| 1 | K | 67 | Low | 67.6 | Low | 234 Ų | 234 | 131.9 Ų | 131.9 | 100% | 1.017 | 64% | 0.638 | S | S | * | * | | | | 0 | -49.5 | 0 | -69.4 | -177.3 | 178.4 | -179.5 | 0 | 110.6 | R3 K4 | K1-R3 PolarHBondContact O-N 3.31Å; K1-K4 PolarHBondContact O-N 2.91Å |
| 2 | L | 69.6 | Low | 67.3 | Low | 120 Ų | 120 | 138.8 Ų | 138.8 | 63% | 0.628 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -54.8 | -40 | 176.9 | -163.3 | 71.3 | 0 | 0 | 0 | 116.4 | K4 E5 I6 | L2-K4 VanDerWaalsContact C-N 3.26Å; L2-K4 PolarHBondContact O-N 3.46Å; L2-E5 PolarHBondContact O-N 3.49Å; L2-E5 VanDerWaalsContact O-N 3.13Å; L2-I6 HydrophobicContact CD2-CD1 4.32Å; L2-I6 HydrophobicContact CG-CD1 3.99Å; L2-I6 WeakPolarHBondContact O-CG1 3.3Å; L2-I6 PolarHBondContact O-N 3.48Å |
| 3 | R | 68.9 | Low | 67.3 | Low | 211 Ų | 211 | 134.5 Ų | 134.5 | 80% | 0.796 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -58.7 | -36.4 | -179.8 | -173 | -177.4 | -79.4 | -154.5 | -2.8 | 112.8 | K1 E7 | K1-R3 PolarHBondContact O-N 3.31Å; R3-E7 WeakPolarHBondContact O-CB 3.4Å; R3-E7 PolarHBondContact O-N 3.31Å |
| 4 | K | 69.9 | Low | 67.5 | Low | 165 Ų | 165 | 131.9 Ų | 131.9 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.8 | -35.9 | 178.2 | -82.6 | -170.8 | 171.6 | -172.2 | 0 | 112.1 | K1 L2 E7 V8 | K1-K4 PolarHBondContact O-N 2.91Å; L2-K4 VanDerWaalsContact C-N 3.26Å; L2-K4 PolarHBondContact O-N 3.46Å; K4-E7 PolarHBondContact O-N 2.82Å; K4-V8 PolarHBondContact O-N 2.96Å; K4-V8 WeakPolarHBondContact O-CG2 3.47Å; K4-V8 VanDerWaalsContact O-CG2 3.28Å |
| 5 | E | 68 | Low | 67.6 | Low | 124 Ų | 124 | 132.3 Ų | 132.3 | 58% | 0.579 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.7 | -41.4 | 178.9 | -66.9 | 176.1 | 166.4 | 0 | 0 | 110.7 | L2 E7 V8 S9 | L2-E5 PolarHBondContact O-N 3.49Å; L2-E5 VanDerWaalsContact O-N 3.13Å; E5-E7 PolarHBondContact O-N 3.06Å; E5-V8 PolarHBondContact O-N 3.13Å; E5-S9 PolarHBondContact O-N 3.33Å; E5-S9 PolarHBondContact O-OG 3.05Å |
| 6 | I | 71.8 | Confident | 67.7 | Low | 87 Ų | 87 | 131.1 Ų | 131.1 | 45% | 0.446 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.5 | -42.2 | 174.1 | -66.1 | 169.9 | 0 | 0 | 0 | 111 | L2 V8 S9 L10 | L2-I6 HydrophobicContact CD2-CD1 4.32Å; L2-I6 HydrophobicContact CG-CD1 3.99Å; L2-I6 WeakPolarHBondContact O-CG1 3.3Å; L2-I6 PolarHBondContact O-N 3.48Å; I6-V8 PolarHBondContact O-N 3.26Å; I6-S9 PolarHBondContact O-N 3.46Å; I6-L10 HydrophobicContact CG2-CD1 3.58Å; I6-L10 HydrophobicContact CG2-CG 4.1Å; I6-L10 VanDerWaalsContact O-CB 3.3Å; I6-L10 WeakPolarHBondContact O-CB 3.28Å; I6-L10 VanDerWaalsContact O-CG 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.3Å; I6-L10 PolarHBondContact O-N 3.07Å |
| 7 | E | 66.2 | Low | 68.1 | Low | 114 Ų | 114 | 128.1 Ų | 128.1 | 53% | 0.533 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.6 | -37.3 | 178.4 | -166.3 | 178.3 | 137.4 | 0 | 0 | 112.4 | R3 K4 E5 N11 | R3-E7 WeakPolarHBondContact O-CB 3.4Å; R3-E7 PolarHBondContact O-N 3.31Å; K4-E7 PolarHBondContact O-N 2.82Å; E5-E7 PolarHBondContact O-N 3.06Å; E7-N11 PolarHBondContact O-N 2.79Å; E7-N11 PolarHBondContact O-ND2 3.17Å; E7-N11 VanDerWaalsContact O-CB 3.3Å; E7-N11 WeakPolarHBondContact O-CB 3.26Å |
| 8 | V | 68.2 | Low | 68.6 | Low | 103 Ų | 103 | 123.9 Ų | 123.9 | 62% | 0.624 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.9 | -41.2 | 174.1 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | K4 E5 I6 | K4-V8 PolarHBondContact O-N 2.96Å; K4-V8 WeakPolarHBondContact O-CG2 3.47Å; K4-V8 VanDerWaalsContact O-CG2 3.28Å; E5-V8 PolarHBondContact O-N 3.13Å; I6-V8 PolarHBondContact O-N 3.26Å |
| 9 | S | 66.3 | Low | 68.5 | Low | 72 Ų | 72 | 126.7 Ų | 126.7 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.6 | -37 | 177.1 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | E5 I6 Y12 L13 | E5-S9 PolarHBondContact O-N 3.33Å; E5-S9 PolarHBondContact O-OG 3.05Å; I6-S9 PolarHBondContact O-N 3.46Å; S9-Y12 PolarHBondContact O-N 3.25Å; S9-L13 PolarHBondContact O-N 3.19Å |
| 10 | L | 65.1 | Low | 69.1 | Low | 88 Ų | 88 | 127.6 Ų | 127.6 | 46% | 0.461 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -76.8 | -30.8 | 177.8 | -71.4 | 176.1 | 0 | 0 | 0 | 112.7 | I6 Y12 L13 L18 | I6-L10 HydrophobicContact CG2-CD1 3.58Å; I6-L10 HydrophobicContact CG2-CG 4.1Å; I6-L10 VanDerWaalsContact O-CB 3.3Å; I6-L10 WeakPolarHBondContact O-CB 3.28Å; I6-L10 VanDerWaalsContact O-CG 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.3Å; I6-L10 PolarHBondContact O-N 3.07Å; L10-Y12 PolarHBondContact O-N 3.38Å; L10-L13 CarbonylContact O-C 3.59Å; L10-L13 PolarHBondContact O-N 3.43Å; L10-L18 HydrophobicContact CD2-CD1 3.84Å |
| 11 | N | 62.3 | Low | 69.5 | Low | 133 Ų | 133 | 129.3 Ų | 129.3 | 71% | 0.711 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.3 | -18.9 | 172.1 | -88.5 | -24.2 | 0 | 0 | 0 | 113 | E7 | E7-N11 PolarHBondContact O-N 2.79Å; E7-N11 PolarHBondContact O-ND2 3.17Å; E7-N11 VanDerWaalsContact O-CB 3.3Å; E7-N11 WeakPolarHBondContact O-CB 3.26Å |
| 12 | Y | 64.4 | Low | 69.3 | Low | 215 Ų | 215 | 129.3 Ų | 129.3 | 84% | 0.843 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -14.7 | 176.4 | -133.5 | -92.7 | 0 | 0 | 0 | 113.2 | S9 L10 | S9-Y12 PolarHBondContact O-N 3.25Å; L10-Y12 PolarHBondContact O-N 3.38Å |
| 13 | L | 67.1 | Low | 69.3 | Low | 83 Ų | 83 | 129.8 Ų | 129.8 | 44% | 0.435 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -106.7 | 111.2 | 178.4 | -80.8 | 155 | 0 | 0 | 0 | 108 | S9 L10 F15 L18 | S9-L13 PolarHBondContact O-N 3.19Å; L10-L13 CarbonylContact O-C 3.59Å; L10-L13 PolarHBondContact O-N 3.43Å; L13-F15 PolarHBondContact O-N 3.02Å; L13-L18 HydrophobicContact CB-CD1 3.72Å; L13-L18 HydrophobicContact CB-CG 4.11Å; L13-L18 HydrophobicContact CD1-CD1 4.33Å; L13-L18 HydrophobicContact CD1-CD2 4.25Å; L13-L18 HydrophobicContact CD2-CD2 4.19Å; L13-L18 HydrophobicContact CD2-CG 4.45Å; L13-L18 HydrophobicContact CG-CD1 4.5Å |
| 14 | D | 70.6 | Confident | 69.3 | Low | 98 Ų | 98 | 125.5 Ų | 125.5 | 52% | 0.524 | 61% | 0.609 | S | S | . | * | | | trans | -53.2 | 116.7 | 170.1 | -166.8 | -30.3 | 0 | 0 | 0 | 108.2 | N16 V17 L18 | D14-N16 PolarHBondContact OD1-ND2 3.49Å; D14-N16 WeakPolarHBondContact OD1-CB 3.48Å; D14-N16 PolarHBondContact OD1-N 3.26Å; D14-N16 PolarHBondContact O-N 3.19Å; D14-V17 HydrophobicContact CB-CG2 4.13Å; D14-V17 WeakPolarHBondContact O-CB 3.36Å; D14-V17 PolarHBondContact O-N 3.17Å; D14-L18 PolarHBondContact O-N 3.27Å |
| 15 | F | 68.6 | Low | 69.3 | Low | 138 Ų | 138 | 123.3 Ų | 123.3 | 61% | 0.605 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -55.7 | -27.4 | -175.2 | -171.4 | -94.1 | 0 | 0 | 0 | 111.3 | L13 V17 L18 W19 | L13-F15 PolarHBondContact O-N 3.02Å; F15-V17 VanDerWaalsContact C-N 3.32Å; F15-V17 PolarHBondContact O-N 3Å; F15-L18 PolarHBondContact O-N 2.87Å; F15-W19 HydrophobicContact CE1-CE3 4.29Å; F15-W19 HydrophobicContact CZ-CE3 4.15Å; F15-W19 PolarHBondContact O-N 3.3Å |
| 16 | N | 69.4 | Low | 69.3 | Low | 112 Ų | 112 | 123.3 Ų | 123.3 | 60% | 0.599 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63 | -35.3 | 175.6 | -61.2 | -53.3 | 0 | 0 | 0 | 112.8 | D14 D20 | D14-N16 PolarHBondContact OD1-ND2 3.49Å; D14-N16 WeakPolarHBondContact OD1-CB 3.48Å; D14-N16 PolarHBondContact OD1-N 3.26Å; D14-N16 PolarHBondContact O-N 3.19Å; N16-D20 PolarHBondContact O-N 3.41Å |
| 17 | V | 74.6 | Confident | 69.2 | Low | 81 Ų | 81 | 125.6 Ų | 125.6 | 49% | 0.491 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -75.2 | -35 | 179.9 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | D14 F15 H21 | D14-V17 HydrophobicContact CB-CG2 4.13Å; D14-V17 WeakPolarHBondContact O-CB 3.36Å; D14-V17 PolarHBondContact O-N 3.17Å; F15-V17 VanDerWaalsContact C-N 3.32Å; F15-V17 PolarHBondContact O-N 3Å; V17-H21 PolarHBondContact O-ND1 3.42Å |
| 18 | L | 76 | Confident | 69.4 | Low | 52 Ų | 52 | 126.3 Ų | 126.3 | 27% | 0.272 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -69 | -37.3 | 178.6 | -72 | 172.8 | 0 | 0 | 0 | 111.7 | L10 L13 D14 F15 F22 | L10-L18 HydrophobicContact CD2-CD1 3.84Å; L13-L18 HydrophobicContact CB-CD1 3.72Å; L13-L18 HydrophobicContact CB-CG 4.11Å; L13-L18 HydrophobicContact CD1-CD1 4.33Å; L13-L18 HydrophobicContact CD1-CD2 4.25Å; L13-L18 HydrophobicContact CD2-CD2 4.19Å; L13-L18 HydrophobicContact CD2-CG 4.45Å; L13-L18 HydrophobicContact CG-CD1 4.5Å; D14-L18 PolarHBondContact O-N 3.27Å; F15-L18 PolarHBondContact O-N 2.87Å; L18-F22 WeakPolarHBondContact O-CD2 3.42Å |
| 19 | W | 68.4 | Low | 69.5 | Low | 178 Ų | 178 | 128 Ų | 128 | 67% | 0.674 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -76.1 | -30.1 | -179.5 | -158.3 | -95.1 | 0 | 0 | 0 | 113 | F15 H21 | F15-W19 HydrophobicContact CE1-CE3 4.29Å; F15-W19 HydrophobicContact CZ-CE3 4.15Å; F15-W19 PolarHBondContact O-N 3.3Å; W19-H21 PolarHBondContact O-N 3.49Å |
| 20 | D | 80.4 | Confident | 69.7 | Low | 143 Ų | 143 | 132.3 Ų | 132.3 | 77% | 0.765 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -14.9 | 175.5 | -95.5 | 6.9 | 0 | 0 | 0 | 114 | N16 | N16-D20 PolarHBondContact O-N 3.41Š|
| 21 | H | 75.8 | Confident | 70.1 | Confident | 165 Ų | 165 | 136 Ų | 136 | 76% | 0.764 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -7.4 | -178.3 | -88.1 | 80.4 | 0 | 0 | 0 | 115 | V17 W19 | V17-H21 PolarHBondContact O-ND1 3.42Å; W19-H21 PolarHBondContact O-N 3.49Å |
| 22 | F | 63.6 | Low | 70.8 | Confident | 234 Ų | 234 | 136.3 Ų | 136.3 | 100% | 1.026 | 64% | 0.636 | S | S | * | * | | | trans | -107.3 | 0 | 176.3 | -83.5 | -73 | 0 | 0 | 0 | 110.8 | L18 | L18-F22 WeakPolarHBondContact O-CD2 3.42Š|