 3.36Å; V55-E57 PolarHBondContact O-N 2.93Å |
| 56 | S | 63.3 | Low | 61.5 | Low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -69.1 | 86.9 | 168.6 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | F54 N58 | F54-S56 VanDerWaalsContact C-N 3.27Å; F54-S56 PolarHBondContact O-N 3.19Å; S56-N58 VanDerWaalsContact C-N 3.26Å; S56-N58 PolarHBondContact O-N 2.67Å; S56-N58 VanDerWaalsContact O-N 3.08Å |
| 57 | E | 65.4 | Low | 61.3 | Low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -85.8 | 74.2 | 170.1 | -157.8 | 142.1 | 95.4 | 0 | 0 | 110.5 | V55 S59 | V55-E57 PolarHBondContact O-N 2.93Å; E57-S59 PolarHBondContact O-N 2.9Å |
| 58 | N | 67.1 | Low | 61.1 | Low | 114 Ų | 114 | 139.3 Ų | 139.3 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | | | trans | -72.7 | 96.9 | 163.2 | 168 | 74.6 | 0 | 0 | 0 | 109.4 | S56 | S56-N58 VanDerWaalsContact C-N 3.26Å; S56-N58 PolarHBondContact O-N 2.67Å; S56-N58 VanDerWaalsContact O-N 3.08Å |
| 59 | S | 65 | Low | 61 | Low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | -139.9 | 80.5 | 158.4 | -76.2 | 0 | 0 | 0 | 0 | 109.7 | E57 N61 | E57-S59 PolarHBondContact O-N 2.9Å; S59-N61 PolarHBondContact O-N 3.45Å |
| 60 | N | 64.4 | Low | 60.9 | Low | 122 Ų | 122 | 140.7 Ų | 140.7 | 65% | 0.652 | 78% | 0.775 | S | S | * | * | | | trans | -45.6 | 115.7 | 160.8 | 46.5 | 21.6 | 0 | 0 | 0 | 110.7 | K62 | N60-K62 PolarHBondContact O-N 3.38Š|
| 61 | N | 60.8 | Low | 61 | Low | 143 Ų | 143 | 144.6 Ų | 144.6 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | | | trans | -35.6 | 107 | 162.5 | 44.8 | 37.8 | 0 | 0 | 0 | 111.8 | S59 S63 | S59-N61 PolarHBondContact O-N 3.45Å; N61-S63 PolarHBondContact O-N 2.96Å |
| 62 | K | 60.7 | Low | 60.8 | Low | 207 Ų | 207 | 150.2 Ų | 150.2 | 90% | 0.9 | 78% | 0.78 | S | S | * | * | | | trans | -71.1 | 78.1 | 171.1 | -166.6 | 163.5 | -163 | 170.9 | 0 | 109.1 | N60 | N60-K62 PolarHBondContact O-N 3.38Š|
| 63 | S | 52.5 | Low | 60.9 | Low | 111 Ų | 111 | 149.1 Ų | 149.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -90.7 | 88.9 | 165.9 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | N61 | N61-S63 PolarHBondContact O-N 2.96Š|
| 64 | K | 46.9 | Very low | 60.7 | Low | 269 Ų | 269 | 150 Ų | 150 | 100% | 1.17 | 79% | 0.785 | S | S | * | * | | | trans | -164 | 0 | 143.7 | -133 | 169.2 | -174.2 | 160.5 | 0 | 110.8 | | |