| 1 | M | 58 | Low | 66.7 | Low | 235 Ų | 235 | 134.1 Ų | 134.1 | 100% | 1.158 | 71% | 0.713 | S | S | * | * | | | | 0 | 105.7 | 0 | -65.6 | -175.6 | 170.4 | 0 | 0 | 104.1 | E3 | M1-E3 PolarHBondContact O-N 3.14Š|
| 2 | A | 64 | Low | 67.1 | Low | 95 Ų | 95 | 136.7 Ų | 136.7 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | | | trans | -57.6 | 127.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | D4 | A2-D4 PolarHBondContact O-N 2.72Å; A2-D4 VanDerWaalsContact O-N 3.17Å |
| 3 | E | 65.4 | Low | 67 | Low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 70% | 0.701 | S | S | * | * | | | trans | -39.4 | 122.2 | -178.8 | -68.4 | 168.6 | 172.3 | 0 | 0 | 109.3 | M1 F5 | M1-E3 PolarHBondContact O-N 3.14Å; E3-F5 VanDerWaalsContact C-N 3.33Å; E3-F5 PolarHBondContact O-N 2.78Å |
| 4 | D | 68.5 | Low | 66.9 | Low | 160 Ų | 160 | 128.7 Ų | 128.7 | 86% | 0.856 | 70% | 0.698 | S | S | * | * | | | trans | -56.5 | 101.8 | -179.7 | -64.9 | -46.5 | 0 | 0 | 0 | 107.1 | A2 D6 | A2-D4 PolarHBondContact O-N 2.72Å; A2-D4 VanDerWaalsContact O-N 3.17Å; D4-D6 PolarHBondContact O-N 2.9Å |
| 5 | F | 65.5 | Low | 66.6 | Low | 157 Ų | 157 | 134.1 Ų | 134.1 | 69% | 0.689 | 71% | 0.707 | S | S | * | * | | | trans | -64.8 | 101.5 | 178.4 | -159.8 | -105.8 | 0 | 0 | 0 | 105.3 | E3 V7 M10 | E3-F5 VanDerWaalsContact C-N 3.33Å; E3-F5 PolarHBondContact O-N 2.78Å; F5-V7 HydrophobicContact CD1-CG2 4.38Å; F5-V7 WeakPolarHBondContact O-CG2 3.47Å; F5-V7 PolarHBondContact O-N 2.8Å; F5-M10 HydrophobicContact CZ-CE 4.03Å; F5-M10 VanDerWaalsContact CZ-SD 3.59Å; F5-M10 HydrophobicContact CZ-SD 3.59Å; F5-M10 WeakPolarHBondContact CE1-SD 3.1Å; F5-M10 HydrophobicContact CE1-SD 3.1Å; F5-M10 HydrophobicContact CE1-CE 3.79Å; F5-M10 HydrophobicContact CD1-SD 3.73Å |
| 6 | D | 72.8 | Confident | 66.3 | Low | 96 Ų | 96 | 136 Ų | 136 | 51% | 0.513 | 71% | 0.713 | S | S | . | * | | | trans | -69.8 | 84.9 | -174.2 | -170.3 | -13 | 0 | 0 | 0 | 109.5 | D4 E8 A9 M10 | D4-D6 PolarHBondContact O-N 2.9Å; D6-E8 PolarHBondContact O-N 2.66Å; D6-E8 WeakPolarHBondContact OD1-CB 3.48Å; D6-E8 PolarHBondContact OD1-N 2.8Å; D6-A9 HydrophobicContact CB-CB 3.99Å; D6-A9 PolarHBondContact O-N 3.01Å; D6-A9 PolarHBondContact OD1-N 3.3Å; D6-M10 PolarHBondContact O-N 3.24Å |
| 7 | V | 68.1 | Low | 66.2 | Low | 83 Ų | 83 | 136.9 Ų | 136.9 | 50% | 0.503 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -61.5 | -30.2 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | F5 M10 L11 | F5-V7 HydrophobicContact CD1-CG2 4.38Å; F5-V7 WeakPolarHBondContact O-CG2 3.47Å; F5-V7 PolarHBondContact O-N 2.8Å; V7-M10 PolarHBondContact O-N 3.31Å; V7-L11 HydrophobicContact CG1-CD1 3.81Å; V7-L11 PolarHBondContact O-N 3.02Å; V7-L11 WeakPolarHBondContact O-CG 3.47Å; V7-L11 WeakPolarHBondContact O-CB 3.26Å; V7-L11 HydrophobicContact CG1-CG 4.22Å; V7-L11 VanDerWaalsContact O-CG 3.26Å |
| 8 | E | 66.8 | Low | 65.9 | Low | 156 Ų | 156 | 136.9 Ų | 136.9 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -67.5 | -44.4 | 178 | -62.8 | -173.7 | 168 | 0 | 0 | 110.4 | D6 M10 L11 E12 | D6-E8 PolarHBondContact O-N 2.66Å; D6-E8 WeakPolarHBondContact OD1-CB 3.48Å; D6-E8 PolarHBondContact OD1-N 2.8Å; E8-M10 VanDerWaalsContact C-N 3.25Å; E8-M10 PolarHBondContact O-N 3.28Å; E8-L11 PolarHBondContact O-N 3.32Å; E8-E12 PolarHBondContact O-N 3.19Å |
| 9 | A | 68.7 | Low | 65.7 | Low | 58 Ų | 58 | 139.6 Ų | 139.6 | 48% | 0.479 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -62.4 | -30 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | D6 | D6-A9 HydrophobicContact CB-CB 3.99Å; D6-A9 PolarHBondContact O-N 3.01Å; D6-A9 PolarHBondContact OD1-N 3.3Å |
| 10 | M | 68.2 | Low | 65.7 | Low | 113 Ų | 113 | 140.3 Ų | 140.3 | 56% | 0.557 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -77.3 | -33.1 | 175.8 | -68 | -179.6 | 68.5 | 0 | 0 | 113.2 | F5 D6 V7 E8 A13 | F5-M10 HydrophobicContact CZ-CE 4.03Å; F5-M10 VanDerWaalsContact CZ-SD 3.59Å; F5-M10 HydrophobicContact CZ-SD 3.59Å; F5-M10 WeakPolarHBondContact CE1-SD 3.1Å; F5-M10 HydrophobicContact CE1-SD 3.1Å; F5-M10 HydrophobicContact CE1-CE 3.79Å; F5-M10 HydrophobicContact CD1-SD 3.73Å; D6-M10 PolarHBondContact O-N 3.24Å; V7-M10 PolarHBondContact O-N 3.31Å; E8-M10 VanDerWaalsContact C-N 3.25Å; E8-M10 PolarHBondContact O-N 3.28Å; M10-A13 WeakPolarHBondContact O-CB 3.46Å |
| 11 | L | 68.3 | Low | 65.4 | Low | 134 Ų | 134 | 145.1 Ų | 145.1 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -79.2 | -24.3 | 178.9 | -71.2 | 172.5 | 0 | 0 | 0 | 112.7 | V7 E8 A13 | V7-L11 HydrophobicContact CG1-CD1 3.81Å; V7-L11 PolarHBondContact O-N 3.02Å; V7-L11 WeakPolarHBondContact O-CG 3.47Å; V7-L11 WeakPolarHBondContact O-CB 3.26Å; V7-L11 HydrophobicContact CG1-CG 4.22Å; V7-L11 VanDerWaalsContact O-CG 3.26Å; E8-L11 PolarHBondContact O-N 3.32Å; L11-A13 PolarHBondContact O-N 3.34Å |
| 12 | E | 70.7 | Confident | 65.8 | Low | 165 Ų | 165 | 140.6 Ų | 140.6 | 77% | 0.771 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -2 | 172.9 | -88.8 | -168.8 | 162.8 | 0 | 0 | 114.3 | E8 P14 | E8-E12 PolarHBondContact O-N 3.19Å; E12-P14 WeakPolarHBondContact O-CD 3.43Å |
| 13 | A | 65.9 | Low | 65.9 | Low | 60 Ų | 60 | 143 Ų | 143 | 50% | 0.496 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -51.9 | 120.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | M10 L11 Y15 | M10-A13 WeakPolarHBondContact O-CB 3.46Å; L11-A13 PolarHBondContact O-N 3.34Å; A13-Y15 PolarHBondContact O-N 3.01Å |
| 14 | P | 65.9 | Low | 65.9 | Low | 102 Ų | 102 | 140.5 Ų | 140.5 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | | | trans | -62.8 | 108.3 | -176.9 | 25.5 | -31.5 | 0 | 0 | 0 | 105.3 | E12 M16 | E12-P14 WeakPolarHBondContact O-CD 3.43Å; P14-M16 PolarHBondContact O-N 2.91Å |
| 15 | Y | 62.1 | Low | 65.7 | Low | 210 Ų | 210 | 139.4 Ų | 139.4 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | | | trans | -55.5 | 94.6 | 167.4 | 46.5 | -85.8 | 0 | 0 | 0 | 104.5 | A13 K17 | A13-Y15 PolarHBondContact O-N 3.01Å; Y15-K17 PolarHBondContact O-N 3.19Å |
| 16 | M | 62.6 | Low | 65.7 | Low | 164 Ų | 164 | 138.3 Ų | 138.3 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | | | trans | -55.6 | 111 | -170.7 | -87 | -98.9 | -146.5 | 0 | 0 | 105.2 | P14 N18 | P14-M16 PolarHBondContact O-N 2.91Å; M16-N18 PolarHBondContact O-N 3.17Å |
| 17 | K | 63.4 | Low | 65.3 | Low | 152 Ų | 152 | 141.1 Ų | 141.1 | 66% | 0.661 | 70% | 0.703 | S | S | * | * | | | trans | -66.5 | 77.6 | -171.8 | -165 | -178.8 | -167.6 | 173.5 | 0 | 106 | Y15 R19 | Y15-K17 PolarHBondContact O-N 3.19Å; K17-R19 HydrophobicContact CG-CG 4.32Å; K17-R19 PolarHBondContact O-N 2.79Å |
| 18 | N | 61.1 | Low | 65.1 | Low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | | | trans | -71.8 | 72.7 | 165.3 | -78.1 | -1.6 | 0 | 0 | 0 | 106.2 | M16 I20 | M16-N18 PolarHBondContact O-N 3.17Å; N18-I20 HydrophobicContact CB-CG1 4.33Å; N18-I20 PolarHBondContact O-N 2.78Å |
| 19 | R | 62.6 | Low | 64.9 | Low | 187 Ų | 187 | 144.4 Ų | 144.4 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | | | trans | -61.5 | 87.2 | 148.4 | -82 | -175.5 | -177.3 | -173.7 | 1.1 | 104.9 | K17 E21 | K17-R19 HydrophobicContact CG-CG 4.32Å; K17-R19 PolarHBondContact O-N 2.79Å; R19-E21 VanDerWaalsContact C-N 3.26Å; R19-E21 PolarHBondContact O-N 3.27Å; R19-E21 VanDerWaalsContact O-N 3.14Å |
| 20 | I | 66.1 | Low | 64.6 | Low | 153 Ų | 153 | 151.6 Ų | 151.6 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | trans | -70.2 | 98.9 | 158.4 | -57.5 | 174.4 | 0 | 0 | 0 | 103.2 | N18 | N18-I20 HydrophobicContact CB-CG1 4.33Å; N18-I20 PolarHBondContact O-N 2.78Å |
| 21 | E | 58.6 | Low | 64.3 | Low | 242 Ų | 242 | 155.1 Ų | 155.1 | 100% | 1.131 | 75% | 0.752 | S | S | * | * | | | trans | -68.3 | 0 | 156.3 | -72 | -176.7 | 173.9 | 0 | 0 | 109.4 | R19 | R19-E21 VanDerWaalsContact C-N 3.26Å; R19-E21 PolarHBondContact O-N 3.27Å; R19-E21 VanDerWaalsContact O-N 3.14Å |