| 1 | M | 52.8 | Low | 67.5 | Low | 237 Ų | 237 | 154.6 Ų | 154.6 | 100% | 1.167 | 78% | 0.777 | S | S | * | * | | | | 0 | 117.5 | 0 | -164.1 | 167.6 | 170.4 | 0 | 0 | 106.6 | | |
| 2 | R | 64.3 | Low | 66.6 | Low | 245 Ų | 245 | 153.6 Ų | 153.6 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | trans | -105.8 | 112.7 | 178.7 | -67 | -128.6 | -78.9 | 174.7 | -4.7 | 107.5 | S4 | R2-S4 PolarHBondContact O-N 3.16Š|
| 3 | M | 69.2 | Low | 65.9 | Low | 171 Ų | 171 | 148.4 Ų | 148.4 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | | | trans | -68.5 | 111.8 | 166.2 | -108.7 | 120.4 | 154.2 | 0 | 0 | 106.5 | D5 | M3-D5 PolarHBondContact O-N 3.28Š|
| 4 | S | 66.8 | Low | 65.3 | Low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -76.7 | 109.8 | 168.9 | 38 | 0 | 0 | 0 | 0 | 107.9 | R2 I6 | R2-S4 PolarHBondContact O-N 3.16Å; S4-I6 PolarHBondContact O-N 3.28Å |
| 5 | D | 73.3 | Confident | 64.8 | Low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | | | trans | -65.5 | 115.3 | 175.2 | -61.4 | -51.5 | 0 | 0 | 0 | 109.1 | M3 V7 | M3-D5 PolarHBondContact O-N 3.28Å; D5-V7 PolarHBondContact O-N 3.35Å |
| 6 | I | 71.9 | Confident | 64.8 | Low | 150 Ų | 150 | 140.4 Ų | 140.4 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | | | trans | -77.2 | 103.4 | 175.5 | -60.8 | 171.9 | 0 | 0 | 0 | 106.9 | S4 I8 | S4-I6 PolarHBondContact O-N 3.28Å; I6-I8 PolarHBondContact O-N 3.27Å; I6-I8 HydrophobicContact CG2-CG1 4.09Å |
| 7 | V | 69.6 | Low | 64.6 | Low | 119 Ų | 119 | 140.9 Ų | 140.9 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | | | trans | -81.3 | 102.2 | 170.8 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | D5 I9 | D5-V7 PolarHBondContact O-N 3.35Å; V7-I9 HydrophobicContact CG1-CG1 4.06Å; V7-I9 PolarHBondContact O-N 3.07Å; V7-I9 VanDerWaalsContact O-N 3.09Å |
| 8 | I | 71.9 | Confident | 64.6 | Low | 134 Ų | 134 | 139.6 Ų | 139.6 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | | | trans | -75.3 | 96.5 | 171.9 | -56.8 | 175.4 | 0 | 0 | 0 | 107 | I6 K10 | I6-I8 PolarHBondContact O-N 3.27Å; I6-I8 HydrophobicContact CG2-CG1 4.09Å; I8-K10 HydrophobicContact CG2-CG 4.11Å; I8-K10 PolarHBondContact O-N 3.34Å; I8-K10 VanDerWaalsContact O-N 3.12Å |
| 9 | I | 69.8 | Low | 64.7 | Low | 147 Ų | 147 | 137.4 Ų | 137.4 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | | | trans | -75.7 | 96.3 | 166.8 | -55.5 | -178.4 | 0 | 0 | 0 | 105.8 | V7 D11 | V7-I9 HydrophobicContact CG1-CG1 4.06Å; V7-I9 PolarHBondContact O-N 3.07Å; V7-I9 VanDerWaalsContact O-N 3.09Å; I9-D11 PolarHBondContact O-N 3.44Å |
| 10 | K | 67.9 | Low | 64.7 | Low | 149 Ų | 149 | 137.4 Ų | 137.4 | 65% | 0.648 | 69% | 0.69 | S | S | * | * | | | trans | -65.9 | 129.6 | 166.2 | -67.1 | -174 | 177.2 | -173.2 | 0 | 106.8 | I8 E12 | I8-K10 HydrophobicContact CG2-CG 4.11Å; I8-K10 PolarHBondContact O-N 3.34Å; I8-K10 VanDerWaalsContact O-N 3.12Å; K10-E12 PolarHBondContact O-N 3.48Å; K10-E12 VanDerWaalsContact O-N 3.11Å |
| 11 | D | 64.5 | Low | 65 | Low | 98 Ų | 98 | 133.2 Ų | 133.2 | 52% | 0.524 | 68% | 0.677 | S | S | . | * | | | trans | -59.1 | 116.3 | 177.5 | -161.8 | -82.3 | 0 | 0 | 0 | 107.8 | I9 T13 E14 | I9-D11 PolarHBondContact O-N 3.44Å; D11-T13 PolarHBondContact O-N 3.01Å; D11-T13 VanDerWaalsContact OD1-CB 3.3Å; D11-T13 WeakPolarHBondContact OD1-CB 3.42Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.28Å; D11-T13 PolarHBondContact OD1-N 3.24Å; D11-T13 PolarHBondContact OD1-OG1 3.26Å; D11-E14 PolarHBondContact O-N 3.04Å |
| 12 | E | 57.5 | Low | 65.6 | Low | 142 Ų | 142 | 128.3 Ų | 128.3 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -59.7 | -12.8 | -172.3 | -65.1 | 179.9 | 101.4 | 0 | 0 | 112.4 | K10 T15 M16 | K10-E12 PolarHBondContact O-N 3.48Å; K10-E12 VanDerWaalsContact O-N 3.11Å; E12-T15 PolarHBondContact O-N 3.38Å; E12-T15 PolarHBondContact O-OG1 2.75Å; E12-T15 WeakPolarHBondContact CA-OG1 3.29Å; E12-M16 HydrophobicContact CB-CE 4.27Å; E12-M16 VanDerWaalsContact O-CG 3.3Å; E12-M16 WeakPolarHBondContact O-CG 3.4Å; E12-M16 PolarHBondContact O-N 3.44Å |
| 13 | T | 56.8 | Low | 65.7 | Low | 86 Ų | 86 | 122.3 Ų | 122.3 | 53% | 0.528 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -72 | -23.8 | 176.4 | 71.7 | 0 | 0 | 0 | 0 | 114 | D11 | D11-T13 PolarHBondContact O-N 3.01Å; D11-T13 VanDerWaalsContact OD1-CB 3.3Å; D11-T13 WeakPolarHBondContact OD1-CB 3.42Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.28Å; D11-T13 PolarHBondContact OD1-N 3.24Å; D11-T13 PolarHBondContact OD1-OG1 3.26Å |
| 14 | E | 57.3 | Low | 65.5 | Low | 130 Ų | 130 | 122.4 Ų | 122.4 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.1 | -42.4 | 173.1 | -68.3 | -170.4 | 113 | 0 | 0 | 110.4 | D11 M16 K17 | D11-E14 PolarHBondContact O-N 3.04Å; E14-M16 VanDerWaalsContact C-N 3.34Å; E14-M16 PolarHBondContact O-N 3.41Å; E14-K17 PolarHBondContact O-N 2.94Å |
| 15 | T | 57.9 | Low | 65.3 | Low | 78 Ų | 78 | 122.4 Ų | 122.4 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.8 | -24.9 | -179.6 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | E12 L19 | E12-T15 PolarHBondContact O-N 3.38Å; E12-T15 PolarHBondContact O-OG1 2.75Å; E12-T15 WeakPolarHBondContact CA-OG1 3.29Å; T15-L19 PolarHBondContact O-N 2.99Å |
| 16 | M | 65.2 | Low | 64.6 | Low | 110 Ų | 110 | 119.1 Ų | 119.1 | 54% | 0.542 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -75.9 | -32.2 | 176.5 | -72 | 179.1 | -168.9 | 0 | 0 | 112.6 | E12 E14 L19 E20 | E12-M16 HydrophobicContact CB-CE 4.27Å; E12-M16 VanDerWaalsContact O-CG 3.3Å; E12-M16 WeakPolarHBondContact O-CG 3.4Å; E12-M16 PolarHBondContact O-N 3.44Å; E14-M16 VanDerWaalsContact C-N 3.34Å; E14-M16 PolarHBondContact O-N 3.41Å; M16-L19 PolarHBondContact O-N 3.39Å; M16-E20 WeakPolarHBondContact O-CG 3.24Å; M16-E20 PolarHBondContact O-N 3.41Å |
| 17 | K | 62.1 | Low | 64 | Low | 149 Ų | 149 | 115.6 Ų | 115.6 | 65% | 0.648 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.7 | -39.7 | 178.4 | -77 | -179.1 | 178.2 | 175.2 | 0 | 112.6 | E14 L19 E20 A21 | E14-K17 PolarHBondContact O-N 2.94Å; K17-L19 VanDerWaalsContact C-N 3.32Å; K17-E20 PolarHBondContact O-N 3.44Å; K17-A21 PolarHBondContact O-N 3.11Å; K17-A21 VanDerWaalsContact O-N 3.11Å |
| 18 | D | 64 | Low | 63.5 | Low | 117 Ų | 117 | 117.7 Ų | 117.7 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.8 | -39.8 | 177 | -69.2 | -27.7 | 0 | 0 | 0 | 110.9 | A21 E22 | D18-A21 PolarHBondContact O-N 3.46Å; D18-E22 PolarHBondContact O-N 3.44Å |
| 19 | L | 66.4 | Low | 62.9 | Low | 97 Ų | 97 | 116.6 Ų | 116.6 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -42.8 | 176.7 | -174.2 | 63.6 | 0 | 0 | 0 | 112.3 | T15 M16 K17 A21 E22 M23 | T15-L19 PolarHBondContact O-N 2.99Å; M16-L19 PolarHBondContact O-N 3.39Å; K17-L19 VanDerWaalsContact C-N 3.32Å; L19-A21 VanDerWaalsContact C-N 3.31Å; L19-A21 PolarHBondContact O-N 3.47Å; L19-E22 PolarHBondContact O-N 3.44Å; L19-M23 PolarHBondContact O-N 2.94Å; L19-M23 WeakPolarHBondContact O-CG 3.45Å; L19-M23 VanDerWaalsContact O-CG 3.24Å; L19-M23 WeakPolarHBondContact O-CB 3.3Å; L19-M23 HydrophobicContact CG-SD 4.25Å; L19-M23 HydrophobicContact CG-CG 4.5Å; L19-M23 HydrophobicContact CD1-CG 4.42Å |
| 20 | E | 65.2 | Low | 62.3 | Low | 138 Ų | 138 | 116.8 Ų | 116.8 | 65% | 0.645 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.8 | -37.3 | 176.1 | -76.1 | -178.2 | 171.5 | 0 | 0 | 112.5 | M16 K17 R24 | M16-E20 WeakPolarHBondContact O-CG 3.24Å; M16-E20 PolarHBondContact O-N 3.41Å; K17-E20 PolarHBondContact O-N 3.44Å; E20-R24 VanDerWaalsContact O-CB 3.28Å; E20-R24 WeakPolarHBondContact O-CB 3.37Å; E20-R24 PolarHBondContact O-N 3.04Å |
| 21 | A | 70.9 | Confident | 61.7 | Low | 50 Ų | 50 | 116.3 Ų | 116.3 | 41% | 0.413 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.4 | -48.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K17 D18 L19 M23 R24 D25 | K17-A21 PolarHBondContact O-N 3.11Å; K17-A21 VanDerWaalsContact O-N 3.11Å; D18-A21 PolarHBondContact O-N 3.46Å; L19-A21 VanDerWaalsContact C-N 3.31Å; L19-A21 PolarHBondContact O-N 3.47Å; A21-M23 PolarHBondContact O-N 3.46Å; A21-R24 PolarHBondContact O-N 2.99Å; A21-D25 PolarHBondContact O-N 2.9Å |
| 22 | E | 64.3 | Low | 61 | Low | 134 Ų | 134 | 122.1 Ų | 122.1 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.3 | -42.1 | 178.1 | -170.6 | 177.7 | 158.5 | 0 | 0 | 112.1 | D18 L19 D25 T26 | D18-E22 PolarHBondContact O-N 3.44Å; L19-E22 PolarHBondContact O-N 3.44Å; E22-D25 PolarHBondContact O-N 3.02Å; E22-T26 PolarHBondContact O-OG1 3.12Å; E22-T26 PolarHBondContact O-N 3.46Å |
| 23 | M | 68.3 | Low | 61.2 | Low | 118 Ų | 118 | 121.1 Ų | 121.1 | 58% | 0.581 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -42.3 | 176 | -72 | -173.2 | 74.6 | 0 | 0 | 112 | L19 A21 D25 T26 T27 | L19-M23 PolarHBondContact O-N 2.94Å; L19-M23 WeakPolarHBondContact O-CG 3.45Å; L19-M23 VanDerWaalsContact O-CG 3.24Å; L19-M23 WeakPolarHBondContact O-CB 3.3Å; L19-M23 HydrophobicContact CG-SD 4.25Å; L19-M23 HydrophobicContact CG-CG 4.5Å; L19-M23 HydrophobicContact CD1-CG 4.42Å; A21-M23 PolarHBondContact O-N 3.46Å; M23-D25 VanDerWaalsContact C-N 3.35Å; M23-D25 PolarHBondContact O-N 3.17Å; M23-T26 PolarHBondContact O-N 2.55Å; M23-T27 PolarHBondContact O-N 3.11Å; M23-T27 PolarHBondContact O-OG1 3.42Å |
| 24 | R | 64.3 | Low | 61.4 | Low | 173 Ų | 173 | 122.9 Ų | 122.9 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.6 | -38.4 | 178.7 | -173.5 | -179.5 | -175.1 | -151.8 | 3 | 112.4 | E20 A21 R28 | E20-R24 VanDerWaalsContact O-CB 3.28Å; E20-R24 WeakPolarHBondContact O-CB 3.37Å; E20-R24 PolarHBondContact O-N 3.04Å; A21-R24 PolarHBondContact O-N 2.99Å; R24-R28 VanDerWaalsContact O-CG 3.29Å; R24-R28 WeakPolarHBondContact O-CG 3.19Å; R24-R28 PolarHBondContact O-N 3.22Å |
| 25 | D | 61.6 | Low | 61.6 | Low | 105 Ų | 105 | 122.6 Ų | 122.6 | 56% | 0.561 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.2 | -41.1 | 175 | -88.1 | -68.7 | 0 | 0 | 0 | 111.3 | A21 E22 M23 R28 V29 | A21-D25 PolarHBondContact O-N 2.9Å; E22-D25 PolarHBondContact O-N 3.02Å; M23-D25 VanDerWaalsContact C-N 3.35Å; M23-D25 PolarHBondContact O-N 3.17Å; D25-R28 PolarHBondContact O-N 2.88Å; D25-V29 WeakPolarHBondContact O-CG2 3.3Å; D25-V29 PolarHBondContact O-N 3.29Å |
| 26 | T | 59.9 | Low | 61.9 | Low | 77 Ų | 77 | 125.2 Ų | 125.2 | 47% | 0.472 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.8 | -45.8 | 178.4 | -47.1 | 0 | 0 | 0 | 0 | 112 | E22 M23 R28 V29 E30 | E22-T26 PolarHBondContact O-OG1 3.12Å; E22-T26 PolarHBondContact O-N 3.46Å; M23-T26 PolarHBondContact O-N 2.55Å; T26-R28 VanDerWaalsContact C-N 3.25Å; T26-R28 PolarHBondContact O-N 3.46Å; T26-V29 PolarHBondContact O-N 3.2Å; T26-V29 VanDerWaalsContact O-N 3.16Å; T26-E30 PolarHBondContact O-N 3.09Å |
| 27 | T | 59.5 | Low | 61.7 | Low | 77 Ų | 77 | 126.1 Ų | 126.1 | 47% | 0.472 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.4 | -22.1 | 179.7 | -45.1 | 0 | 0 | 0 | 0 | 113.4 | M23 | M23-T27 PolarHBondContact O-N 3.11Å; M23-T27 PolarHBondContact O-OG1 3.42Å |
| 28 | R | 57.5 | Low | 61.6 | Low | 163 Ų | 163 | 124.6 Ų | 124.6 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -77.1 | -31 | 173.4 | -77.6 | 175.8 | 67.1 | 121.1 | 4.1 | 112.8 | R24 D25 T26 E30 | R24-R28 VanDerWaalsContact O-CG 3.29Å; R24-R28 WeakPolarHBondContact O-CG 3.19Å; R24-R28 PolarHBondContact O-N 3.22Å; D25-R28 PolarHBondContact O-N 2.88Å; T26-R28 VanDerWaalsContact C-N 3.25Å; T26-R28 PolarHBondContact O-N 3.46Å; R28-E30 VanDerWaalsContact C-N 3.32Å |
| 29 | V | 59.1 | Low | 61.5 | Low | 111 Ų | 111 | 125.1 Ų | 125.1 | 67% | 0.673 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72 | -30.4 | 176.9 | 175.3 | 0 | 0 | 0 | 0 | 111 | D25 T26 N31 | D25-V29 WeakPolarHBondContact O-CG2 3.3Å; D25-V29 PolarHBondContact O-N 3.29Å; T26-V29 PolarHBondContact O-N 3.2Å; T26-V29 VanDerWaalsContact O-N 3.16Å; V29-N31 VanDerWaalsContact C-N 3.31Å; V29-N31 PolarHBondContact O-N 3.25Å |
| 30 | E | 58.1 | Low | 61.1 | Low | 151 Ų | 151 | 127.3 Ų | 127.3 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -8.3 | 179.1 | -63.4 | -173.1 | 111.5 | 0 | 0 | 114.5 | T26 R28 | T26-E30 PolarHBondContact O-N 3.09Å; R28-E30 VanDerWaalsContact C-N 3.32Å |
| 31 | N | 54.6 | Low | 60.7 | Low | 138 Ų | 138 | 126.4 Ų | 126.4 | 74% | 0.738 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 17.3 | -179.7 | -95.8 | -61.3 | 0 | 0 | 0 | 114.1 | V29 | V29-N31 VanDerWaalsContact C-N 3.31Å; V29-N31 PolarHBondContact O-N 3.25Å |
| 32 | L | 50.8 | Low | 59.8 | Low | 220 Ų | 220 | 133.4 Ų | 133.4 | 100% | 1.152 | 66% | 0.659 | S | S | * | * | | | trans | -112.6 | 0 | 167.9 | -121.9 | 91 | 0 | 0 | 0 | 110.4 | | |