| 1 | M | 49.2 | Very low | 69.3 | Low | 223 Ų | 223 | 114.2 Ų | 114.2 | 100% | 1.099 | 61% | 0.612 | S | S | * | * | | | | 0 | 123.8 | 0 | -71.4 | 176 | 175.2 | 0 | 0 | 104 | | |
| 2 | N | 56 | Low | 69.5 | Low | 100 Ų | 100 | 110.5 Ų | 110.5 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | | | trans | -104.5 | 95.4 | -152.5 | -55.8 | -5.1 | 0 | 0 | 0 | 109.7 | D4 D5 | N2-D4 PolarHBondContact O-N 3.19Å; N2-D4 VanDerWaalsContact O-N 3.13Å; N2-D5 HydrophobicContact CB-CB 4.24Å; N2-D5 WeakPolarHBondContact CB-OD2 3.49Å; N2-D5 PolarHBondContact ND2-OD2 2.88Å; N2-D5 PolarHBondContact O-N 2.71Å |
| 3 | D | 67 | Low | 69.5 | Low | 128 Ų | 128 | 106.8 Ų | 106.8 | 68% | 0.684 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -56.9 | -27.5 | 175.5 | -53.7 | -95.7 | 0 | 0 | 0 | 111.9 | D5 D6 V7 | D3-D5 PolarHBondContact O-N 3.16Å; D3-D6 PolarHBondContact O-N 3.04Å; D3-V7 WeakPolarHBondContact O-CG2 3.19Å; D3-V7 PolarHBondContact O-N 3.41Å; D3-V7 VanDerWaalsContact O-N 3.07Å |
| 4 | D | 70.6 | Confident | 69.3 | Low | 123 Ų | 123 | 102.6 Ų | 102.6 | 66% | 0.658 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.9 | -40.4 | 173.5 | -62.1 | -70.4 | 0 | 0 | 0 | 113.7 | N2 V7 I8 | N2-D4 PolarHBondContact O-N 3.19Å; N2-D4 VanDerWaalsContact O-N 3.13Å; D4-V7 PolarHBondContact O-N 2.97Å; D4-I8 WeakPolarHBondContact O-CB 3.34Å; D4-I8 WeakPolarHBondContact O-CD1 3.4Å; D4-I8 VanDerWaalsContact O-CG1 3.24Å; D4-I8 WeakPolarHBondContact O-CG1 3.32Å; D4-I8 PolarHBondContact O-N 3.25Å |
| 5 | D | 70.1 | Confident | 69 | Low | 93 Ų | 93 | 101.4 Ų | 101.4 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.7 | -39.4 | -177.6 | -77.6 | -54.7 | 0 | 0 | 0 | 110.9 | N2 D3 I8 S9 | N2-D5 HydrophobicContact CB-CB 4.24Å; N2-D5 WeakPolarHBondContact CB-OD2 3.49Å; N2-D5 PolarHBondContact ND2-OD2 2.88Å; N2-D5 PolarHBondContact O-N 2.71Å; D3-D5 PolarHBondContact O-N 3.16Å; D5-I8 PolarHBondContact O-N 3.31Å; D5-S9 WeakPolarHBondContact O-CB 3.47Å; D5-S9 PolarHBondContact O-N 3.08Å |
| 6 | D | 74.3 | Confident | 68.3 | Low | 121 Ų | 121 | 101.8 Ų | 101.8 | 65% | 0.647 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.8 | -39.2 | 174.7 | -79.5 | -44.3 | 0 | 0 | 0 | 112 | D3 S9 L10 | D3-D6 PolarHBondContact O-N 3.04Å; D6-S9 WeakPolarHBondContact O-CB 3.44Å; D6-S9 PolarHBondContact O-N 2.83Å; D6-L10 WeakPolarHBondContact O-CB 3.5Å; D6-L10 PolarHBondContact O-N 3.37Å |
| 7 | V | 74 | Confident | 67.6 | Low | 82 Ų | 82 | 100.5 Ų | 100.5 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.4 | -43.5 | 174.6 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | D3 D4 L10 I11 | D3-V7 WeakPolarHBondContact O-CG2 3.19Å; D3-V7 PolarHBondContact O-N 3.41Å; D3-V7 VanDerWaalsContact O-N 3.07Å; D4-V7 PolarHBondContact O-N 2.97Å; V7-L10 PolarHBondContact O-N 3.29Å; V7-I11 HydrophobicContact CG1-CD1 3.83Å; V7-I11 VanDerWaalsContact O-CG1 3.28Å; V7-I11 WeakPolarHBondContact O-CG1 3.44Å; V7-I11 PolarHBondContact O-N 2.87Å |
| 8 | I | 74.8 | Confident | 66.8 | Low | 99 Ų | 99 | 101.2 Ų | 101.2 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.3 | -45.8 | 175.3 | -69.6 | 164 | 0 | 0 | 0 | 110.5 | D4 D5 L10 I11 V12 | D4-I8 WeakPolarHBondContact O-CB 3.34Å; D4-I8 WeakPolarHBondContact O-CD1 3.4Å; D4-I8 VanDerWaalsContact O-CG1 3.24Å; D4-I8 WeakPolarHBondContact O-CG1 3.32Å; D4-I8 PolarHBondContact O-N 3.25Å; D5-I8 PolarHBondContact O-N 3.31Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.05Å; I8-I11 PolarHBondContact O-N 3.33Å; I8-V12 HydrophobicContact CG2-CG2 4.48Å; I8-V12 WeakPolarHBondContact O-CG2 3.34Å; I8-V12 PolarHBondContact O-N 3.15Å |
| 9 | S | 75.3 | Confident | 66 | Low | 67 Ų | 67 | 99.4 Ų | 99.4 | 47% | 0.469 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | D5 D6 S13 | D5-S9 WeakPolarHBondContact O-CB 3.47Å; D5-S9 PolarHBondContact O-N 3.08Å; D6-S9 WeakPolarHBondContact O-CB 3.44Å; D6-S9 PolarHBondContact O-N 2.83Å; S9-S13 WeakPolarHBondContact O-CB 3.48Å; S9-S13 PolarHBondContact O-N 3.22Å; S9-S13 PolarHBondContact O-OG 3.43Å |
| 10 | L | 76.4 | Confident | 65.1 | Low | 127 Ų | 127 | 104.4 Ų | 104.4 | 67% | 0.665 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.5 | -42.8 | 177 | -176.7 | 62.2 | 0 | 0 | 0 | 112.1 | D6 V7 I8 S13 A14 | D6-L10 WeakPolarHBondContact O-CB 3.5Å; D6-L10 PolarHBondContact O-N 3.37Å; V7-L10 PolarHBondContact O-N 3.29Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.05Å; L10-S13 PolarHBondContact O-N 3.07Å; L10-A14 WeakPolarHBondContact O-CB 3.33Å; L10-A14 PolarHBondContact O-N 2.74Å |
| 11 | I | 74.1 | Confident | 64.1 | Low | 93 Ų | 93 | 106.2 Ų | 106.2 | 48% | 0.477 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -46.9 | 177.6 | -70.5 | 165.9 | 0 | 0 | 0 | 111 | V7 I8 S13 A14 I15 | V7-I11 HydrophobicContact CG1-CD1 3.83Å; V7-I11 VanDerWaalsContact O-CG1 3.28Å; V7-I11 WeakPolarHBondContact O-CG1 3.44Å; V7-I11 PolarHBondContact O-N 2.87Å; I8-I11 PolarHBondContact O-N 3.33Å; I11-S13 VanDerWaalsContact C-N 3.32Å; I11-S13 PolarHBondContact O-N 3.21Å; I11-A14 PolarHBondContact O-N 3.47Å; I11-I15 HydrophobicContact CG2-CD1 3.83Å; I11-I15 WeakPolarHBondContact O-CG1 3.39Å; I11-I15 PolarHBondContact O-N 3.04Å |
| 12 | V | 72.4 | Confident | 63.7 | Low | 70 Ų | 70 | 101.2 Ų | 101.2 | 42% | 0.424 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 177 | 171.5 | 0 | 0 | 0 | 0 | 111 | I8 A14 I15 H16 | I8-V12 HydrophobicContact CG2-CG2 4.48Å; I8-V12 WeakPolarHBondContact O-CG2 3.34Å; I8-V12 PolarHBondContact O-N 3.15Å; V12-A14 PolarHBondContact O-N 2.78Å; V12-I15 PolarHBondContact O-N 3.18Å; V12-H16 PolarHBondContact O-N 2.77Å |
| 13 | S | 69.3 | Low | 63 | Low | 62 Ų | 62 | 98.6 Ų | 98.6 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 177.4 | -62 | 0 | 0 | 0 | 0 | 112.8 | S9 L10 I11 S17 | S9-S13 WeakPolarHBondContact O-CB 3.48Å; S9-S13 PolarHBondContact O-N 3.22Å; S9-S13 PolarHBondContact O-OG 3.43Å; L10-S13 PolarHBondContact O-N 3.07Å; I11-S13 VanDerWaalsContact C-N 3.32Å; I11-S13 PolarHBondContact O-N 3.21Å; S13-S17 WeakPolarHBondContact O-CB 3.28Å; S13-S17 PolarHBondContact O-N 3.43Å; S13-S17 VanDerWaalsContact O-N 3.13Å; S13-S17 PolarHBondContact O-OG 3.13Å |
| 14 | A | 66.6 | Low | 61.9 | Low | 48 Ų | 48 | 97.5 Ų | 97.5 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L10 I11 V12 S17 L18 | L10-A14 WeakPolarHBondContact O-CB 3.33Å; L10-A14 PolarHBondContact O-N 2.74Å; I11-A14 PolarHBondContact O-N 3.47Å; V12-A14 PolarHBondContact O-N 2.78Å; A14-S17 WeakPolarHBondContact O-CB 3.34Å; A14-S17 PolarHBondContact O-N 2.81Å; A14-L18 WeakPolarHBondContact O-CG 3.49Å; A14-L18 PolarHBondContact O-N 2.95Å |
| 15 | I | 64.7 | Low | 60.3 | Low | 85 Ų | 85 | 96.3 Ų | 96.3 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 177.7 | -68 | 165.5 | 0 | 0 | 0 | 110.8 | I11 V12 S17 L18 Q19 | I11-I15 HydrophobicContact CG2-CD1 3.83Å; I11-I15 WeakPolarHBondContact O-CG1 3.39Å; I11-I15 PolarHBondContact O-N 3.04Å; V12-I15 PolarHBondContact O-N 3.18Å; I15-S17 PolarHBondContact O-N 3.05Å; I15-L18 PolarHBondContact O-N 2.96Å; I15-L18 VanDerWaalsContact O-N 3.14Å; I15-Q19 PolarHBondContact O-N 3.08Å |
| 16 | H | 57.5 | Low | 58.8 | Low | 108 Ų | 108 | 97.5 Ų | 97.5 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.3 | -34.7 | 175.8 | -88.4 | -152.9 | 0 | 0 | 0 | 112.9 | V12 R20 | V12-H16 PolarHBondContact O-N 2.77Å; H16-R20 VanDerWaalsContact O-CG 3.32Å; H16-R20 WeakPolarHBondContact O-CG 3.41Å; H16-R20 PolarHBondContact O-N 3.45Å |
| 17 | S | 56.9 | Low | 57.2 | Low | 79 Ų | 79 | 103.3 Ų | 103.3 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.5 | -41.3 | 176.7 | -60 | 0 | 0 | 0 | 0 | 111.9 | S13 A14 I15 F21 | S13-S17 WeakPolarHBondContact O-CB 3.28Å; S13-S17 PolarHBondContact O-N 3.43Å; S13-S17 VanDerWaalsContact O-N 3.13Å; S13-S17 PolarHBondContact O-OG 3.13Å; A14-S17 WeakPolarHBondContact O-CB 3.34Å; A14-S17 PolarHBondContact O-N 2.81Å; I15-S17 PolarHBondContact O-N 3.05Å; S17-F21 PolarHBondContact O-N 3.33Å |
| 18 | L | 53 | Low | 55.5 | Low | 113 Ų | 113 | 104.2 Ų | 104.2 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.4 | -44.3 | 178.1 | -72.8 | 167.7 | 0 | 0 | 0 | 112.7 | A14 I15 R20 F21 Q22 | A14-L18 WeakPolarHBondContact O-CG 3.49Å; A14-L18 PolarHBondContact O-N 2.95Å; I15-L18 PolarHBondContact O-N 2.96Å; I15-L18 VanDerWaalsContact O-N 3.14Å; L18-R20 PolarHBondContact O-N 3.27Å; L18-F21 PolarHBondContact O-N 3.19Å; L18-Q22 PolarHBondContact O-N 3.04Å; L18-Q22 VanDerWaalsContact O-N 3.12Å |
| 19 | Q | 51.2 | Low | 54.1 | Low | 68 Ų | 68 | 106.8 Ų | 106.8 | 32% | 0.318 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.2 | -46.2 | 177.2 | -71.4 | -178.4 | -79.5 | 0 | 0 | 111.5 | I15 F21 Q22 C23 D35 | I15-Q19 PolarHBondContact O-N 3.08Å; Q19-F21 VanDerWaalsContact C-N 3.26Å; Q19-F21 PolarHBondContact O-N 3.35Å; Q19-Q22 PolarHBondContact O-N 2.74Å; Q19-C23 PolarHBondContact O-N 3.48Å; Q19-C23 VanDerWaalsContact O-N 3.08Å; Q19-C23 PolarHBondContact O-SG 3.18Å; Q19-C23 VanDerWaalsContact O-SG 3.33Å; Q19-D35 PolarHBondContact NE2-OD1 3.34Å; Q19-D35 VanDerWaalsContact NE2-OD1 3.1Å; Q19-D35 PolarHBondContact NE2-OD2 3.45Å |
| 20 | R | 48.4 | Very low | 52.2 | Low | 198 Ų | 198 | 109.2 Ų | 109.2 | 75% | 0.747 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.3 | -38.5 | 175.2 | -74.4 | 176.3 | 178.4 | -132.3 | 0.8 | 112.6 | H16 L18 C23 S24 | H16-R20 VanDerWaalsContact O-CG 3.32Å; H16-R20 WeakPolarHBondContact O-CG 3.41Å; H16-R20 PolarHBondContact O-N 3.45Å; L18-R20 PolarHBondContact O-N 3.27Å; R20-C23 PolarHBondContact O-N 3.27Å; R20-S24 PolarHBondContact O-N 3.01Å |
| 21 | F | 44.4 | Very low | 50.4 | Low | 143 Ų | 143 | 106.3 Ų | 106.3 | 63% | 0.627 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.5 | -40.9 | 179.9 | -156.1 | -97.6 | 0 | 0 | 0 | 112.4 | S17 L18 Q19 S24 N25 | S17-F21 PolarHBondContact O-N 3.33Å; L18-F21 PolarHBondContact O-N 3.19Å; Q19-F21 VanDerWaalsContact C-N 3.26Å; Q19-F21 PolarHBondContact O-N 3.35Å; F21-S24 PolarHBondContact O-N 3.29Å; F21-N25 PolarHBondContact O-N 3.47Å |
| 22 | Q | 41.5 | Very low | 48.6 | Very low | 118 Ų | 118 | 105.9 Ų | 105.9 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.5 | -38.8 | 175.1 | -65.1 | -170.8 | 26.2 | 0 | 0 | 112.1 | L18 Q19 S24 N25 | L18-Q22 PolarHBondContact O-N 3.04Å; L18-Q22 VanDerWaalsContact O-N 3.12Å; Q19-Q22 PolarHBondContact O-N 2.74Å; Q22-S24 VanDerWaalsContact C-N 3.28Å; Q22-S24 PolarHBondContact O-N 2.84Å; Q22-N25 PolarHBondContact O-N 3.1Å |
| 23 | C | 40.8 | Very low | 47.3 | Very low | 46 Ų | 46 | 109.1 Ų | 109.1 | 31% | 0.311 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65 | -28.1 | 177.9 | -68.9 | 0 | 0 | 0 | 0 | 114.2 | Q19 R20 K26 D35 | Q19-C23 PolarHBondContact O-N 3.48Å; Q19-C23 VanDerWaalsContact O-N 3.08Å; Q19-C23 PolarHBondContact O-SG 3.18Å; Q19-C23 VanDerWaalsContact O-SG 3.33Å; R20-C23 PolarHBondContact O-N 3.27Å; C23-K26 WeakPolarHBondContact O-CE 3.47Å; C23-D35 PolarHBondContact SG-O 3.18Å |
| 24 | S | 43.1 | Very low | 46 | Very low | 104 Ų | 104 | 111.9 Ų | 111.9 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77.7 | -40.7 | 174.2 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | R20 F21 Q22 K26 | R20-S24 PolarHBondContact O-N 3.01Å; F21-S24 PolarHBondContact O-N 3.29Å; Q22-S24 VanDerWaalsContact C-N 3.28Å; Q22-S24 PolarHBondContact O-N 2.84Å; S24-K26 VanDerWaalsContact C-N 3.28Å; S24-K26 PolarHBondContact O-N 3.19Å |
| 25 | N | 37.6 | Very low | 44.7 | Very low | 99 Ų | 99 | 112.1 Ų | 112.1 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | | | trans | -89.9 | 45.7 | -168.2 | -138.6 | -26.4 | 0 | 0 | 0 | 113.9 | F21 Q22 R27 S28 | F21-N25 PolarHBondContact O-N 3.47Å; Q22-N25 PolarHBondContact O-N 3.1Å; N25-R27 PolarHBondContact O-N 3.33Å; N25-S28 PolarHBondContact O-N 3.12Å |
| 26 | K | 38 | Very low | 43.3 | Very low | 118 Ų | 118 | 109 Ų | 109 | 51% | 0.513 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.1 | 55.1 | -176.9 | -71.9 | -175 | 177.2 | -173.3 | 0 | 114.5 | C23 S24 C36 | C23-K26 WeakPolarHBondContact O-CE 3.47Å; S24-K26 VanDerWaalsContact C-N 3.28Å; S24-K26 PolarHBondContact O-N 3.19Å; K26-C36 PolarHBondContact NZ-SG 3.31Å |
| 27 | R | 41.2 | Very low | 42.8 | Very low | 243 Ų | 243 | 109.7 Ų | 109.7 | 92% | 0.917 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | -7.2 | 161 | -80.5 | -170.3 | 170.1 | -168.5 | -3.5 | 113.7 | N25 | N25-R27 PolarHBondContact O-N 3.33Š|
| 28 | S | 38.9 | Very low | 42.2 | Very low | 100 Ų | 100 | 114.8 Ų | 114.8 | 70% | 0.699 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -95.6 | 144.7 | 167.2 | -171 | 0 | 0 | 0 | 0 | 110.4 | N25 | N25-S28 PolarHBondContact O-N 3.12Š|
| 29 | L | 44.5 | Very low | 41.5 | Very low | 153 Ų | 153 | 114.6 Ų | 114.6 | 80% | 0.801 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -69.1 | 165.4 | 179.1 | -74.8 | 75.8 | 0 | 0 | 0 | 111.7 | | |
| 30 | V | 35.1 | Very low | 40.8 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 72% | 0.721 | 61% | 0.612 | S | S | * | * | | | trans | 71.8 | 54.2 | -178.8 | -158.3 | 0 | 0 | 0 | 0 | 113.9 | T32 | V30-T32 PolarHBondContact O-N 3.24Š|
| 31 | A | 40 | Very low | 40.5 | Very low | 65 Ų | 65 | 115.8 Ų | 115.8 | 54% | 0.537 | 61% | 0.613 | S | S | . | * | | | trans | -77.7 | 108 | 150.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 32 | T | 36 | Very low | 40.4 | Very low | 85 Ų | 85 | 114.3 Ų | 114.3 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | | | trans | -65.2 | 141.9 | 172 | 34.1 | 0 | 0 | 0 | 0 | 110.9 | V30 D34 D35 | V30-T32 PolarHBondContact O-N 3.24Å; T32-D34 VanDerWaalsContact C-N 3.32Å; T32-D34 PolarHBondContact O-N 3.17Å; T32-D35 PolarHBondContact O-N 3.48Å |
| 33 | I | 43.8 | Very low | 40.3 | Very low | 138 Ų | 138 | 116.8 Ų | 116.8 | 71% | 0.708 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -63.3 | -32.6 | -156.5 | -64.4 | 172.5 | 0 | 0 | 0 | 113.7 | D35 L39 | I33-D35 PolarHBondContact O-N 3.28Å; I33-L39 HydrophobicContact CG2-CD1 4.47Å |
| 34 | D | 42.3 | Very low | 40.2 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -68.5 | -29.1 | -178.5 | -96.8 | -86.9 | 0 | 0 | 0 | 115.3 | T32 C36 | T32-D34 VanDerWaalsContact C-N 3.32Å; T32-D34 PolarHBondContact O-N 3.17Å; D34-C36 PolarHBondContact O-N 2.91Å |
| 35 | D | 40.1 | Very low | 39.8 | Very low | 53 Ų | 53 | 125.1 Ų | 125.1 | 28% | 0.283 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -77.3 | 13 | -176.3 | -95.4 | -50 | 0 | 0 | 0 | 113.4 | Q19 C23 T32 I33 P37 | Q19-D35 PolarHBondContact NE2-OD1 3.34Å; Q19-D35 VanDerWaalsContact NE2-OD1 3.1Å; Q19-D35 PolarHBondContact NE2-OD2 3.45Å; C23-D35 PolarHBondContact SG-O 3.18Å; T32-D35 PolarHBondContact O-N 3.48Å; I33-D35 PolarHBondContact O-N 3.28Å; D35-P37 WeakPolarHBondContact O-CD 3.24Å |
| 36 | C | 36 | Very low | 40.2 | Very low | 21 Ų | 21 | 125.4 Ų | 125.4 | 14% | 0.142 | 67% | 0.672 | C | S | . | * | | | trans | -102.4 | 99.9 | 164.1 | -70.2 | 0 | 0 | 0 | 0 | 110.2 | K26 D34 Q38 L39 | K26-C36 PolarHBondContact NZ-SG 3.31Å; D34-C36 PolarHBondContact O-N 2.91Å; C36-Q38 PolarHBondContact O-N 3.01Å; C36-L39 HydrophobicContact CB-CB 4.03Å; C36-L39 HydrophobicContact CB-CD1 3.87Å; C36-L39 HydrophobicContact CB-CG 3.91Å; C36-L39 PolarHBondContact O-N 2.98Å |
| 37 | P | 46.8 | Very low | 40.2 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -1.7 | 174.3 | 25.4 | -34.1 | 0 | 0 | 0 | 114.4 | D35 | D35-P37 WeakPolarHBondContact O-CD 3.24Š|
| 38 | Q | 43.2 | Very low | 40 | Very low | 186 Ų | 186 | 123.9 Ų | 123.9 | 87% | 0.869 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -13.4 | 166 | -68.1 | -178.6 | -13.5 | 0 | 0 | 113.8 | C36 | C36-Q38 PolarHBondContact O-N 3.01Š|
| 39 | L | 38.6 | Very low | 40.3 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 57% | 0.571 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -6.6 | -176 | -70.6 | -178.7 | 0 | 0 | 0 | 114.5 | I33 C36 P41 | I33-L39 HydrophobicContact CG2-CD1 4.47Å; C36-L39 HydrophobicContact CB-CB 4.03Å; C36-L39 HydrophobicContact CB-CD1 3.87Å; C36-L39 HydrophobicContact CB-CG 3.91Å; C36-L39 PolarHBondContact O-N 2.98Å; L39-P41 WeakPolarHBondContact O-CD 3.49Å |
| 40 | R | 37 | Very low | 39.8 | Very low | 172 Ų | 172 | 125.1 Ų | 125.1 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -62.8 | 119.2 | 163.1 | -82.3 | -167.5 | 169.6 | -170.3 | -3.3 | 108.5 | T42 | R40-T42 VanDerWaalsContact C-N 3.34Å; R40-T42 PolarHBondContact O-N 3.14Å |
| 41 | P | 41.4 | Very low | 39.8 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | | | trans | -69.8 | 93.8 | 178.1 | -15.9 | 31.6 | 0 | 0 | 0 | 108.9 | L39 N43 | L39-P41 WeakPolarHBondContact O-CD 3.49Å; P41-N43 PolarHBondContact O-N 3.02Å |
| 42 | T | 41.7 | Very low | 39.8 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | | | trans | -68.4 | 108.2 | 174.8 | 56.3 | 0 | 0 | 0 | 0 | 107.9 | R40 R44 | R40-T42 VanDerWaalsContact C-N 3.34Å; R40-T42 PolarHBondContact O-N 3.14Å; T42-R44 PolarHBondContact O-N 3.26Å |
| 43 | N | 40.2 | Very low | 39.8 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | | | trans | -67.8 | 40.9 | 168.4 | -83.1 | -25 | 0 | 0 | 0 | 112.1 | P41 | P41-N43 PolarHBondContact O-N 3.02Š|
| 44 | R | 39.2 | Very low | 39.8 | Very low | 215 Ų | 215 | 136.3 Ų | 136.3 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | | | trans | -96.2 | 115.6 | 174.1 | -153.4 | 174.7 | -159.9 | -178 | 5.6 | 105.8 | T42 A46 | T42-R44 PolarHBondContact O-N 3.26Å; R44-A46 PolarHBondContact O-N 2.99Å |
| 45 | P | 34.8 | Very low | 39.4 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | | | trans | -57.6 | 139.1 | -174.2 | 22.6 | -33.4 | 0 | 0 | 0 | 110.4 | R47 | P45-R47 VanDerWaalsContact C-N 3.26Å; P45-R47 PolarHBondContact O-N 2.78Å |
| 46 | A | 44.8 | Very low | 39.4 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | | | trans | -68.9 | 77.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R44 | R44-A46 PolarHBondContact O-N 2.99Š|
| 47 | R | 38.7 | Very low | 39.7 | Very low | 219 Ų | 219 | 154.3 Ų | 154.3 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | trans | -62.3 | 127.9 | 165.8 | -76.5 | -168.9 | 168.3 | -149 | -3.7 | 108.2 | P45 V49 | P45-R47 VanDerWaalsContact C-N 3.26Å; P45-R47 PolarHBondContact O-N 2.78Å; R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 PolarHBondContact O-N 3.22Å |
| 48 | P | 37.6 | Very low | 38.9 | Very low | 110 Ų | 110 | 159.7 Ų | 159.7 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | | | trans | -70.9 | 89 | -178.7 | 28.2 | -34.5 | 0 | 0 | 0 | 110.4 | H50 | P48-H50 PolarHBondContact O-N 3.13Å; P48-H50 VanDerWaalsContact O-N 3.08Å; P48-H50 PolarHBondContact O-ND1 3.44Å |
| 49 | V | 43.6 | Very low | 38.5 | Very low | 128 Ų | 128 | 161.5 Ų | 161.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -61.1 | 114.3 | 173.9 | -171.1 | 0 | 0 | 0 | 0 | 107.4 | R47 | R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 PolarHBondContact O-N 3.22Å |
| 50 | H | 35.1 | Very low | 38.2 | Very low | 152 Ų | 152 | 161.2 Ų | 161.2 | 70% | 0.704 | 80% | 0.797 | S | S | * | * | | | trans | -60 | 157.3 | -176.7 | -76.2 | 29.6 | 0 | 0 | 0 | 111.4 | P48 H52 | P48-H50 PolarHBondContact O-N 3.13Å; P48-H50 VanDerWaalsContact O-N 3.08Å; P48-H50 PolarHBondContact O-ND1 3.44Å; H50-H52 VanDerWaalsContact C-N 3.27Å; H50-H52 PolarHBondContact O-CD2 3.33Å; H50-H52 PolarHBondContact O-N 3.35Å |
| 51 | S | 35.8 | Very low | 38.1 | Very low | 121 Ų | 121 | 160 Ų | 160 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | trans | -65.6 | 71.7 | -166.5 | 46.2 | 0 | 0 | 0 | 0 | 114.6 | K53 | S51-K53 PolarHBondContact O-N 3.47Š|
| 52 | H | 38.2 | Very low | 37.8 | Very low | 162 Ų | 162 | 162.6 Ų | 162.6 | 75% | 0.75 | 80% | 0.804 | S | S | * | * | | | trans | -65.3 | 103.8 | 172.2 | -82.1 | -74.9 | 0 | 0 | 0 | 110.4 | H50 I54 | H50-H52 VanDerWaalsContact C-N 3.27Å; H50-H52 PolarHBondContact O-CD2 3.33Å; H50-H52 PolarHBondContact O-N 3.35Å; H52-I54 PolarHBondContact O-N 3.43Å |
| 53 | K | 37.8 | Very low | 37.3 | Very low | 197 Ų | 197 | 166.2 Ų | 166.2 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | | | trans | -43.7 | 118.7 | 179.8 | -61.5 | 176.7 | -178.6 | 178.3 | 0 | 110.9 | S51 K55 | S51-K53 PolarHBondContact O-N 3.47Å; K53-K55 PolarHBondContact O-N 3.26Å |
| 54 | I | 42.2 | Very low | 37 | Very low | 162 Ų | 162 | 161.1 Ų | 161.1 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | | | trans | -62.2 | 98.9 | -179.2 | -57.1 | 173.1 | 0 | 0 | 0 | 109 | H52 R56 | H52-I54 PolarHBondContact O-N 3.43Å; I54-R56 PolarHBondContact O-N 3.38Å; I54-R56 VanDerWaalsContact O-N 3.16Å |
| 55 | K | 35 | Very low | 37 | Very low | 196 Ų | 196 | 158.9 Ų | 158.9 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | | | trans | -65.4 | 114.2 | 168.5 | -72.5 | -174.3 | 177.4 | -179.3 | 0 | 107.3 | K53 V57 | K53-K55 PolarHBondContact O-N 3.26Å; K55-V57 PolarHBondContact O-N 3.13Å |
| 56 | R | 40.5 | Very low | 36.8 | Very low | 236 Ų | 236 | 162.3 Ų | 162.3 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | | | trans | -55.7 | 113.8 | 177.4 | -67.9 | -179.5 | 178.8 | 177.4 | -0.7 | 108.9 | I54 R58 | I54-R56 PolarHBondContact O-N 3.38Å; I54-R56 VanDerWaalsContact O-N 3.16Å; R56-R58 PolarHBondContact O-N 3.16Å |
| 57 | V | 42.1 | Very low | 36.4 | Very low | 139 Ų | 139 | 166.6 Ų | 166.6 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 126.5 | 170.4 | -177.1 | 0 | 0 | 0 | 0 | 107 | K55 | K55-V57 PolarHBondContact O-N 3.13Š|
| 58 | R | 30 | Very low | 36.2 | Very low | 233 Ų | 233 | 163.8 Ų | 163.8 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 143 | 175.6 | -72.8 | -175.4 | 174 | -176.7 | -2.6 | 108.4 | R56 C60 | R56-R58 PolarHBondContact O-N 3.16Å; R58-C60 PolarHBondContact O-N 2.94Å |
| 59 | R | 34.7 | Very low | 35.9 | Very low | 224 Ų | 224 | 161.2 Ų | 161.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 136.8 | 168.4 | -68 | 179.6 | 178.9 | 170.8 | -0.5 | 107.5 | D61 | R59-D61 PolarHBondContact O-N 3.4Š|
| 60 | C | 32.7 | Very low | 35.5 | Very low | 104 Ų | 104 | 160.6 Ų | 160.6 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | | | trans | -70 | 113.7 | 164.4 | -60.8 | 0 | 0 | 0 | 0 | 107 | R58 H62 | R58-C60 PolarHBondContact O-N 2.94Å; C60-H62 PolarHBondContact O-N 3.38Å; C60-H62 VanDerWaalsContact O-N 3.07Å |
| 61 | D | 33.6 | Very low | 35.5 | Very low | 145 Ų | 145 | 160.3 Ų | 160.3 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | trans | -67.7 | 106.1 | 171.3 | -63.5 | -58.1 | 0 | 0 | 0 | 107.8 | R59 E63 | R59-D61 PolarHBondContact O-N 3.4Å; D61-E63 PolarHBondContact O-N 3.33Å |
| 62 | H | 36.4 | Very low | 35.4 | Very low | 176 Ų | 176 | 158.2 Ų | 158.2 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | | | trans | -76.3 | 65.5 | -178.6 | -88.9 | -83 | 0 | 0 | 0 | 110.7 | C60 G64 | C60-H62 PolarHBondContact O-N 3.38Å; C60-H62 VanDerWaalsContact O-N 3.07Å; H62-G64 PolarHBondContact O-N 3.11Å |
| 63 | E | 31 | Very low | 34.9 | Very low | 186 Ų | 186 | 161.9 Ų | 161.9 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | -68.3 | 113.3 | 168.2 | -72.4 | -147.1 | 120.2 | 0 | 0 | 110.7 | D61 L65 | D61-E63 PolarHBondContact O-N 3.33Å; E63-L65 PolarHBondContact O-N 3.42Å |
| 64 | G | 34.1 | Very low | 35 | Very low | 63 Ų | 63 | 164.7 Ų | 164.7 | 65% | 0.649 | 82% | 0.821 | S | S | * | * | | | trans | 70.2 | 36.3 | 137.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | H62 K66 | H62-G64 PolarHBondContact O-N 3.11Å; G64-K66 PolarHBondContact O-N 3Å |
| 65 | L | 37.9 | Very low | 34.7 | Very low | 169 Ų | 169 | 160.8 Ų | 160.8 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | | | trans | -65.3 | 80.9 | 155.4 | -93.7 | 170.5 | 0 | 0 | 0 | 109.4 | E63 E67 | E63-L65 PolarHBondContact O-N 3.42Å; L65-E67 PolarHBondContact O-N 3.32Å |
| 66 | K | 31.7 | Very low | 34.5 | Very low | 182 Ų | 182 | 154.2 Ų | 154.2 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | -62.1 | 111.1 | 172.6 | -83.6 | 176.4 | 173.5 | 169.4 | 0 | 109 | G64 I68 | G64-K66 PolarHBondContact O-N 3Å; K66-I68 PolarHBondContact O-N 3.26Å |
| 67 | E | 35.5 | Very low | 34.6 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | | | trans | -64.9 | 105.3 | 163.4 | -69.5 | -170.5 | 135.5 | 0 | 0 | 108.8 | L65 G69 | L65-E67 PolarHBondContact O-N 3.32Å; E67-G69 PolarHBondContact O-N 3.47Å |
| 68 | I | 34.2 | Very low | 34.4 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | | | trans | -80.2 | 74.2 | 173.9 | -53.9 | -179.6 | 0 | 0 | 0 | 108.1 | K66 | K66-I68 PolarHBondContact O-N 3.26Š|
| 69 | G | 30.9 | Very low | 34.7 | Very low | 56 Ų | 56 | 145.7 Ų | 145.7 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | | | trans | -65.1 | 132.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | E67 | E67-G69 PolarHBondContact O-N 3.47Š|
| 70 | P | 35.2 | Very low | 35 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -69.8 | 160 | -178.9 | 28.9 | -34.9 | 0 | 0 | 0 | 112.3 | | |
| 71 | T | 35.9 | Very low | 35.5 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 62.5 | 73.6 | 174 | 54.6 | 0 | 0 | 0 | 0 | 116 | | |
| 72 | G | 32.9 | Very low | 35.7 | Very low | 78 Ų | 78 | 146.6 Ų | 146.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -54.8 | 143.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 73 | R | 28.7 | Very low | 35.8 | Very low | 238 Ų | 238 | 140.6 Ų | 140.6 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | | | trans | -133.1 | 133.5 | 143.1 | -104.4 | -178.3 | 173.6 | -173.9 | -1.9 | 108.5 | G75 | R73-G75 PolarHBondContact O-N 2.95Š|
| 74 | R | 40.7 | Very low | 36.4 | Very low | 256 Ų | 256 | 143.3 Ų | 143.3 | 97% | 0.966 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 128.5 | 178.2 | -66.8 | -176.5 | -178.3 | -175.7 | 1.3 | 109.9 | G76 | R74-G76 VanDerWaalsContact C-N 3.32Å; R74-G76 PolarHBondContact O-N 2.96Å |
| 75 | G | 36.1 | Very low | 36.7 | Very low | 81 Ų | 81 | 145.3 Ų | 145.3 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.5 | 5.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | R73 V77 | R73-G75 PolarHBondContact O-N 2.95Å; G75-V77 PolarHBondContact O-N 3.43Å |
| 76 | G | 28.9 | Very low | 37 | Very low | 57 Ų | 57 | 141 Ų | 141 | 59% | 0.588 | 79% | 0.79 | S | S | * | * | | | trans | -80.1 | 104.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R74 V78 | R74-G76 VanDerWaalsContact C-N 3.32Å; R74-G76 PolarHBondContact O-N 2.96Å; G76-V78 PolarHBondContact O-N 3.37Å; G76-V78 VanDerWaalsContact O-N 3.15Å |
| 77 | V | 43.1 | Very low | 37.4 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | | | trans | -77.8 | 92.9 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 110 | G75 | G75-V77 PolarHBondContact O-N 3.43Š|
| 78 | V | 38.5 | Very low | 37.6 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | trans | -139.2 | 116.3 | 175.6 | -166.8 | 0 | 0 | 0 | 0 | 111.5 | G76 | G76-V78 PolarHBondContact O-N 3.37Å; G76-V78 VanDerWaalsContact O-N 3.15Å |
| 79 | Q | 36.7 | Very low | 37.9 | Very low | 168 Ų | 168 | 131 Ų | 131 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | 21.5 | 115.6 | 150.2 | -53.7 | 165.8 | 17.3 | 0 | 0 | 116.7 | | |
| 80 | R | 40.7 | Very low | 38.5 | Very low | 258 Ų | 258 | 132.5 Ų | 132.5 | 97% | 0.974 | 77% | 0.771 | S | S | * | * | | | | 57.3 | 32.7 | 53.4 | -149.1 | -166.1 | -86.4 | -160.1 | -3.7 | 116.2 | | |
| 81 | A | 42 | Very low | 38.9 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | trans | -162.3 | 144.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 82 | V | 38.9 | Very low | 39.3 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 90% | 0.903 | 74% | 0.742 | S | S | * | * | S | Bend | cis | -140.2 | 160.3 | 33.3 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 83 | G | 38.7 | Very low | 39.9 | Very low | 51 Ų | 51 | 132 Ų | 132 | 53% | 0.526 | 73% | 0.733 | S | S | . | * | S | Bend | trans | 156.3 | -38.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S85 | G83-S85 PolarHBondContact O-N 2.79Š|
| 84 | R | 43 | Very low | 40.6 | Very low | 242 Ų | 242 | 127.9 Ų | 127.9 | 91% | 0.913 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -14.5 | -169.8 | -120.4 | 178.6 | 177.9 | -170 | -2.6 | 115.9 | | |
| 85 | S | 40.6 | Very low | 40.8 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -19.7 | -174.7 | -47.5 | 0 | 0 | 0 | 0 | 114.8 | G83 | G83-S85 PolarHBondContact O-N 2.79Š|
| 86 | A | 43.3 | Very low | 41.2 | Very low | 79 Ų | 79 | 122.2 Ų | 122.2 | 65% | 0.653 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -74.4 | -39.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 87 | L | 41.9 | Very low | 42.1 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -85.5 | -15.1 | -174.2 | -63.6 | 176.6 | 0 | 0 | 0 | 114.2 | | |
| 88 | G | 39.6 | Very low | 42.2 | Very low | 46 Ų | 46 | 126.1 Ų | 126.1 | 47% | 0.474 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -72.9 | -44.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 89 | N | 40.6 | Very low | 42.1 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -83.4 | -29.7 | -169.5 | -69.4 | 3.1 | 0 | 0 | 0 | 113.4 | N91 L92 | N89-N91 PolarHBondContact O-N 3Å; N89-L92 PolarHBondContact O-N 3.23Å |
| 90 | A | 42.3 | Very low | 42.4 | Very low | 88 Ų | 88 | 121 Ų | 121 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -11.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 91 | N | 43.9 | Very low | 42.8 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 43% | 0.428 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.7 | -11 | -177 | -148.7 | 0.8 | 0 | 0 | 0 | 114 | N89 E93 K94 Y95 | N89-N91 PolarHBondContact O-N 3Å; N91-E93 PolarHBondContact O-N 3.3Å; N91-K94 PolarHBondContact O-N 3.4Å; N91-K94 VanDerWaalsContact O-N 3.11Å; N91-Y95 WeakPolarHBondContact O-CD2 3.33Å; N91-Y95 PolarHBondContact O-N 3.3Å |
| 92 | L | 44.3 | Very low | 43 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 62% | 0.618 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.1 | -38.8 | -176.7 | -81.6 | 166.6 | 0 | 0 | 0 | 112.8 | N89 K94 Y95 A96 | N89-L92 PolarHBondContact O-N 3.23Å; L92-K94 VanDerWaalsContact C-N 3.27Å; L92-K94 PolarHBondContact O-N 3.19Å; L92-Y95 PolarHBondContact O-N 3.42Å; L92-A96 PolarHBondContact O-N 3.02Å; L92-A96 VanDerWaalsContact O-N 3.13Å |
| 93 | E | 44.9 | Very low | 43.3 | Very low | 131 Ų | 131 | 117.8 Ų | 117.8 | 61% | 0.612 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.9 | -36 | 173 | -99 | -155.5 | 85.5 | 0 | 0 | 113.1 | N91 A96 R97 | N91-E93 PolarHBondContact O-N 3.3Å; E93-A96 PolarHBondContact O-N 3.41Å; E93-R97 WeakPolarHBondContact O-CG 3.13Å; E93-R97 PolarHBondContact O-N 2.92Å; E93-R97 IonicContact OE1-CZ 3.82Å; E93-R97 IonicContact OE1-NE 3.84Å; E93-R97 IonicContact OE1-NH2 2.94Å; E93-R97 PolarHBondContact OE1-NH2 3.36Å |
| 94 | K | 44.4 | Very low | 43.5 | Very low | 150 Ų | 150 | 124.1 Ų | 124.1 | 65% | 0.652 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.3 | -38 | -176.2 | -159.5 | 173 | -175.9 | 177.8 | 0 | 111.4 | N91 L92 R97 | N91-K94 PolarHBondContact O-N 3.4Å; N91-K94 VanDerWaalsContact O-N 3.11Å; L92-K94 VanDerWaalsContact C-N 3.27Å; L92-K94 PolarHBondContact O-N 3.19Å; K94-R97 PolarHBondContact O-N 2.96Å |
| 95 | Y | 43.6 | Very low | 43.5 | Very low | 153 Ų | 153 | 120.1 Ų | 120.1 | 60% | 0.6 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.3 | -36.3 | 173 | -77.9 | -77.5 | 0 | 0 | 0 | 112.8 | N91 L92 R97 L98 N99 | N91-Y95 WeakPolarHBondContact O-CD2 3.33Å; N91-Y95 PolarHBondContact O-N 3.3Å; L92-Y95 PolarHBondContact O-N 3.42Å; Y95-R97 VanDerWaalsContact C-N 3.28Å; Y95-R97 PolarHBondContact O-N 3.35Å; Y95-L98 PolarHBondContact O-N 3.25Å; Y95-L98 VanDerWaalsContact O-N 3.16Å; Y95-N99 PolarHBondContact O-N 3.19Å |
| 96 | A | 44.8 | Very low | 43.7 | Very low | 66 Ų | 66 | 119.4 Ų | 119.4 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -58.5 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L92 E93 L98 | L92-A96 PolarHBondContact O-N 3.02Å; L92-A96 VanDerWaalsContact O-N 3.13Å; E93-A96 PolarHBondContact O-N 3.41Å; A96-L98 VanDerWaalsContact C-N 3.33Å; A96-L98 PolarHBondContact O-N 3.39Å |
| 97 | R | 47.8 | Very low | 43.5 | Very low | 170 Ų | 170 | 119.5 Ų | 119.5 | 64% | 0.642 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.2 | -16.3 | 178.3 | -65.7 | -177.1 | -166.7 | -153.6 | 5.8 | 114.8 | E93 K94 Y95 S100 | E93-R97 WeakPolarHBondContact O-CG 3.13Å; E93-R97 PolarHBondContact O-N 2.92Å; E93-R97 IonicContact OE1-CZ 3.82Å; E93-R97 IonicContact OE1-NE 3.84Å; E93-R97 IonicContact OE1-NH2 2.94Å; E93-R97 PolarHBondContact OE1-NH2 3.36Å; K94-R97 PolarHBondContact O-N 2.96Å; Y95-R97 VanDerWaalsContact C-N 3.28Å; Y95-R97 PolarHBondContact O-N 3.35Å; R97-S100 PolarHBondContact O-OG 3.05Å |
| 98 | L | 45.3 | Very low | 43.5 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 60% | 0.602 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -81.9 | -43 | 173.3 | -79 | 164.7 | 0 | 0 | 0 | 111.6 | Y95 A96 S100 K101 | Y95-L98 PolarHBondContact O-N 3.25Å; Y95-L98 VanDerWaalsContact O-N 3.16Å; A96-L98 VanDerWaalsContact C-N 3.33Å; A96-L98 PolarHBondContact O-N 3.39Å; L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 2.92Å; L98-K101 PolarHBondContact O-N 3.47Å |
| 99 | N | 37.8 | Very low | 43.8 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 58% | 0.583 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.1 | -30.4 | -176.9 | -156.1 | -0.9 | 0 | 0 | 0 | 112.7 | Y95 K101 | Y95-N99 PolarHBondContact O-N 3.19Å; N99-K101 VanDerWaalsContact C-N 3.33Å; N99-K101 PolarHBondContact O-N 3.5Å |
| 100 | S | 42.8 | Very low | 43.9 | Very low | 67 Ų | 67 | 119.6 Ų | 119.6 | 47% | 0.469 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -77.8 | -8.4 | 177.9 | 62.4 | 0 | 0 | 0 | 0 | 115.4 | R97 L98 | R97-S100 PolarHBondContact O-OG 3.05Å; L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 2.92Å |
| 101 | K | 47.9 | Very low | 43.7 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 63% | 0.63 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -86.9 | -42.6 | 170.2 | -77.1 | -168.6 | 174.5 | -173.6 | 0 | 112.3 | L98 N99 R103 R104 | L98-K101 PolarHBondContact O-N 3.47Å; N99-K101 VanDerWaalsContact C-N 3.33Å; N99-K101 PolarHBondContact O-N 3.5Å; K101-R103 PolarHBondContact O-N 3.07Å; K101-R104 PolarHBondContact O-N 3.46Å |
| 102 | S | 45.7 | Very low | 43.3 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 62% | 0.615 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -58.8 | -43.7 | -177.7 | 177.5 | 0 | 0 | 0 | 0 | 112.7 | R104 N105 | S102-R104 VanDerWaalsContact C-N 3.29Å; S102-R104 PolarHBondContact O-N 2.83Å; S102-N105 PolarHBondContact O-N 3.36Å |
| 103 | R | 45.3 | Very low | 43 | Very low | 190 Ų | 190 | 121.4 Ų | 121.4 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -65.8 | -20.9 | -177.6 | -71.9 | -170.8 | 171.8 | -159.9 | -4.5 | 115.5 | K101 | K101-R103 PolarHBondContact O-N 3.07Š|
| 104 | R | 43.9 | Very low | 42.7 | Very low | 184 Ų | 184 | 123.4 Ų | 123.4 | 69% | 0.694 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -78.8 | -19.2 | -179 | -81.9 | -167.5 | -74.9 | 159.7 | -7.8 | 114.5 | K101 S102 | K101-R104 PolarHBondContact O-N 3.46Å; S102-R104 VanDerWaalsContact C-N 3.29Å; S102-R104 PolarHBondContact O-N 2.83Å |
| 105 | N | 43.3 | Very low | 42.3 | Very low | 158 Ų | 158 | 125.7 Ų | 125.7 | 85% | 0.845 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -93.2 | -2.4 | 177 | -68.2 | 18.5 | 0 | 0 | 0 | 113 | S102 | S102-N105 PolarHBondContact O-N 3.36Š|
| 106 | A | 44 | Very low | 41.7 | Very low | 90 Ų | 90 | 121 Ų | 121 | 74% | 0.744 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -109.2 | 5.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 107 | A | 40.4 | Very low | 41.6 | Very low | 82 Ų | 82 | 123 Ų | 123 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | | | trans | -145.4 | 55.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 108 | A | 41 | Very low | 41.1 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 72% | 0.719 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -136.9 | 140.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 109 | P | 45.7 | Very low | 40.9 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | | | | -96.8 | 142.4 | -130 | 33.7 | -36.6 | 0 | 0 | 0 | 116.2 | S111 | P109-S111 PolarHBondContact O-N 3.13Š|
| 110 | S | 42.3 | Very low | 41.6 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | | | trans | -83 | 74.8 | 165.3 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 111 | S | 38.5 | Very low | 41.4 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | | | trans | -165.6 | 138.8 | 174.5 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | P109 | P109-S111 PolarHBondContact O-N 3.13Š|
| 112 | S | 35.7 | Very low | 41.8 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | cis | 178.9 | 152.4 | -4.9 | 47.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 113 | V | 39 | Very low | 41.6 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | trans | 68.6 | 149.3 | 161.6 | 172.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 114 | Q | 37.4 | Very low | 41.4 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | cis | -97.1 | -166.3 | -8.8 | -50.8 | -175.4 | 165.8 | 0 | 0 | 110.7 | | |
| 115 | K | 36.8 | Very low | 41.3 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | | | cis | 82 | 141.3 | 0.8 | -148.6 | 177.5 | -179.9 | -174.2 | 0 | 120.2 | | |
| 116 | G | 31.6 | Very low | 41.1 | Very low | 56 Ų | 56 | 135.3 Ų | 135.3 | 58% | 0.577 | 78% | 0.782 | S | S | * | * | | | trans | 84.3 | 132.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 117 | S | 40.7 | Very low | 41 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | cis | 61.4 | 136.3 | 29.7 | 102.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 118 | E | 38.8 | Very low | 41 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | cis | -120.9 | -179.6 | 21.8 | -136.9 | 91.3 | 124.3 | 0 | 0 | 114.2 | | |
| 119 | Q | 41.2 | Very low | 41 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | -79.8 | 143.9 | 154 | -62.7 | 171 | -73.1 | 0 | 0 | 108.9 | | |
| 120 | D | 51.5 | Low | 40.6 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | -138.7 | 149 | 148.2 | -149 | -31.6 | 0 | 0 | 0 | 109 | | |
| 121 | T | 39.8 | Very low | 40.5 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | | | trans | -140.6 | 95.5 | -158.9 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 122 | R | 55.2 | Low | 40.7 | Very low | 316 Ų | 316 | 155.8 Ų | 155.8 | 100% | 1.192 | 81% | 0.812 | S | S | * | * | | | trans | -158.2 | 0 | 167.5 | -142.5 | 169.9 | -174.3 | 163.6 | 2.1 | 113.9 | | |