| 1 | M | 60.5 | Low | 79.4 | Confident | 206 Ų | 206 | 119.1 Ų | 119.1 | 100% | 1.015 | 63% | 0.627 | S | S | * | * | | | | 0 | 93.7 | 0 | -136.8 | 69.6 | 177.1 | 0 | 0 | 106.6 | I3 | M1-I3 PolarHBondContact O-N 3.1Å; M1-I3 VanDerWaalsContact O-N 3.09Å |
| 2 | D | 66.8 | Low | 80.4 | Confident | 135 Ų | 135 | 117.3 Ų | 117.3 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | | | trans | -103.1 | 68 | -144.1 | -60.7 | -90.7 | 0 | 0 | 0 | 109.2 | Y4 D5 | D2-Y4 PolarHBondContact O-N 3.03Å; D2-D5 WeakPolarHBondContact O-CB 3.32Å; D2-D5 PolarHBondContact O-N 3.42Å |
| 3 | I | 66 | Low | 81.4 | Confident | 129 Ų | 129 | 115.2 Ų | 115.2 | 66% | 0.662 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -17.2 | -176.1 | -61.2 | 166.7 | 0 | 0 | 0 | 111.9 | M1 | M1-I3 PolarHBondContact O-N 3.1Å; M1-I3 VanDerWaalsContact O-N 3.09Å |
| 4 | Y | 73.9 | Confident | 82.2 | Confident | 206 Ų | 206 | 116.8 Ų | 116.8 | 81% | 0.808 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 11.4 | 177.3 | -58.7 | -75.6 | 0 | 0 | 0 | 114.2 | D2 T6 | D2-Y4 PolarHBondContact O-N 3.03Å; Y4-T6 PolarHBondContact O-N 3.43Å |
| 5 | D | 85.5 | Confident | 83.1 | Confident | 65 Ų | 65 | 111.1 Ų | 111.1 | 35% | 0.348 | 60% | 0.597 | S | S | . | * | | | trans | -55.9 | 123.8 | 169.6 | 160.9 | 49 | 0 | 0 | 0 | 110.6 | D2 Q7 T8 L9 | D2-D5 WeakPolarHBondContact O-CB 3.32Å; D2-D5 PolarHBondContact O-N 3.42Å; D5-Q7 PolarHBondContact O-N 3.05Å; D5-Q7 PolarHBondContact OD1-N 2.98Å; D5-Q7 VanDerWaalsContact OD1-N 3.16Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.39Å; D5-Q7 PolarHBondContact OD2-N 3.16Å; D5-T8 PolarHBondContact O-N 2.73Å; D5-T8 VanDerWaalsContact OD2-CB 3.29Å; D5-T8 WeakPolarHBondContact OD2-CB 3.18Å; D5-T8 PolarHBondContact OD2-N 3.34Å; D5-T8 PolarHBondContact OD2-OG1 3.48Å; D5-L9 WeakPolarHBondContact O-CB 3.25Å; D5-L9 PolarHBondContact O-N 3.39Å |
| 6 | T | 83 | Confident | 84 | Confident | 118 Ų | 118 | 106.4 Ų | 106.4 | 72% | 0.724 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60 | -31.2 | -176.7 | -49.5 | 0 | 0 | 0 | 0 | 112.6 | Y4 G10 | Y4-T6 PolarHBondContact O-N 3.43Å; T6-G10 PolarHBondContact O-N 3.24Å |
| 7 | Q | 84.1 | Confident | 84.7 | Confident | 151 Ų | 151 | 108.4 Ų | 108.4 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.2 | -48.9 | 176.3 | 178.7 | 174.4 | 103.2 | 0 | 0 | 110.9 | D5 G10 V11 | D5-Q7 PolarHBondContact O-N 3.05Å; D5-Q7 PolarHBondContact OD1-N 2.98Å; D5-Q7 VanDerWaalsContact OD1-N 3.16Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.39Å; D5-Q7 PolarHBondContact OD2-N 3.16Å; Q7-G10 PolarHBondContact O-N 2.74Å; Q7-V11 WeakPolarHBondContact O-CG2 3.43Å; Q7-V11 PolarHBondContact O-N 2.79Å |
| 8 | T | 85.5 | Confident | 85.3 | Confident | 71 Ų | 71 | 108.4 Ų | 108.4 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.4 | -47.3 | 176.6 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | D5 G10 V11 V12 | D5-T8 PolarHBondContact O-N 2.73Å; D5-T8 VanDerWaalsContact OD2-CB 3.29Å; D5-T8 WeakPolarHBondContact OD2-CB 3.18Å; D5-T8 PolarHBondContact OD2-N 3.34Å; D5-T8 PolarHBondContact OD2-OG1 3.48Å; T8-G10 VanDerWaalsContact C-N 3.31Å; T8-G10 PolarHBondContact O-N 3.01Å; T8-V11 PolarHBondContact O-N 3.01Å; T8-V12 HydrophobicContact CG2-CG2 4.49Å; T8-V12 WeakPolarHBondContact O-CG2 3.27Å; T8-V12 PolarHBondContact O-N 2.93Å |
| 9 | L | 88.5 | Confident | 85.9 | Confident | 89 Ų | 89 | 107.3 Ų | 107.3 | 47% | 0.466 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.8 | -41.2 | 175.6 | -176.9 | 63 | 0 | 0 | 0 | 111.4 | D5 V12 V13 | D5-L9 WeakPolarHBondContact O-CB 3.25Å; D5-L9 PolarHBondContact O-N 3.39Å; L9-V12 PolarHBondContact O-N 3.31Å; L9-V13 HydrophobicContact CD1-CG2 4Å; L9-V13 HydrophobicContact CG-CG2 4.33Å; L9-V13 WeakPolarHBondContact O-CB 3.27Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.03Å; L9-V13 PolarHBondContact O-N 3.43Å |
| 10 | G | 90.5 | Very high | 86.4 | Confident | 39 Ų | 39 | 107 Ų | 107 | 40% | 0.402 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.1 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T6 Q7 T8 F14 | T6-G10 PolarHBondContact O-N 3.24Å; Q7-G10 PolarHBondContact O-N 2.74Å; T8-G10 VanDerWaalsContact C-N 3.31Å; T8-G10 PolarHBondContact O-N 3.01Å; G10-F14 WeakPolarHBondContact O-CB 3.33Å; G10-F14 PolarHBondContact O-N 3.02Å |
| 11 | V | 88.8 | Confident | 86.8 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 61% | 0.612 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.6 | -41.9 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | Q7 T8 G15 | Q7-V11 WeakPolarHBondContact O-CG2 3.43Å; Q7-V11 PolarHBondContact O-N 2.79Å; T8-V11 PolarHBondContact O-N 3.01Å; V11-G15 PolarHBondContact O-N 3.49Å |
| 12 | V | 92.2 | Very high | 88.5 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -44.7 | 178.1 | 171 | 0 | 0 | 0 | 0 | 111.3 | T8 L9 G16 | T8-V12 HydrophobicContact CG2-CG2 4.49Å; T8-V12 WeakPolarHBondContact O-CG2 3.27Å; T8-V12 PolarHBondContact O-N 2.93Å; L9-V12 PolarHBondContact O-N 3.31Å; V12-G16 PolarHBondContact O-N 3.41Å |
| 13 | V | 93.3 | Very high | 89.8 | Confident | 91 Ų | 91 | 94.7 Ų | 94.7 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.5 | -44.8 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | L9 F17 | L9-V13 HydrophobicContact CD1-CG2 4Å; L9-V13 HydrophobicContact CG-CG2 4.33Å; L9-V13 WeakPolarHBondContact O-CB 3.27Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.03Å; L9-V13 PolarHBondContact O-N 3.43Å; V13-F17 WeakPolarHBondContact O-CB 3.27Å; V13-F17 PolarHBondContact O-N 3.41Å |
| 14 | F | 92.8 | Very high | 91.2 | Very high | 137 Ų | 137 | 90 Ų | 90 | 60% | 0.601 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -46 | 179 | -178.1 | -102.5 | 0 | 0 | 0 | 112.1 | G10 F17 M18 | G10-F14 WeakPolarHBondContact O-CB 3.33Å; G10-F14 PolarHBondContact O-N 3.02Å; F14-F17 PolarHBondContact O-N 3.2Å; F14-M18 HydrophobicContact CD1-CG 4.5Å; F14-M18 HydrophobicContact CD1-SD 4.21Å; F14-M18 HydrophobicContact CE1-CG 4.16Å; F14-M18 HydrophobicContact CE1-SD 3.45Å; F14-M18 WeakPolarHBondContact CE1-SD 3.36Å; F14-M18 HydrophobicContact CE2-CG 4.48Å; F14-M18 HydrophobicContact CZ-CG 4.15Å; F14-M18 HydrophobicContact CZ-SD 3.65Å; F14-M18 WeakPolarHBondContact O-CB 3.45Å; F14-M18 WeakPolarHBondContact O-CG 3.21Å; F14-M18 PolarHBondContact O-N 3.36Å |
| 15 | G | 95.9 | Very high | 92.1 | Very high | 31 Ų | 31 | 86 Ų | 86 | 32% | 0.32 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V11 M18 V19 | V11-G15 PolarHBondContact O-N 3.49Å; G15-M18 PolarHBondContact O-N 2.73Å; G15-V19 WeakPolarHBondContact O-CG2 3.34Å; G15-V19 PolarHBondContact O-N 2.99Å |
| 16 | G | 96.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 89.5 Ų | 89.5 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V12 V19 V20 | V12-G16 PolarHBondContact O-N 3.41Å; G16-V19 PolarHBondContact O-N 3.25Å; G16-V20 WeakPolarHBondContact O-CB 2.97Å; G16-V20 WeakPolarHBondContact O-CG2 3.35Å; G16-V20 PolarHBondContact O-N 2.83Å |
| 17 | F | 95.5 | Very high | 92.8 | Very high | 141 Ų | 141 | 88 Ų | 88 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.8 | -38.8 | 176.3 | -177.1 | -99 | 0 | 0 | 0 | 112.4 | V13 F14 S21 | V13-F17 WeakPolarHBondContact O-CB 3.27Å; V13-F17 PolarHBondContact O-N 3.41Å; F14-F17 PolarHBondContact O-N 3.2Å; F17-S21 WeakPolarHBondContact CE1-OG 3.46Å; F17-S21 WeakPolarHBondContact CZ-OG 3.49Å; F17-S21 WeakPolarHBondContact O-CB 3.39Å; F17-S21 PolarHBondContact O-N 2.78Å; F17-S21 PolarHBondContact O-OG 3.44Å |
| 18 | M | 95.8 | Very high | 92.9 | Very high | 108 Ų | 108 | 85.6 Ų | 85.6 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 172.8 | -82.9 | -163.4 | 71 | 0 | 0 | 112 | F14 G15 S21 A22 | F14-M18 HydrophobicContact CD1-CG 4.5Å; F14-M18 HydrophobicContact CD1-SD 4.21Å; F14-M18 HydrophobicContact CE1-CG 4.16Å; F14-M18 HydrophobicContact CE1-SD 3.45Å; F14-M18 WeakPolarHBondContact CE1-SD 3.36Å; F14-M18 HydrophobicContact CE2-CG 4.48Å; F14-M18 HydrophobicContact CZ-CG 4.15Å; F14-M18 HydrophobicContact CZ-SD 3.65Å; F14-M18 WeakPolarHBondContact O-CB 3.45Å; F14-M18 WeakPolarHBondContact O-CG 3.21Å; F14-M18 PolarHBondContact O-N 3.36Å; G15-M18 PolarHBondContact O-N 2.73Å; M18-S21 PolarHBondContact O-N 2.89Å; M18-A22 VanDerWaalsContact O-CB 3.25Å; M18-A22 WeakPolarHBondContact O-CB 3.28Å; M18-A22 PolarHBondContact O-N 2.96Å |
| 19 | V | 96.9 | Very high | 93 | Very high | 87 Ų | 87 | 85.4 Ų | 85.4 | 53% | 0.527 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 178.9 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.34Å; G15-V19 PolarHBondContact O-N 2.99Å; G16-V19 PolarHBondContact O-N 3.25Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.04Å; V19-A22 PolarHBondContact O-N 3.4Å; V19-I23 HydrophobicContact CG1-CD1 3.76Å; V19-I23 WeakPolarHBondContact O-CB 3.17Å; V19-I23 VanDerWaalsContact O-CG1 3.29Å; V19-I23 WeakPolarHBondContact O-CG1 3.28Å; V19-I23 PolarHBondContact O-N 3.22Å |
| 20 | V | 96 | Very high | 92.6 | Very high | 101 Ų | 101 | 83 Ų | 83 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -37.8 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | G16 G24 | G16-V20 WeakPolarHBondContact O-CB 2.97Å; G16-V20 WeakPolarHBondContact O-CG2 3.35Å; G16-V20 PolarHBondContact O-N 2.83Å; V20-G24 PolarHBondContact O-N 3.43Å |
| 21 | S | 95 | Very high | 91.9 | Very high | 36 Ų | 36 | 85.7 Ų | 85.7 | 25% | 0.252 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 175 | -62 | 0 | 0 | 0 | 0 | 112.1 | F17 M18 V19 G24 I25 | F17-S21 WeakPolarHBondContact CE1-OG 3.46Å; F17-S21 WeakPolarHBondContact CZ-OG 3.49Å; F17-S21 WeakPolarHBondContact O-CB 3.39Å; F17-S21 PolarHBondContact O-N 2.78Å; F17-S21 PolarHBondContact O-OG 3.44Å; M18-S21 PolarHBondContact O-N 2.89Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.04Å; S21-G24 PolarHBondContact O-N 3Å; S21-I25 WeakPolarHBondContact O-CB 3.3Å; S21-I25 VanDerWaalsContact O-CG1 3.25Å; S21-I25 WeakPolarHBondContact O-CG1 3.43Å; S21-I25 PolarHBondContact O-N 3.4Å |
| 22 | A | 95.3 | Very high | 91.1 | Very high | 61 Ų | 61 | 84 Ų | 84 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M18 V19 F26 | M18-A22 VanDerWaalsContact O-CB 3.25Å; M18-A22 WeakPolarHBondContact O-CB 3.28Å; M18-A22 PolarHBondContact O-N 2.96Å; V19-A22 PolarHBondContact O-N 3.4Å; A22-F26 WeakPolarHBondContact O-CB 3.25Å; A22-F26 PolarHBondContact O-N 2.81Å |
| 23 | I | 95.4 | Very high | 89.8 | Confident | 93 Ų | 93 | 86 Ų | 86 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 174.1 | -67 | 166.7 | 0 | 0 | 0 | 110.8 | V19 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 3.76Å; V19-I23 WeakPolarHBondContact O-CB 3.17Å; V19-I23 VanDerWaalsContact O-CG1 3.29Å; V19-I23 WeakPolarHBondContact O-CG1 3.28Å; V19-I23 PolarHBondContact O-N 3.22Å; I23-F26 PolarHBondContact O-N 2.78Å; I23-L27 HydrophobicContact CG2-CD1 3.85Å; I23-L27 HydrophobicContact CG2-CG 4.24Å; I23-L27 WeakPolarHBondContact O-CB 3.21Å; I23-L27 VanDerWaalsContact O-CG 3.3Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 2.81Å |
| 24 | G | 94.7 | Very high | 88.3 | Confident | 32 Ų | 32 | 86.7 Ų | 86.7 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V20 S21 L27 V28 | V20-G24 PolarHBondContact O-N 3.43Å; S21-G24 PolarHBondContact O-N 3Å; G24-L27 PolarHBondContact O-N 2.93Å; G24-V28 WeakPolarHBondContact O-CB 3.32Å; G24-V28 WeakPolarHBondContact O-CG2 2.99Å; G24-V28 PolarHBondContact O-N 3.29Å |
| 25 | I | 92.3 | Very high | 86.7 | Confident | 120 Ų | 120 | 85.8 Ų | 85.8 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.9 | -38.3 | 174 | -65.2 | 165.6 | 0 | 0 | 0 | 110.5 | S21 S29 | S21-I25 WeakPolarHBondContact O-CB 3.3Å; S21-I25 VanDerWaalsContact O-CG1 3.25Å; S21-I25 WeakPolarHBondContact O-CG1 3.43Å; S21-I25 PolarHBondContact O-N 3.4Å; I25-S29 WeakPolarHBondContact O-CA 3.43Å; I25-S29 WeakPolarHBondContact O-CB 3.34Å; I25-S29 PolarHBondContact O-N 3.36Å |
| 26 | F | 91.3 | Very high | 84.8 | Confident | 139 Ų | 139 | 89.1 Ų | 89.1 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.8 | -39.5 | 174.8 | -178.5 | -96 | 0 | 0 | 0 | 111.9 | A22 I23 T30 | A22-F26 WeakPolarHBondContact O-CB 3.25Å; A22-F26 PolarHBondContact O-N 2.81Å; I23-F26 PolarHBondContact O-N 2.78Å; F26-T30 HydrophobicContact CE1-CG2 4.44Å; F26-T30 WeakPolarHBondContact O-CB 3.12Å; F26-T30 VanDerWaalsContact O-CG2 3.25Å; F26-T30 WeakPolarHBondContact O-CG2 3.13Å; F26-T30 PolarHBondContact O-N 3.45Å |
| 27 | L | 91.5 | Very high | 83.2 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.9 | -49.3 | 175.5 | -74.2 | 174.3 | 0 | 0 | 0 | 111.4 | I23 G24 S29 T30 F31 | I23-L27 HydrophobicContact CG2-CD1 3.85Å; I23-L27 HydrophobicContact CG2-CG 4.24Å; I23-L27 WeakPolarHBondContact O-CB 3.21Å; I23-L27 VanDerWaalsContact O-CG 3.3Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 2.81Å; G24-L27 PolarHBondContact O-N 2.93Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 3.29Å; L27-T30 PolarHBondContact O-N 2.75Å; L27-F31 VanDerWaalsContact O-CB 3.3Å; L27-F31 WeakPolarHBondContact O-CB 3.39Å; L27-F31 WeakPolarHBondContact O-CD2 3.19Å; L27-F31 PolarHBondContact O-N 2.87Å |
| 28 | V | 86.8 | Confident | 81.3 | Confident | 101 Ų | 101 | 93 Ų | 93 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -44.4 | 174.7 | 165.1 | 0 | 0 | 0 | 0 | 110.9 | G24 S32 | G24-V28 WeakPolarHBondContact O-CB 3.32Å; G24-V28 WeakPolarHBondContact O-CG2 2.99Å; G24-V28 PolarHBondContact O-N 3.29Å; V28-S32 VanDerWaalsContact O-CB 3.32Å; V28-S32 WeakPolarHBondContact O-CB 3.3Å; V28-S32 PolarHBondContact O-N 2.87Å; V28-S32 PolarHBondContact O-OG 3.46Å |
| 29 | S | 86.9 | Confident | 79.8 | Confident | 67 Ų | 67 | 94.2 Ų | 94.2 | 47% | 0.469 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -45.2 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 112 | I25 L27 S32 M33 | I25-S29 WeakPolarHBondContact O-CA 3.43Å; I25-S29 WeakPolarHBondContact O-CB 3.34Å; I25-S29 PolarHBondContact O-N 3.36Å; L27-S29 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 3.29Å; S29-S32 PolarHBondContact O-N 2.84Å; S29-M33 WeakPolarHBondContact O-CB 3.34Å; S29-M33 PolarHBondContact O-N 2.77Å |
| 30 | T | 81 | Confident | 78.1 | Confident | 39 Ų | 39 | 94.9 Ų | 94.9 | 24% | 0.239 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -72.1 | -28.3 | 178.7 | -157.9 | 0 | 0 | 0 | 0 | 112.5 | F26 L27 K34 | F26-T30 HydrophobicContact CE1-CG2 4.44Å; F26-T30 WeakPolarHBondContact O-CB 3.12Å; F26-T30 VanDerWaalsContact O-CG2 3.25Å; F26-T30 WeakPolarHBondContact O-CG2 3.13Å; F26-T30 PolarHBondContact O-N 3.45Å; L27-T30 PolarHBondContact O-N 2.75Å; T30-K34 VanDerWaalsContact O-CB 3.28Å; T30-K34 WeakPolarHBondContact O-CB 3.29Å; T30-K34 VanDerWaalsContact O-CG 3.27Å; T30-K34 WeakPolarHBondContact O-CG 3.13Å; T30-K34 PolarHBondContact O-N 2.89Å |
| 31 | F | 75.4 | Confident | 76.6 | Confident | 95 Ų | 95 | 92.9 Ų | 92.9 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -77 | -39.7 | 170.9 | -89.6 | -96.8 | 0 | 0 | 0 | 112 | L27 M33 K34 E35 | L27-F31 VanDerWaalsContact O-CB 3.3Å; L27-F31 WeakPolarHBondContact O-CB 3.39Å; L27-F31 WeakPolarHBondContact O-CD2 3.19Å; L27-F31 PolarHBondContact O-N 2.87Å; F31-M33 VanDerWaalsContact C-N 3.28Å; F31-M33 PolarHBondContact O-N 3.44Å; F31-K34 CarbonylContact O-C 3.54Å; F31-K34 PolarHBondContact O-N 2.71Å; F31-E35 HydrophobicContact CD1-CG 4.22Å; F31-E35 WeakPolarHBondContact CD1-OE1 3.44Å; F31-E35 WeakPolarHBondContact CE1-OE1 3.48Å; F31-E35 WeakPolarHBondContact O-CA 3.4Å; F31-E35 VanDerWaalsContact O-CB 3.28Å; F31-E35 WeakPolarHBondContact O-CB 3.4Å; F31-E35 WeakPolarHBondContact O-CG 3.36Å; F31-E35 PolarHBondContact O-N 2.79Å |
| 32 | S | 71.9 | Confident | 75.2 | Confident | 65 Ų | 65 | 96.1 Ų | 96.1 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 168.7 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | V28 S29 T36 | V28-S32 VanDerWaalsContact O-CB 3.32Å; V28-S32 WeakPolarHBondContact O-CB 3.3Å; V28-S32 PolarHBondContact O-N 2.87Å; V28-S32 PolarHBondContact O-OG 3.46Å; S29-S32 PolarHBondContact O-N 2.84Å; S32-T36 WeakPolarHBondContact O-CB 3.37Å; S32-T36 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-OG1 3.31Å |
| 33 | M | 64.4 | Low | 73.8 | Confident | 139 Ų | 139 | 95 Ų | 95 | 69% | 0.685 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.3 | -25.8 | 177.6 | -160.4 | 167.2 | 82.5 | 0 | 0 | 113 | S29 F31 S37 | S29-M33 WeakPolarHBondContact O-CB 3.34Å; S29-M33 PolarHBondContact O-N 2.77Å; F31-M33 VanDerWaalsContact C-N 3.28Å; F31-M33 PolarHBondContact O-N 3.44Å; M33-S37 WeakPolarHBondContact O-CB 3.47Å |
| 34 | K | 62.9 | Low | 72.5 | Confident | 106 Ų | 106 | 93 Ų | 93 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -81.3 | -38.8 | 169.4 | -82.5 | 178.8 | 67.2 | -126 | 0 | 113.3 | T30 F31 Y38 | T30-K34 VanDerWaalsContact O-CB 3.28Å; T30-K34 WeakPolarHBondContact O-CB 3.29Å; T30-K34 VanDerWaalsContact O-CG 3.27Å; T30-K34 WeakPolarHBondContact O-CG 3.13Å; T30-K34 PolarHBondContact O-N 2.89Å; F31-K34 CarbonylContact O-C 3.54Å; F31-K34 PolarHBondContact O-N 2.71Å; K34-Y38 WeakPolarHBondContact O-CB 3.4Å; K34-Y38 PolarHBondContact O-N 2.84Å |
| 35 | E | 59.3 | Low | 71.2 | Confident | 117 Ų | 117 | 97 Ų | 97 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -118.6 | 1.5 | -158.9 | -52.8 | -164.8 | 172.1 | 0 | 0 | 113.5 | F31 | F31-E35 HydrophobicContact CD1-CG 4.22Å; F31-E35 WeakPolarHBondContact CD1-OE1 3.44Å; F31-E35 WeakPolarHBondContact CE1-OE1 3.48Å; F31-E35 WeakPolarHBondContact O-CA 3.4Å; F31-E35 VanDerWaalsContact O-CB 3.28Å; F31-E35 WeakPolarHBondContact O-CB 3.4Å; F31-E35 WeakPolarHBondContact O-CG 3.36Å; F31-E35 PolarHBondContact O-N 2.79Å |
| 36 | T | 56.6 | Low | 69.8 | Low | 101 Ų | 101 | 99.8 Ų | 99.8 | 62% | 0.62 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -30.3 | 158 | -46.7 | 0 | 0 | 0 | 0 | 111.9 | S32 | S32-T36 WeakPolarHBondContact O-CB 3.37Å; S32-T36 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-OG1 3.31Å |
| 37 | S | 62.3 | Low | 68.6 | Low | 79 Ų | 79 | 97.1 Ų | 97.1 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -84.8 | -28.9 | 179.7 | -168 | 0 | 0 | 0 | 0 | 115 | M33 | M33-S37 WeakPolarHBondContact O-CB 3.47Å |
| 38 | Y | 55.1 | Low | 67 | Low | 181 Ų | 181 | 99.6 Ų | 99.6 | 71% | 0.71 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -80 | -30.2 | -179.1 | -170.3 | -104.4 | 0 | 0 | 0 | 112.5 | K34 | K34-Y38 WeakPolarHBondContact O-CB 3.4Å; K34-Y38 PolarHBondContact O-N 2.84Å |
| 39 | E | 64.4 | Low | 65.3 | Low | 132 Ų | 132 | 101 Ų | 101 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -49.8 | 174.7 | -147.3 | -68.1 | 137.3 | 0 | 0 | 110.5 | A41 L42 A43 | E39-A41 VanDerWaalsContact C-N 3.26Å; E39-A41 PolarHBondContact O-N 2.96Å; E39-L42 PolarHBondContact O-N 2.82Å; E39-A43 PolarHBondContact O-N 3.44Å |
| 40 | E | 61.6 | Low | 63.9 | Low | 101 Ų | 101 | 101.4 Ų | 101.4 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -29.8 | -179.5 | -179.6 | 165.7 | -159.2 | 0 | 0 | 112.9 | A43 N44 K47 | E40-A43 PolarHBondContact O-N 3.31Å; E40-N44 VanDerWaalsContact CG-ND2 3.27Å; E40-N44 WeakPolarHBondContact CG-ND2 3.12Å; E40-N44 VanDerWaalsContact O-CB 3.27Å; E40-N44 WeakPolarHBondContact O-CB 3.25Å; E40-N44 PolarHBondContact O-N 2.85Å; E40-N44 PolarHBondContact OE1-ND2 3.47Å; E40-K47 IonicContact OE1-NZ 3.97Å |
| 41 | A | 65.3 | Low | 62.8 | Low | 59 Ų | 59 | 106.4 Ų | 106.4 | 49% | 0.488 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E39 A43 N44 Q45 | E39-A41 VanDerWaalsContact C-N 3.26Å; E39-A41 PolarHBondContact O-N 2.96Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-N44 PolarHBondContact O-N 2.84Å; A41-Q45 PolarHBondContact O-N 3.47Å |
| 42 | L | 63.8 | Low | 61.7 | Low | 104 Ų | 104 | 108 Ų | 108 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.8 | -35.6 | 178.1 | -131.2 | 81.3 | 0 | 0 | 0 | 111.6 | E39 | E39-L42 PolarHBondContact O-N 2.82Å |
| 43 | A | 67.7 | Low | 60.6 | Low | 37 Ų | 37 | 113 Ų | 113 | 31% | 0.306 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.5 | -46.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E39 E40 A41 R46 K47 | E39-A43 PolarHBondContact O-N 3.44Å; E40-A43 PolarHBondContact O-N 3.31Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A43-R46 PolarHBondContact O-N 2.89Å; A43-K47 WeakPolarHBondContact O-CB 3.25Å; A43-K47 PolarHBondContact O-N 3.32Å |
| 44 | N | 67.2 | Low | 59.8 | Low | 52 Ų | 52 | 114.5 Ų | 114.5 | 28% | 0.278 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.7 | -39.3 | 178.9 | -86.3 | -18.8 | 0 | 0 | 0 | 112 | E40 A41 R46 K47 E48 | E40-N44 VanDerWaalsContact CG-ND2 3.27Å; E40-N44 WeakPolarHBondContact CG-ND2 3.12Å; E40-N44 VanDerWaalsContact O-CB 3.27Å; E40-N44 WeakPolarHBondContact O-CB 3.25Å; E40-N44 PolarHBondContact O-N 2.85Å; E40-N44 PolarHBondContact OE1-ND2 3.47Å; A41-N44 PolarHBondContact O-N 2.84Å; N44-R46 VanDerWaalsContact C-N 3.26Å; N44-R46 PolarHBondContact O-N 2.85Å; N44-K47 CarbonylContact O-C 3.56Å; N44-K47 PolarHBondContact O-N 2.73Å; N44-K47 WeakPolarHBondContact OD1-CD 3.33Å; N44-K47 WeakPolarHBondContact OD1-CE 3.43Å; N44-K47 PolarHBondContact OD1-NZ 2.83Å; N44-E48 WeakPolarHBondContact O-CB 3.46Å; N44-E48 PolarHBondContact O-N 3.01Å |
| 45 | Q | 67.7 | Low | 59 | Low | 117 Ų | 117 | 118 Ų | 118 | 55% | 0.547 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.2 | -37.2 | 178.5 | -154.2 | -89.4 | -41.4 | 0 | 0 | 111.9 | A41 M49 | A41-Q45 PolarHBondContact O-N 3.47Å; Q45-M49 VanDerWaalsContact O-CE 3.32Å; Q45-M49 WeakPolarHBondContact O-CE 3.43Å; Q45-M49 WeakPolarHBondContact O-CG 3.41Å |
| 46 | R | 62.2 | Low | 58 | Low | 177 Ų | 177 | 123 Ų | 123 | 67% | 0.668 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.6 | -29.3 | 172.7 | -68.3 | 177.4 | 175.1 | 148.3 | -1 | 114.3 | A43 N44 | A43-R46 PolarHBondContact O-N 2.89Å; N44-R46 VanDerWaalsContact C-N 3.26Å; N44-R46 PolarHBondContact O-N 2.85Å |
| 47 | K | 67 | Low | 57.4 | Low | 83 Ų | 83 | 120.9 Ų | 120.9 | 36% | 0.361 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -90.8 | -27.6 | -172.7 | 171.2 | -177.9 | 157.2 | -148.6 | 0 | 112.8 | E40 A43 N44 A50 K51 | E40-K47 IonicContact OE1-NZ 3.97Å; A43-K47 WeakPolarHBondContact O-CB 3.25Å; A43-K47 PolarHBondContact O-N 3.32Å; N44-K47 CarbonylContact O-C 3.56Å; N44-K47 PolarHBondContact O-N 2.73Å; N44-K47 WeakPolarHBondContact OD1-CD 3.33Å; N44-K47 WeakPolarHBondContact OD1-CE 3.43Å; N44-K47 PolarHBondContact OD1-NZ 2.83Å; K47-A50 PolarHBondContact O-N 2.87Å; K47-K51 HydrophobicContact CG-CD 3.99Å; K47-K51 VanDerWaalsContact O-CB 3.25Å; K47-K51 WeakPolarHBondContact O-CB 3.1Å; K47-K51 WeakPolarHBondContact O-CG 3.41Å; K47-K51 PolarHBondContact O-N 2.9Å; K47-K51 VanDerWaalsContact O-N 3.16Å |
| 48 | E | 56.6 | Low | 56.4 | Low | 140 Ų | 140 | 126.6 Ų | 126.6 | 65% | 0.654 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.6 | -48.5 | 175.2 | -174.7 | -177.2 | 132.5 | 0 | 0 | 110.7 | N44 A50 K51 T52 | N44-E48 WeakPolarHBondContact O-CB 3.46Å; N44-E48 PolarHBondContact O-N 3.01Å; E48-A50 PolarHBondContact O-N 3.39Å; E48-K51 PolarHBondContact O-N 2.89Å; E48-T52 PolarHBondContact O-N 3.32Å; E48-T52 PolarHBondContact O-OG1 2.87Å; E48-T52 VanDerWaalsContact O-OG1 3.1Å |
| 49 | M | 51.4 | Low | 55.9 | Low | 130 Ų | 130 | 127.8 Ų | 127.8 | 64% | 0.64 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -18.3 | 172.1 | -65.9 | -167.3 | -63.9 | 0 | 0 | 113.2 | Q45 | Q45-M49 VanDerWaalsContact O-CE 3.32Å; Q45-M49 WeakPolarHBondContact O-CE 3.43Å; Q45-M49 WeakPolarHBondContact O-CG 3.41Å |
| 50 | A | 58 | Low | 54.7 | Low | 75 Ų | 75 | 131.4 Ų | 131.4 | 62% | 0.62 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -4.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K47 E48 | K47-A50 PolarHBondContact O-N 2.87Å; E48-A50 PolarHBondContact O-N 3.39Å |
| 51 | K | 58.2 | Low | 53.8 | Low | 144 Ų | 144 | 136 Ų | 136 | 63% | 0.626 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 0.6 | -173.1 | -72.5 | -173.4 | 179.7 | -165.7 | 0 | 115.7 | K47 E48 H53 | K47-K51 HydrophobicContact CG-CD 3.99Å; K47-K51 VanDerWaalsContact O-CB 3.25Å; K47-K51 WeakPolarHBondContact O-CB 3.1Å; K47-K51 WeakPolarHBondContact O-CG 3.41Å; K47-K51 PolarHBondContact O-N 2.9Å; K47-K51 VanDerWaalsContact O-N 3.16Å; E48-K51 PolarHBondContact O-N 2.89Å; K51-H53 PolarHBondContact O-N 2.95Å |
| 52 | T | 51.3 | Low | 52.9 | Low | 128 Ų | 128 | 141.4 Ų | 141.4 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -2 | 175.8 | 1.9 | 0 | 0 | 0 | 0 | 114.9 | E48 | E48-T52 PolarHBondContact O-N 3.32Å; E48-T52 PolarHBondContact O-OG1 2.87Å; E48-T52 VanDerWaalsContact O-OG1 3.1Å |
| 53 | H | 50.6 | Low | 52 | Low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.796 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -24.8 | -175.2 | -167.1 | -94.7 | 0 | 0 | 0 | 115.6 | K51 | K51-H53 PolarHBondContact O-N 2.95Š|
| 54 | H | 46.2 | Very low | 50.9 | Low | 169 Ų | 169 | 148.8 Ų | 148.8 | 78% | 0.782 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -132.8 | 19 | -155.6 | -137.4 | -54.7 | 0 | 0 | 0 | 118.5 | | |
| 55 | Q | 46 | Very low | 50 | Low | 179 Ų | 179 | 152.5 Ų | 152.5 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | | | trans | -135.5 | 44 | 175.1 | -153 | 179.5 | 91.3 | 0 | 0 | 114.6 | | |
| 56 | K | 39.5 | Very low | 49.2 | Very low | 223 Ų | 223 | 153.6 Ų | 153.6 | 97% | 0.97 | 74% | 0.744 | S | S | * | * | | | trans | -97.9 | 100.3 | 157.9 | -85.2 | -172 | 175.5 | 178.4 | 0 | 109 | | |
| 57 | G | 43.3 | Very low | 48.8 | Very low | 56 Ų | 56 | 152 Ų | 152 | 58% | 0.577 | 75% | 0.745 | S | S | * | * | | | trans | 115.3 | 144.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 58 | E | 42.6 | Very low | 47.7 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 94% | 0.935 | 76% | 0.761 | S | S | * | * | | | cis | -128.5 | 139.8 | 6.9 | -68.3 | 171.3 | 84.7 | 0 | 0 | 111.5 | | |
| 59 | K | 43.1 | Very low | 47 | Very low | 206 Ų | 206 | 159.9 Ų | 159.9 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | | | trans | -91.4 | 134.4 | 164.8 | -77 | -177.3 | 177.1 | 177.4 | 0 | 109.1 | | |
| 60 | K | 39.5 | Very low | 47 | Very low | 207 Ų | 207 | 157.4 Ų | 157.4 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | | | trans | 63.3 | 93.7 | 148.6 | -178.2 | -164.7 | 179.4 | -177.8 | 0 | 116.4 | | |
| 61 | K | 43.9 | Very low | 46.1 | Very low | 199 Ų | 199 | 163.4 Ų | 163.4 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | | | | 176.6 | 107.2 | 124.6 | -175 | 173.3 | 179.6 | -173.4 | 0 | 115.2 | | |
| 62 | K | 44.4 | Very low | 45.5 | Very low | 171 Ų | 171 | 163.1 Ų | 163.1 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | | | trans | 30.1 | 108.8 | 133.6 | -170.3 | 174.4 | 177.5 | 179.4 | 0 | 120.5 | | |
| 63 | E | 46.3 | Very low | 45 | Very low | 122 Ų | 122 | 166.1 Ų | 166.1 | 57% | 0.57 | 81% | 0.809 | S | S | * | * | | | | 83.1 | 130.9 | 128.6 | -162.9 | 176.4 | 175 | 0 | 0 | 122.8 | | |
| 64 | K | 43.2 | Very low | 44.8 | Very low | 174 Ų | 174 | 167.6 Ų | 167.6 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | | | trans | 44.4 | 112.5 | 155.9 | -67.4 | 167.4 | -171.8 | 154.7 | 0 | 120.8 | | |
| 65 | T | 48.6 | Very low | 44.8 | Very low | 131 Ų | 131 | 168 Ų | 168 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -158.4 | 105.6 | 130.4 | -73.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 66 | V | 52.2 | Low | 44.7 | Very low | 139 Ų | 139 | 168.2 Ų | 168.2 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | | | | 74.8 | 142.7 | 88.3 | 127.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 67 | E | 52.8 | Low | 45.2 | Very low | 145 Ų | 145 | 163.8 Ų | 163.8 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | -89.8 | 174.9 | -162 | -39.5 | 175.9 | 76.8 | 0 | 0 | 116.5 | | |
| 68 | K | 43.8 | Very low | 45.5 | Very low | 163 Ų | 163 | 169.2 Ų | 169.2 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | | | trans | 61.9 | 97.8 | 148.2 | -70 | 176 | 179.7 | 79.7 | 0 | 118.4 | | |
| 69 | K | 42.1 | Very low | 46.3 | Very low | 224 Ų | 224 | 165.9 Ų | 165.9 | 97% | 0.974 | 80% | 0.8 | S | S | * | * | | | trans | -166 | 146.4 | 132.6 | -112.6 | 170.6 | -176.7 | 177.9 | 0 | 112 | | |
| 70 | G | 51.2 | Low | 46.1 | Very low | 79 Ų | 79 | 164.2 Ų | 164.2 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | | | trans | 138.7 | 101.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 71 | K | 39.4 | Very low | 46.4 | Very low | 200 Ų | 200 | 157.4 Ų | 157.4 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | trans | -146.4 | 100.8 | 179.6 | -175.4 | 177.1 | -178.8 | 175.7 | 0 | 111.8 | | |
| 72 | T | 46.2 | Very low | 46.7 | Very low | 138 Ų | 138 | 157.1 Ų | 157.1 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -157.6 | 120.1 | 179.4 | 6.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 73 | K | 41.2 | Very low | 47.4 | Very low | 191 Ų | 191 | 155.4 Ų | 155.4 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | cis | 85.5 | 70.1 | 15.6 | -154.5 | -166.9 | -179.5 | -175.7 | 0 | 117.3 | | |
| 74 | K | 45.3 | Very low | 47.9 | Very low | 203 Ų | 203 | 155.9 Ų | 155.9 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -179.6 | 155.8 | 133.2 | -105.8 | -179.3 | 176.3 | -173.2 | 0 | 112.5 | | |
| 75 | K | 46.3 | Very low | 48.3 | Very low | 177 Ų | 177 | 156 Ų | 156 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | trans | 59.7 | 122 | -179.4 | -77.1 | -161 | 169.9 | -153.3 | 0 | 115.3 | | |
| 76 | E | 44.9 | Very low | 48.7 | Very low | 184 Ų | 184 | 158.1 Ų | 158.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | cis | 74.2 | 144.9 | 15.1 | -147.1 | -169.8 | 138.5 | 0 | 0 | 116.1 | | |
| 77 | E | 49.5 | Very low | 48.3 | Very low | 131 Ų | 131 | 158.5 Ų | 158.5 | 61% | 0.612 | 80% | 0.8 | S | S | * | * | | | trans | 81.2 | 119.9 | -179.1 | -162 | 165.5 | -147.6 | 0 | 0 | 115.4 | | |
| 78 | K | 48.7 | Very low | 48.6 | Very low | 170 Ų | 170 | 157.8 Ų | 157.8 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | | | cis | -156.8 | 145.6 | -6.8 | -124.1 | 166.2 | -155.2 | 152 | 0 | 109.6 | | |
| 79 | P | 59.5 | Low | 48.7 | Very low | 129 Ų | 129 | 156.4 Ų | 156.4 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | -92.5 | 120.5 | 171.9 | 33.6 | -29.5 | 0 | 0 | 0 | 111.9 | | |
| 80 | N | 40.1 | Very low | 49.3 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | | | trans | -156.7 | 140.9 | 156.1 | -153.1 | -10.4 | 0 | 0 | 0 | 110.9 | | |
| 81 | G | 45.4 | Very low | 49.1 | Very low | 64 Ų | 64 | 153.6 Ų | 153.6 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | trans | -90.3 | -166 | -153.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 82 | K | 49.9 | Very low | 50.1 | Low | 193 Ų | 193 | 150.2 Ų | 150.2 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | trans | -143 | 121.5 | 137.1 | -74.9 | -152.8 | 175.4 | -170.6 | 0 | 110.2 | | |
| 83 | I | 59.1 | Low | 50.1 | Low | 135 Ų | 135 | 148.2 Ų | 148.2 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | 59.3 | 102.4 | 149.6 | -49.4 | 158.2 | 0 | 0 | 0 | 117.2 | E85 | I83-E85 HydrophobicContact CG2-CB 4.34Å; I83-E85 HydrophobicContact CG2-CG 3.49Å; I83-E85 VanDerWaalsContact CG2-CG 3.49Å |
| 84 | P | 57.4 | Low | 50.8 | Low | 132 Ų | 132 | 145.4 Ų | 145.4 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | -79.6 | 128.2 | 142.9 | 9.2 | 9.6 | 0 | 0 | 0 | 109.7 | | |
| 85 | E | 50.7 | Low | 51.1 | Low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | trans | -123.5 | 138.6 | 164.7 | -81.1 | -100.8 | 78.8 | 0 | 0 | 108 | I83 | I83-E85 HydrophobicContact CG2-CB 4.34Å; I83-E85 HydrophobicContact CG2-CG 3.49Å; I83-E85 VanDerWaalsContact CG2-CG 3.49Å |
| 86 | H | 56.9 | Low | 51.2 | Low | 175 Ų | 175 | 141.8 Ų | 141.8 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | | | trans | -115.2 | 96 | -179.6 | 162.4 | -68.2 | 0 | 0 | 0 | 107.1 | | |
| 87 | D | 44.7 | Very low | 51.3 | Low | 147 Ų | 147 | 141.5 Ų | 141.5 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | | | trans | -106.2 | 98.5 | 179.9 | -162.2 | -143 | 0 | 0 | 0 | 111.6 | | |
| 88 | L | 58.2 | Low | 50.7 | Low | 131 Ų | 131 | 142.8 Ų | 142.8 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | | | trans | 26.8 | 111.3 | 149.2 | -63.4 | 165.1 | 0 | 0 | 0 | 120 | | |
| 89 | D | 45.9 | Very low | 51 | Low | 134 Ų | 134 | 139.9 Ų | 139.9 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | trans | -52.7 | 134.2 | 142.8 | -160 | -105.6 | 0 | 0 | 0 | 108.6 | | |
| 90 | P | 55 | Low | 50.2 | Low | 100 Ų | 100 | 138.5 Ų | 138.5 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | | | | -150.9 | 132.3 | 75 | 36.7 | -15.7 | 0 | 0 | 0 | 117.5 | | |
| 91 | N | 47.6 | Very low | 50.5 | Low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | | | trans | -123.6 | 29.4 | 160 | -153.8 | -114.5 | 0 | 0 | 0 | 115 | T93 | N91-T93 PolarHBondContact O-N 3.2Š|
| 92 | V | 59.2 | Low | 50.5 | Low | 129 Ų | 129 | 143.9 Ų | 143.9 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | | | trans | -82.6 | 56.2 | 165.6 | -166.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 93 | T | 46.9 | Very low | 50 | Low | 96 Ų | 96 | 139.8 Ų | 139.8 | 59% | 0.589 | 74% | 0.741 | S | S | * | * | | | trans | -103.4 | 89.5 | -173.9 | -60.8 | 0 | 0 | 0 | 0 | 113.3 | N91 I95 | N91-T93 PolarHBondContact O-N 3.2Å; T93-I95 PolarHBondContact O-N 2.68Å |
| 94 | I | 56.5 | Low | 49 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 68% | 0.677 | 75% | 0.746 | S | S | * | * | | | | 38.8 | 77.2 | 127.9 | -45.3 | 170.3 | 0 | 0 | 0 | 116.8 | L96 | I94-L96 HydrophobicContact CG2-CB 3.92Å; I94-L96 HydrophobicContact CG2-CD2 3.83Å |
| 95 | I | 51.7 | Low | 48.6 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | | | trans | -141.1 | 98.2 | 144.2 | -52.7 | 179.1 | 0 | 0 | 0 | 105.7 | T93 K97 | T93-I95 PolarHBondContact O-N 2.68Å; I95-K97 HydrophobicContact CG2-CB 4.34Å |
| 96 | L | 47 | Very low | 48.1 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | cis | 58 | 40.7 | 24.8 | -153.5 | 75.2 | 0 | 0 | 0 | 115.3 | I94 | I94-L96 HydrophobicContact CG2-CB 3.92Å; I94-L96 HydrophobicContact CG2-CD2 3.83Å |
| 97 | K | 47.5 | Very low | 48.1 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | | | trans | -150.9 | 100.5 | 143.9 | -145 | 69.5 | 173.2 | 179.8 | 0 | 113 | I95 P99 | I95-K97 HydrophobicContact CG2-CB 4.34Å; K97-P99 WeakPolarHBondContact O-CD 3.45Å |
| 98 | E | 37.5 | Very low | 47.8 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | trans | -60.3 | 124.3 | 156.8 | 178.5 | -168.8 | 172.9 | 0 | 0 | 109.5 | V100 | E98-V100 HydrophobicContact CG-CG2 4.14Å; E98-V100 WeakPolarHBondContact OE1-CG2 3.35Å |
| 99 | P | 54.2 | Low | 47.5 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | trans | -104.8 | 87.1 | 173.7 | 33.9 | -22.2 | 0 | 0 | 0 | 110.5 | K97 R101 | K97-P99 WeakPolarHBondContact O-CD 3.45Å; P99-R101 PolarHBondContact O-N 3.42Å |
| 100 | V | 43.8 | Very low | 47.4 | Very low | 100 Ų | 100 | 129 Ų | 129 | 61% | 0.606 | 75% | 0.748 | S | S | * | * | | | trans | -59.6 | 104.7 | 169.9 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | E98 V102 | E98-V100 HydrophobicContact CG-CG2 4.14Å; E98-V100 WeakPolarHBondContact OE1-CG2 3.35Å; V100-V102 HydrophobicContact CG1-CG2 3.83Å |
| 101 | R | 46.5 | Very low | 46.8 | Very low | 230 Ų | 230 | 129.9 Ų | 129.9 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | | | trans | -139.7 | 83.1 | 161.5 | -73.8 | -160 | -92.6 | -159.3 | -3.8 | 107.7 | P99 | P99-R101 PolarHBondContact O-N 3.42Š|
| 102 | V | 44.7 | Very low | 46.7 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | | 65.7 | 122 | 82.8 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | V100 | V100-V102 HydrophobicContact CG1-CG2 3.83Š|
| 103 | S | 38.3 | Very low | 46.3 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -47.8 | 137.9 | 179.2 | -176.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 104 | A | 39.4 | Very low | 46 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | | | trans | -143.6 | 103 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 105 | V | 48.2 | Very low | 45.3 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | | | trans | -91.3 | 100.9 | 172.2 | 173.2 | 0 | 0 | 0 | 0 | 109 | | |
| 106 | A | 41.1 | Very low | 45.1 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -170.9 | 148.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 107 | V | 55.3 | Low | 44.9 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | cis | -133.4 | 165.8 | 7.7 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 108 | A | 40.3 | Very low | 44.9 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | | | trans | -57 | 160.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 109 | P | 50 | Low | 45.1 | Very low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | | | trans | -76.5 | 134.3 | -176 | 30.7 | -36.4 | 0 | 0 | 0 | 114 | S111 | P109-S111 PolarHBondContact O-N 2.92Š|
| 110 | T | 45.5 | Very low | 45.3 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | trans | -84.2 | 108.4 | 177.5 | -29.3 | 0 | 0 | 0 | 0 | 111.6 | V112 | T110-V112 HydrophobicContact CG2-CG1 4.44Å; T110-V112 PolarHBondContact O-N 3.27Å |
| 111 | S | 42.4 | Very low | 45.7 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -75.6 | 119.5 | 168.7 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | P109 | P109-S111 PolarHBondContact O-N 2.92Š|
| 112 | V | 44.7 | Very low | 45.7 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | | | trans | -135 | 92.6 | 172.2 | -76.8 | 0 | 0 | 0 | 0 | 112.2 | T110 | T110-V112 HydrophobicContact CG2-CG1 4.44Å; T110-V112 PolarHBondContact O-N 3.27Å |
| 113 | H | 50.9 | Low | 45.7 | Very low | 177 Ų | 177 | 122 Ų | 122 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | | | trans | 46.8 | 115.4 | 131.7 | -127.5 | -117.4 | 0 | 0 | 0 | 120.7 | | |
| 114 | S | 40.2 | Very low | 46.4 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | 56.4 | 115.2 | 132.2 | 179 | 0 | 0 | 0 | 0 | 120.3 | | |
| 115 | S | 42.3 | Very low | 46.6 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | | -162.8 | 151.9 | 106.3 | -157.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 116 | V | 48.3 | Very low | 46.4 | Very low | 143 Ų | 143 | 121.9 Ų | 121.9 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | -44 | 136.3 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 117 | G | 42.4 | Very low | 47.3 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | trans | -166.2 | 29.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | T119 | G117-T119 PolarHBondContact O-N 2.84Š|
| 118 | H | 46.1 | Very low | 46.7 | Very low | 186 Ų | 186 | 125.2 Ų | 125.2 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -82.7 | 98.2 | -178.9 | -74.1 | -176.3 | 0 | 0 | 0 | 113.1 | | |
| 119 | T | 43.7 | Very low | 46.8 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | -142.7 | 87.8 | 166.7 | 55 | 0 | 0 | 0 | 0 | 113.8 | G117 | G117-T119 PolarHBondContact O-N 2.84Š|
| 120 | P | 57.3 | Low | 46.4 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -90 | 107 | 161.9 | 32.6 | -28.2 | 0 | 0 | 0 | 111.3 | | |
| 121 | I | 51.8 | Low | 46.1 | Very low | 166 Ų | 166 | 127.8 Ų | 127.8 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | 41.8 | 114 | 147.3 | -59.5 | 173.3 | 0 | 0 | 0 | 117.9 | | |
| 122 | A | 46 | Very low | 46.1 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | -85.2 | 133.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 123 | T | 45.9 | Very low | 45.9 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | | | trans | 49.6 | 101.7 | 138 | -48.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 124 | V | 53.7 | Low | 45.9 | Very low | 141 Ų | 141 | 122 Ų | 122 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | | | | -150.1 | 122.8 | 120.7 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 125 | P | 42.1 | Very low | 46.1 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | | | trans | -112.9 | 125.8 | 171.5 | 35.6 | -25.8 | 0 | 0 | 0 | 114 | | |
| 126 | A | 45.4 | Very low | 46.1 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | | | trans | -153.3 | 104.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 127 | M | 59.5 | Low | 46.3 | Very low | 185 Ų | 185 | 126.5 Ų | 126.5 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | | | | 90.3 | 145.2 | 77.5 | -74.1 | -77.3 | -175 | 0 | 0 | 113.3 | | |
| 128 | P | 41.5 | Very low | 46.7 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | trans | -125.7 | 158.3 | -138.7 | 36.7 | -20.6 | 0 | 0 | 0 | 119.2 | | |
| 129 | Q | 42.7 | Very low | 46.9 | Very low | 163 Ų | 163 | 132 Ų | 132 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | trans | 11.4 | 127.8 | 151.8 | -175.5 | -178.6 | 82.2 | 0 | 0 | 121.3 | | |
| 130 | E | 41.3 | Very low | 47 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 43% | 0.425 | 75% | 0.753 | S | S | . | * | | | trans | -155.7 | 169.6 | 141.9 | -116.2 | -174.8 | 150.8 | 0 | 0 | 110 | S221 R222 | E130-S221 CarbonylContact C-O 3.24Å; E130-S221 WeakPolarHBondContact CB-O 3.11Å; E130-S221 WeakPolarHBondContact CG-O 3.34Å; E130-S221 VanDerWaalsContact OE1-C 3.22Å; E130-S221 WeakPolarHBondContact OE1-CA 3.44Å; E130-R222 HydrophobicContact CB-CB 4.45Å; E130-R222 VanDerWaalsContact CD-N 3.31Å; E130-R222 PolarHBondContact O-NH2 3.22Å; E130-R222 PolarHBondContact OE1-N 3.22Å; E130-R222 WeakPolarHBondContact OE2-CA 2.72Å; E130-R222 PolarHBondContact OE2-N 2.8Å |
| 131 | K | 39.5 | Very low | 46.6 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 58% | 0.578 | 75% | 0.749 | S | S | * | * | | | trans | -113.9 | -126.4 | -169.6 | -52.7 | -159.6 | 175.5 | -169.2 | 0 | 113.1 | S221 R222 | K131-S221 CarbonylContact C-O 3.6Å; K131-S221 VanDerWaalsContact C-O 3.24Å; K131-S221 WeakPolarHBondContact CA-O 3.29Å; K131-S221 PolarHBondContact N-O 3.5Å; K131-R222 WeakPolarHBondContact O-CD 3.38Å; K131-R222 PolarHBondContact O-NE 2.93Å |
| 132 | L | 42.2 | Very low | 46.5 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | | | cis | -136.2 | -147.5 | -4.5 | -143.9 | 176.5 | 0 | 0 | 0 | 108.7 | S221 | L132-S221 WeakPolarHBondContact CB-OG 3.42Å; L132-S221 WeakPolarHBondContact CD1-OG 3.47Å |
| 133 | A | 41.3 | Very low | 46.7 | Very low | 82 Ų | 82 | 140.6 Ų | 140.6 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | -157.6 | 149.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 134 | S | 49.9 | Very low | 47 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | 170 | 131.1 | 132.9 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 135 | S | 44.5 | Very low | 46.7 | Very low | 112 Ų | 112 | 146 Ų | 146 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | | 163.3 | 120.2 | 129.2 | -78 | 0 | 0 | 0 | 0 | 112.6 | | |
| 136 | P | 43.7 | Very low | 46.6 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | trans | -89.4 | 142.2 | 170.8 | 34.5 | -31.7 | 0 | 0 | 0 | 111.9 | | |
| 137 | K | 51.1 | Low | 46.9 | Very low | 210 Ų | 210 | 147.9 Ų | 147.9 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | | | trans | -154.1 | 123.5 | 164 | -120 | 168.7 | -173.1 | 173.3 | 0 | 114.3 | | |
| 138 | D | 50.6 | Low | 46.3 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -30.4 | 136.5 | 161.4 | -155 | -71.8 | 0 | 0 | 0 | 116.4 | | |
| 139 | R | 51.2 | Low | 46.4 | Very low | 233 Ų | 233 | 150.1 Ų | 150.1 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | | | | 165 | 90.7 | 124.3 | -86.9 | 173.1 | -175 | -163.3 | 0.2 | 116.4 | | |
| 140 | K | 45.1 | Very low | 46.3 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | | | | 26 | 122.8 | 123.9 | -169.9 | 168.2 | -178.1 | 174.5 | 0 | 120.8 | | |
| 141 | K | 48.6 | Very low | 46.4 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | | | trans | 81.5 | 109.2 | 142 | -172.1 | -173.3 | -179 | 179.3 | 0 | 121.7 | E143 | K141-E143 WeakPolarHBondContact CE-OE2 3.28Å; K141-E143 IonicContact NZ-OE2 3.2Å; K141-E143 PolarHBondContact NZ-OE2 3.16Å |
| 142 | K | 50.6 | Low | 46.9 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | | -171 | 109.7 | 127.3 | -149.4 | 169 | -175.5 | 175.1 | 0 | 108.9 | | |
| 143 | E | 49.8 | Very low | 47.3 | Very low | 135 Ų | 135 | 150.4 Ų | 150.4 | 63% | 0.631 | 80% | 0.796 | S | S | * | * | | | | 68.4 | 98.5 | 68.2 | -75.8 | -158.6 | 80.3 | 0 | 0 | 117.8 | K141 | K141-E143 WeakPolarHBondContact CE-OE2 3.28Å; K141-E143 IonicContact NZ-OE2 3.2Å; K141-E143 PolarHBondContact NZ-OE2 3.16Å |
| 144 | K | 53.4 | Low | 47.6 | Very low | 197 Ų | 197 | 151.8 Ų | 151.8 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | | -161.1 | 117.1 | 129.6 | -105.4 | -173.3 | 176 | -175.9 | 0 | 108.8 | | |
| 145 | K | 46.6 | Very low | 47.7 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | | | | 61.1 | 91.3 | 95.3 | -67.7 | -79.5 | -174.5 | 172.6 | 0 | 112 | | |
| 146 | V | 40.2 | Very low | 48.1 | Very low | 140 Ų | 140 | 153.5 Ų | 153.5 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | | 71 | 100.6 | 78.1 | 176.7 | 0 | 0 | 0 | 0 | 113 | | |
| 147 | A | 51.3 | Low | 48.4 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -144.1 | 138.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 148 | K | 46.8 | Very low | 48.5 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | | | trans | -125.3 | 73.9 | -169.1 | -172.4 | -165.8 | 170.1 | -177.9 | 0 | 112 | | |
| 149 | V | 43.3 | Very low | 48.7 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -156.9 | 131.1 | 172.7 | 178.8 | 0 | 0 | 0 | 0 | 104.9 | | |
| 150 | E | 41.5 | Very low | 49 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | cis | -148.4 | 147.7 | -7 | -177.9 | -177 | -178.7 | 0 | 0 | 107.5 | A152 | E150-A152 PolarHBondContact O-N 3.09Š|
| 151 | P | 43.8 | Very low | 49.5 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | | | trans | -75.6 | 111.2 | 173.9 | 30.6 | -34.4 | 0 | 0 | 0 | 111.9 | V153 | P151-V153 VanDerWaalsContact C-N 3.31Å; P151-V153 HydrophobicContact CB-CG2 4.13Å; P151-V153 PolarHBondContact O-N 3.03Å |
| 152 | A | 49.5 | Very low | 49.5 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -75.2 | 71.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E150 S154 | E150-A152 PolarHBondContact O-N 3.09Å; A152-S154 PolarHBondContact O-N 3.18Å |
| 153 | V | 50.9 | Low | 49.6 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -82.9 | 51.8 | -179.8 | -162.9 | 0 | 0 | 0 | 0 | 111.8 | P151 | P151-V153 VanDerWaalsContact C-N 3.31Å; P151-V153 HydrophobicContact CB-CG2 4.13Å; P151-V153 PolarHBondContact O-N 3.03Å |
| 154 | S | 47.5 | Very low | 49.5 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | -134.5 | 89.6 | -163.6 | -64.7 | 0 | 0 | 0 | 0 | 114.1 | A152 | A152-S154 PolarHBondContact O-N 3.18Š|
| 155 | S | 51.3 | Low | 49.2 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -167.4 | -55 | 156.2 | 177.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 156 | I | 52.4 | Low | 49.5 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -89.7 | -19.9 | -155.6 | -67.8 | 171.1 | 0 | 0 | 0 | 114.8 | | |
| 157 | V | 51.1 | Low | 49.9 | Very low | 115 Ų | 115 | 129 Ų | 129 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -84.2 | -23.5 | -169.9 | 179.8 | 0 | 0 | 0 | 0 | 114.1 | S159 | V157-S159 PolarHBondContact O-N 3.23Š|
| 158 | N | 53.7 | Low | 49.7 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -20.4 | -169 | -154.6 | 8.8 | 0 | 0 | 0 | 114.2 | | |
| 159 | S | 54.7 | Low | 49.9 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -14.6 | -174.4 | -165.1 | 0 | 0 | 0 | 0 | 114.9 | V157 | V157-S159 PolarHBondContact O-N 3.23Š|
| 160 | I | 57.3 | Low | 50.1 | Low | 155 Ų | 155 | 125.9 Ų | 125.9 | 80% | 0.795 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -95.3 | -13.6 | -177.7 | -61.4 | 178.3 | 0 | 0 | 0 | 111.2 | | |
| 161 | Q | 54.5 | Low | 50.1 | Low | 152 Ų | 152 | 125.9 Ų | 125.9 | 71% | 0.71 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -96.6 | -12 | -172 | -160.3 | 172.2 | 96.3 | 0 | 0 | 114.5 | | |
| 162 | V | 49.9 | Very low | 50.3 | Low | 108 Ų | 108 | 124.9 Ų | 124.9 | 66% | 0.655 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -104.5 | 23.4 | -171.4 | -164.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 163 | L | 52.1 | Low | 49.9 | Very low | 160 Ų | 160 | 126 Ų | 126 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | | | trans | -140.3 | 67.4 | 168.3 | -167.5 | 78.4 | 0 | 0 | 0 | 108.4 | | |
| 164 | A | 47.1 | Very low | 49.5 | Very low | 65 Ų | 65 | 125.6 Ų | 125.6 | 54% | 0.537 | 74% | 0.738 | S | S | . | * | | | cis | 51.6 | 128.9 | 47.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 165 | S | 46.7 | Very low | 49.6 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | cis | -175 | 154.7 | -7.8 | -105.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 166 | K | 53.2 | Low | 49.1 | Very low | 200 Ų | 200 | 130.5 Ų | 130.5 | 87% | 0.87 | 73% | 0.734 | S | S | * | * | | | trans | 72.5 | 155.5 | -175.6 | -42.3 | 147 | -179.2 | -69.6 | 0 | 111.1 | | |
| 167 | S | 50 | Low | 48.7 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | | | cis | 179.9 | 162.5 | -6.9 | 37.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 168 | A | 47 | Very low | 48.3 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | | | cis | -177.3 | 168.6 | -23.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 169 | I | 50.1 | Low | 47.8 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | trans | 79.6 | 142.5 | 153 | -68 | 154.1 | 0 | 0 | 0 | 119.2 | | |
| 170 | L | 47.5 | Very low | 47.3 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | 65.8 | 143.2 | 172.4 | -71.7 | 164.9 | 0 | 0 | 0 | 118.9 | | |
| 171 | E | 42.1 | Very low | 46.6 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | cis | 161.9 | 146.2 | -45.5 | 175 | -179.8 | 145.4 | 0 | 0 | 109.6 | | |
| 172 | A | 47.3 | Very low | 46.2 | Very low | 83 Ų | 83 | 130.9 Ų | 130.9 | 69% | 0.686 | 74% | 0.739 | S | S | * | * | | | trans | 64 | 158.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 173 | T | 41.9 | Very low | 46 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | | | cis | -164.2 | 135.5 | -34 | -87.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 174 | P | 42.6 | Very low | 45.8 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | trans | -90.5 | 136.8 | -178.8 | 33.7 | -33.8 | 0 | 0 | 0 | 113.9 | | |
| 175 | K | 48.3 | Very low | 46 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | | | trans | -166.7 | 136 | 161.5 | -117.2 | 162.5 | 179.5 | -78.7 | 0 | 116.6 | | |
| 176 | E | 42.3 | Very low | 46.2 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | trans | 46.7 | 107.9 | 142.4 | -72.2 | 179.2 | 82.4 | 0 | 0 | 124.5 | | |
| 177 | A | 42.4 | Very low | 46.1 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | | 73.1 | 146.6 | 107.1 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 178 | K | 42.8 | Very low | 46 | Very low | 196 Ų | 196 | 132.8 Ų | 132.8 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | | | trans | 73.4 | 148.6 | 167.4 | -65.1 | 170.7 | -178.8 | 162.4 | 0 | 114.8 | | |
| 179 | K | 44.2 | Very low | 45.9 | Very low | 180 Ų | 180 | 138 Ų | 138 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | cis | -163.5 | 168.6 | 3.1 | -132.5 | -174.9 | 174.2 | -165.3 | 0 | 111 | | |
| 180 | V | 44.6 | Very low | 45.6 | Very low | 116 Ų | 116 | 135 Ų | 135 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | | | trans | 70.2 | 113.2 | 151 | 163.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 181 | D | 42.6 | Very low | 45.4 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | | 81.8 | 144.3 | 85.6 | -125.2 | -121.8 | 0 | 0 | 0 | 112 | | |
| 182 | A | 45.3 | Very low | 45.6 | Very low | 76 Ų | 76 | 137.5 Ų | 137.5 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | | | cis | -155.7 | 176.7 | 12.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 183 | A | 45.8 | Very low | 45.5 | Very low | 104 Ų | 104 | 138 Ų | 138 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | 65.7 | 160.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 184 | A | 47 | Very low | 45.9 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | cis | -172.3 | 166.2 | -20.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 185 | N | 52 | Low | 46.1 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | | | cis | -171.1 | 159.1 | -31.6 | -170.1 | 2.8 | 0 | 0 | 0 | 109 | | |
| 186 | Q | 51.9 | Low | 46.1 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | 75.3 | 146.2 | 168.4 | -55.4 | -171.8 | 20.5 | 0 | 0 | 120.6 | | |
| 187 | G | 50.5 | Low | 46.2 | Very low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | trans | 101.1 | 85.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 188 | K | 47.1 | Very low | 46.7 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | | | cis | 54.8 | 124.7 | 38.4 | -65.5 | -173.3 | 179.5 | 179.8 | 0 | 111.4 | | |
| 189 | K | 45.7 | Very low | 46.5 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | | | cis | -164 | 153.9 | 18 | -168.6 | -164.2 | 177.8 | -169.3 | 0 | 111.3 | | |
| 190 | S | 44.6 | Very low | 46.6 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | | | trans | 55.4 | 127.4 | 157.1 | 46.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 191 | E | 42.3 | Very low | 46.4 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | cis | 80.8 | 110.4 | 40.6 | -169.2 | -172.8 | 114.6 | 0 | 0 | 114.6 | | |
| 192 | M | 46.7 | Very low | 46.5 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | | | trans | -175.9 | 169.5 | 131.1 | -96.9 | 170.8 | 83.7 | 0 | 0 | 110.9 | | |
| 193 | A | 45.3 | Very low | 46.4 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -114.7 | 174.3 | -154.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 194 | P | 49.4 | Very low | 46.7 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | trans | -98.2 | 167.8 | -161.6 | 39 | -36.7 | 0 | 0 | 0 | 116 | | |
| 195 | A | 46.8 | Very low | 46.6 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -147.3 | 143.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 196 | Q | 48.3 | Very low | 46.4 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | 8.4 | 131 | 154.6 | -58.3 | 164.6 | -89.8 | 0 | 0 | 118.4 | | |
| 197 | G | 45.7 | Very low | 45.9 | Very low | 73 Ų | 73 | 144.5 Ų | 144.5 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | cis | 118.9 | 148.6 | 36.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 198 | Q | 52.7 | Low | 45.6 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 95% | 0.949 | 81% | 0.81 | S | S | * | * | | | trans | -165.2 | 148.5 | 155.6 | -112 | 174.2 | 24.1 | 0 | 0 | 111.5 | | |
| 199 | K | 37.9 | Very low | 45.6 | Very low | 213 Ų | 213 | 141.5 Ų | 141.5 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | | | trans | -141.1 | 137.4 | 170.5 | -92.1 | -166.4 | 175.6 | -173.6 | 0 | 109.4 | | |
| 200 | A | 45.9 | Very low | 45.8 | Very low | 90 Ų | 90 | 142 Ų | 142 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | | | trans | -150.7 | 127 | 167 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 201 | S | 40.2 | Very low | 46 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | | 75.8 | 137.1 | 80.6 | 100.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 202 | M | 45.8 | Very low | 46.1 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | cis | -173.6 | 152.8 | -1.7 | 179.6 | 54.2 | 165 | 0 | 0 | 110.5 | | |
| 203 | V | 43.3 | Very low | 46.2 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | | | trans | 73.8 | 153.7 | 155.1 | 145.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 204 | Q | 50.7 | Low | 46.3 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | | | trans | 88.8 | 97.5 | 166 | -152.7 | 166.4 | 95.4 | 0 | 0 | 116.3 | | |
| 205 | S | 45.4 | Very low | 46.5 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | cis | 89.8 | 93.7 | 17.2 | -155.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 206 | Q | 48.2 | Very low | 46.5 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | -169.5 | 130.8 | 146.4 | -101.2 | 165.4 | 93.7 | 0 | 0 | 105.4 | | |
| 207 | E | 41.6 | Very low | 46.3 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | cis | 81.9 | 126.9 | 36.4 | -161.4 | -177.5 | 139.1 | 0 | 0 | 112.1 | | |
| 208 | A | 44.9 | Very low | 46.4 | Very low | 88 Ų | 88 | 148.9 Ų | 148.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | cis | -160.1 | 175 | -8.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 209 | P | 46.3 | Very low | 46.2 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -114 | -178.8 | -159.3 | 42.7 | -35.9 | 0 | 0 | 0 | 118.1 | | |
| 210 | K | 50.6 | Low | 46.8 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | -167.9 | 136.3 | 162.7 | -95.2 | 136.5 | -175.3 | 174.2 | 0 | 108.2 | | |
| 211 | Q | 47.2 | Very low | 47.3 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | | 59 | 134.2 | 50.8 | -73.6 | -162.3 | -91.7 | 0 | 0 | 113.8 | | |
| 212 | D | 44.8 | Very low | 47.7 | Very low | 128 Ų | 128 | 137 Ų | 137 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | | | cis | -163.3 | -174.4 | -1.3 | -128.1 | -57.2 | 0 | 0 | 0 | 108 | | |
| 213 | A | 48.6 | Very low | 48 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | | | cis | -159 | 169.7 | 2.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 214 | P | 49 | Very low | 48.5 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -107.6 | 143.1 | -164.2 | 38.3 | -34.4 | 0 | 0 | 0 | 119.5 | | |
| 215 | A | 51.8 | Low | 48.6 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | -158.8 | 130.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 216 | K | 47.7 | Very low | 48.9 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | | 95.5 | 118.7 | 54.1 | -88.1 | 179.1 | 177.3 | 167.5 | 0 | 114.9 | | |
| 217 | K | 45 | Very low | 49.2 | Very low | 204 Ų | 204 | 138.2 Ų | 138.2 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | | | trans | 76.9 | 159.8 | 162.9 | -58.1 | 172.5 | -179 | 175.7 | 0 | 118.1 | | |
| 218 | K | 46.4 | Very low | 50.1 | Low | 183 Ų | 183 | 135.9 Ų | 135.9 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | | | cis | -177.6 | 128.8 | -32.1 | -175.9 | -158.8 | 175.2 | -173.5 | 0 | 111.2 | | |
| 219 | S | 49.9 | Very low | 50.4 | Low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | 59.2 | 167.9 | 166.2 | 43 | 0 | 0 | 0 | 0 | 117.4 | | |
| 220 | G | 49.8 | Very low | 50.6 | Low | 45 Ų | 45 | 142.6 Ų | 142.6 | 46% | 0.464 | 78% | 0.779 | S | S | . | * | | | cis | 147.6 | 160.5 | -3.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 221 | S | 56.6 | Low | 50.6 | Low | 56 Ų | 56 | 139.6 Ų | 139.6 | 39% | 0.392 | 77% | 0.774 | S | S | . | * | | | trans | 156.6 | -173.7 | -173.8 | -61.2 | 0 | 0 | 0 | 0 | 111 | E130 K131 L132 | E130-S221 CarbonylContact C-O 3.24Å; E130-S221 WeakPolarHBondContact CB-O 3.11Å; E130-S221 WeakPolarHBondContact CG-O 3.34Å; E130-S221 VanDerWaalsContact OE1-C 3.22Å; E130-S221 WeakPolarHBondContact OE1-CA 3.44Å; K131-S221 CarbonylContact C-O 3.6Å; K131-S221 VanDerWaalsContact C-O 3.24Å; K131-S221 WeakPolarHBondContact CA-O 3.29Å; K131-S221 PolarHBondContact N-O 3.5Å; L132-S221 WeakPolarHBondContact CB-OG 3.42Å; L132-S221 WeakPolarHBondContact CD1-OG 3.47Å |
| 222 | R | 48.2 | Very low | 50.8 | Low | 174 Ų | 174 | 137.8 Ų | 137.8 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | trans | -176 | 150.4 | 165.5 | -174.9 | 155.9 | -78.7 | -95.9 | 2.8 | 114.3 | E130 K131 | E130-R222 HydrophobicContact CB-CB 4.45Å; E130-R222 VanDerWaalsContact CD-N 3.31Å; E130-R222 PolarHBondContact O-NH2 3.22Å; E130-R222 PolarHBondContact OE1-N 3.22Å; E130-R222 WeakPolarHBondContact OE2-CA 2.72Å; E130-R222 PolarHBondContact OE2-N 2.8Å; K131-R222 WeakPolarHBondContact O-CD 3.38Å; K131-R222 PolarHBondContact O-NE 2.93Å |
| 223 | K | 53 | Low | 51.2 | Low | 187 Ų | 187 | 138.4 Ų | 138.4 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -146.5 | 165.4 | 167.6 | -160.6 | 176.6 | -175.6 | -176.8 | 0 | 111.7 | | |
| 224 | K | 52.4 | Low | 51.3 | Low | 205 Ų | 205 | 141.8 Ų | 141.8 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | | -170.3 | 138.8 | -66.9 | 178.4 | -170.6 | 175.6 | -167.9 | 0 | 107.5 | | |
| 225 | G | 52.8 | Low | 51.5 | Low | 71 Ų | 71 | 142.8 Ų | 142.8 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | 100.9 | 156.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 226 | E | 52.4 | Low | 51.5 | Low | 182 Ų | 182 | 146.2 Ų | 146.2 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | cis | -157.6 | 151.2 | 0.8 | -161.1 | 165.3 | 127.7 | 0 | 0 | 110.7 | | |
| 227 | P | 54.2 | Low | 51.8 | Low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -110.4 | 140.5 | 177.8 | 37.5 | -28.2 | 0 | 0 | 0 | 114.1 | | |
| 228 | V | 60.6 | Low | 52.3 | Low | 128 Ų | 128 | 137.6 Ų | 137.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -142.9 | 146.9 | 169.1 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 229 | C | 51.6 | Low | 52.9 | Low | 205 Ų | 205 | 133.5 Ų | 133.5 | 100% | 1.385 | 76% | 0.764 | S | S | * | * | | | trans | 82.3 | 0 | -170.9 | -64.4 | 0 | 0 | 0 | 0 | 115.4 | | |