| 1 | M | 51.7 | Low | 58.8 | Low | 245 Ų | 245 | 110.8 Ų | 110.8 | 100% | 1.207 | 64% | 0.642 | S | S | * | * | | | | 0 | 117.5 | 0 | -68.6 | 178.2 | -131.4 | 0 | 0 | 107.4 | S3 | M1-S3 PolarHBondContact O-N 3.22Š|
| 2 | I | 59.9 | Low | 58.7 | Low | 157 Ų | 157 | 111.1 Ų | 111.1 | 81% | 0.805 | 63% | 0.633 | S | S | * | * | | | trans | -74.8 | 115.4 | 170.4 | -84.1 | 169.6 | 0 | 0 | 0 | 106.5 | T4 | I2-T4 PolarHBondContact O-N 2.81Š|
| 3 | S | 58.7 | Low | 58.8 | Low | 82 Ų | 82 | 111.3 Ų | 111.3 | 57% | 0.573 | 63% | 0.631 | S | S | * | * | | | trans | -67.2 | 117.9 | 170.5 | -175.8 | 0 | 0 | 0 | 0 | 107.2 | M1 A5 P6 | M1-S3 PolarHBondContact O-N 3.22Å; S3-A5 WeakPolarHBondContact OG-CB 3.24Å; S3-P6 WeakPolarHBondContact O-CD 3.17Å |
| 4 | T | 62.6 | Low | 58.6 | Low | 97 Ų | 97 | 116.6 Ų | 116.6 | 60% | 0.595 | 64% | 0.636 | S | S | * | * | | | trans | -82.6 | -3.9 | 174.4 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | I2 P6 L7 Y8 | I2-T4 PolarHBondContact O-N 2.81Å; T4-P6 VanDerWaalsContact C-CD 3.41Å; T4-L7 HydrophobicContact CG2-CD1 4.44Å; T4-L7 WeakPolarHBondContact O-CB 3.35Å; T4-L7 PolarHBondContact O-N 3.47Å; T4-Y8 PolarHBondContact O-N 3.05Å |
| 5 | A | 61 | Low | 58.5 | Low | 59 Ų | 59 | 114.3 Ų | 114.3 | 49% | 0.488 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -49.6 | -44.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S3 L7 Y8 S9 | S3-A5 WeakPolarHBondContact OG-CB 3.24Å; A5-L7 VanDerWaalsContact C-N 3.28Å; A5-L7 PolarHBondContact O-N 2.9Å; A5-Y8 PolarHBondContact O-N 3.07Å; A5-S9 PolarHBondContact O-N 3.33Å; A5-S9 WeakPolarHBondContact O-CB 3.25Å; A5-S9 VanDerWaalsContact O-CB 3.32Å |
| 6 | P | 60 | Low | 58.7 | Low | 92 Ų | 92 | 111.5 Ų | 111.5 | 60% | 0.597 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.2 | -24.1 | 179 | 27.7 | -33.4 | 0 | 0 | 0 | 113.3 | S3 T4 Y8 | S3-P6 WeakPolarHBondContact O-CD 3.17Å; T4-P6 VanDerWaalsContact C-CD 3.41Å; P6-Y8 VanDerWaalsContact C-N 3.33Å |
| 7 | L | 60.8 | Low | 59 | Low | 130 Ų | 130 | 108.9 Ų | 108.9 | 68% | 0.681 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.7 | -29.9 | 177.6 | -60 | 174.9 | 0 | 0 | 0 | 111.7 | T4 A5 | T4-L7 HydrophobicContact CG2-CD1 4.44Å; T4-L7 WeakPolarHBondContact O-CB 3.35Å; T4-L7 PolarHBondContact O-N 3.47Å; A5-L7 VanDerWaalsContact C-N 3.28Å; A5-L7 PolarHBondContact O-N 2.9Å |
| 8 | Y | 55.7 | Low | 59.1 | Low | 147 Ų | 147 | 107.5 Ų | 107.5 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -96.2 | -20.1 | 179.3 | -150.3 | -119.6 | 0 | 0 | 0 | 113 | T4 A5 P6 G10 V11 H12 | T4-Y8 PolarHBondContact O-N 3.05Å; A5-Y8 PolarHBondContact O-N 3.07Å; P6-Y8 VanDerWaalsContact C-N 3.33Å; Y8-G10 VanDerWaalsContact C-N 3.33Å; Y8-G10 PolarHBondContact O-N 3.26Å; Y8-V11 PolarHBondContact O-N 3.47Å; Y8-H12 AromaticContact CD1-CD2 3.33Å; Y8-H12 VanDerWaalsContact OH-NE2 3.16Å; Y8-H12 PolarHBondContact OH-NE2 3.22Å; Y8-H12 VanDerWaalsContact O-N 3.16Å; Y8-H12 PolarHBondContact O-N 3.42Å; Y8-H12 AromaticContact CZ-NE2 3.22Å; Y8-H12 AromaticContact CZ-CD2 3.55Å; Y8-H12 WeakPolarHBondContact CE1-NE2 3.17Å; Y8-H12 AromaticContact CE1-NE2 2.84Å; Y8-H12 WeakPolarHBondContact CE1-CD2 3.14Å; Y8-H12 AromaticContact CE1-CD2 3.04Å; Y8-H12 AromaticContact CD1-NE2 3.66Å; Y8-H12 WeakPolarHBondContact CD1-CD2 3.02Å |
| 9 | S | 58.9 | Low | 59.3 | Low | 82 Ų | 82 | 109.9 Ų | 109.9 | 57% | 0.573 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.1 | -34.9 | 178.6 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | A5 | A5-S9 PolarHBondContact O-N 3.33Å; A5-S9 WeakPolarHBondContact O-CB 3.25Å; A5-S9 VanDerWaalsContact O-CB 3.32Å |
| 10 | G | 58.6 | Low | 59.5 | Low | 46 Ų | 46 | 106 Ų | 106 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -76.4 | -35 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y8 N13 W14 | Y8-G10 VanDerWaalsContact C-N 3.33Å; Y8-G10 PolarHBondContact O-N 3.26Å; G10-N13 PolarHBondContact O-N 3.45Å; G10-W14 WeakPolarHBondContact O-CB 3.39Å; G10-W14 PolarHBondContact O-N 2.93Å; G10-W14 VanDerWaalsContact O-N 3.11Å |
| 11 | V | 58.7 | Low | 59.8 | Low | 82 Ų | 82 | 110.7 Ų | 110.7 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.8 | -36.6 | -179.1 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | Y8 T15 | Y8-V11 PolarHBondContact O-N 3.47Å; V11-T15 PolarHBondContact O-OG1 3.18Å |
| 12 | H | 58.3 | Low | 60.5 | Low | 114 Ų | 114 | 107.3 Ų | 107.3 | 53% | 0.528 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -75.9 | -21.6 | 176.1 | -93.8 | -86.5 | 0 | 0 | 0 | 114.4 | Y8 | Y8-H12 AromaticContact CD1-CD2 3.33Å; Y8-H12 VanDerWaalsContact OH-NE2 3.16Å; Y8-H12 PolarHBondContact OH-NE2 3.22Å; Y8-H12 VanDerWaalsContact O-N 3.16Å; Y8-H12 PolarHBondContact O-N 3.42Å; Y8-H12 AromaticContact CZ-NE2 3.22Å; Y8-H12 AromaticContact CZ-CD2 3.55Å; Y8-H12 WeakPolarHBondContact CE1-NE2 3.17Å; Y8-H12 AromaticContact CE1-NE2 2.84Å; Y8-H12 WeakPolarHBondContact CE1-CD2 3.14Å; Y8-H12 AromaticContact CE1-CD2 3.04Å; Y8-H12 AromaticContact CD1-NE2 3.66Å; Y8-H12 WeakPolarHBondContact CD1-CD2 3.02Å |
| 13 | N | 59.8 | Low | 61 | Low | 114 Ų | 114 | 103.6 Ų | 103.6 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -86.9 | -37.9 | 179.8 | -169 | -104.4 | 0 | 0 | 0 | 112 | G10 T15 | G10-N13 PolarHBondContact O-N 3.45Å; N13-T15 PolarHBondContact O-N 3.48Å; N13-T15 VanDerWaalsContact C-N 3.29Å |
| 14 | W | 55.2 | Low | 61.4 | Low | 186 Ų | 186 | 102.8 Ų | 102.8 | 71% | 0.705 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.1 | -29.7 | -179.2 | 164.9 | -81.5 | 0 | 0 | 0 | 114.7 | G10 | G10-W14 WeakPolarHBondContact O-CB 3.39Å; G10-W14 PolarHBondContact O-N 2.93Å; G10-W14 VanDerWaalsContact O-N 3.11Å |
| 15 | T | 57.9 | Low | 61.8 | Low | 81 Ų | 81 | 101.8 Ų | 101.8 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | -21.3 | -169.7 | 39.1 | 0 | 0 | 0 | 0 | 114.6 | V11 N13 R19 | V11-T15 PolarHBondContact O-OG1 3.18Å; N13-T15 PolarHBondContact O-N 3.48Å; N13-T15 VanDerWaalsContact C-N 3.29Å; T15-R19 VanDerWaalsContact O-CB 3.25Å; T15-R19 WeakPolarHBondContact O-CB 3.41Å |
| 16 | S | 60.8 | Low | 62.1 | Low | 70 Ų | 70 | 105.3 Ų | 105.3 | 49% | 0.49 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | -62.2 | -173.6 | -152 | 0 | 0 | 0 | 0 | 111.5 | I20 | S16-I20 WeakPolarHBondContact O-CD1 3.21Å; S16-I20 WeakPolarHBondContact O-CG1 2.84Å; S16-I20 PolarHBondContact O-N 3.3Å |
| 17 | S | 63.7 | Low | 62.5 | Low | 67 Ų | 67 | 108.4 Ų | 108.4 | 47% | 0.469 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75 | -41.9 | -168.5 | -162.2 | 0 | 0 | 0 | 0 | 113.2 | R19 I20 R21 | S17-R19 VanDerWaalsContact C-N 3.35Å; S17-R19 PolarHBondContact O-N 3.11Å; S17-I20 PolarHBondContact O-N 3.42Å; S17-R21 WeakPolarHBondContact O-CG 3.15Å; S17-R21 PolarHBondContact O-N 3.41Å |
| 18 | D | 62.4 | Low | 62.5 | Low | 84 Ų | 84 | 113.8 Ų | 113.8 | 45% | 0.449 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.1 | -35.8 | 178.1 | -68.1 | -84.4 | 0 | 0 | 0 | 112.3 | R21 M22 | D18-R21 PolarHBondContact O-N 3.32Å; D18-M22 WeakPolarHBondContact O-CB 3.32Å; D18-M22 PolarHBondContact O-N 3.26Å |
| 19 | R | 61.9 | Low | 62.8 | Low | 153 Ų | 153 | 112.1 Ų | 112.1 | 58% | 0.577 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.1 | -42.8 | 176.3 | -177.4 | 178.2 | 174.9 | -101.8 | -1.8 | 112.1 | T15 S17 R21 M22 C23 | T15-R19 VanDerWaalsContact O-CB 3.25Å; T15-R19 WeakPolarHBondContact O-CB 3.41Å; S17-R19 VanDerWaalsContact C-N 3.35Å; S17-R19 PolarHBondContact O-N 3.11Å; R19-R21 VanDerWaalsContact C-N 3.34Å; R19-M22 PolarHBondContact O-N 3.33Å; R19-C23 VanDerWaalsContact O-CB 3.24Å; R19-C23 PolarHBondContact O-N 3.35Å; R19-C23 WeakPolarHBondContact O-CB 3.38Å |
| 20 | I | 64.1 | Low | 63 | Low | 31 Ų | 31 | 113.7 Ų | 113.7 | 16% | 0.159 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -60.7 | -46.4 | 178.2 | -70.4 | 163.5 | 0 | 0 | 0 | 109.9 | S16 S17 G24 I25 E27 | S16-I20 WeakPolarHBondContact O-CD1 3.21Å; S16-I20 WeakPolarHBondContact O-CG1 2.84Å; S16-I20 PolarHBondContact O-N 3.3Å; S17-I20 PolarHBondContact O-N 3.42Å; I20-G24 PolarHBondContact O-N 3.16Å; I20-G24 VanDerWaalsContact O-N 3.07Å; I20-I25 WeakPolarHBondContact CG2-O 3.04Å; I20-I25 PolarHBondContact O-N 3.16Å; I20-E27 HydrophobicContact CD1-CG 3.84Å; I20-E27 WeakPolarHBondContact CD1-OE2 3.33Å; I20-E27 HydrophobicContact CG1-CG 4.33Å; I20-E27 HydrophobicContact CG2-CG 4.2Å |
| 21 | R | 65.2 | Low | 63.3 | Low | 206 Ų | 206 | 117.4 Ų | 117.4 | 78% | 0.777 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.3 | -35.3 | 177.8 | -65.3 | 175.3 | 70.2 | 95 | 3.5 | 113 | S17 D18 R19 | S17-R21 WeakPolarHBondContact O-CG 3.15Å; S17-R21 PolarHBondContact O-N 3.41Å; D18-R21 PolarHBondContact O-N 3.32Å; R19-R21 VanDerWaalsContact C-N 3.34Å |
| 22 | M | 65.7 | Low | 63.5 | Low | 174 Ų | 174 | 119.5 Ų | 119.5 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -82.4 | -36.8 | -177.9 | -169.3 | 167.5 | -173.5 | 0 | 0 | 113.3 | D18 R19 G24 | D18-M22 WeakPolarHBondContact O-CB 3.32Å; D18-M22 PolarHBondContact O-N 3.26Å; R19-M22 PolarHBondContact O-N 3.33Å; M22-G24 VanDerWaalsContact C-N 3.31Å |
| 23 | C | 71.4 | Confident | 63.9 | Low | 79 Ų | 79 | 119.9 Ų | 119.9 | 53% | 0.534 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -87.4 | 1 | 176.5 | -65.6 | 0 | 0 | 0 | 0 | 112.9 | R19 I25 | R19-C23 VanDerWaalsContact O-CB 3.24Å; R19-C23 PolarHBondContact O-N 3.35Å; R19-C23 WeakPolarHBondContact O-CB 3.38Å; C23-I25 HydrophobicContact CB-CD1 3.72Å; C23-I25 HydrophobicContact CB-CG1 3.55Å; C23-I25 PolarHBondContact O-N 2.91Å |
| 24 | G | 66.6 | Low | 64.1 | Low | 65 Ų | 65 | 120.3 Ų | 120.3 | 67% | 0.67 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.5 | 25.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I20 M22 N26 | I20-G24 PolarHBondContact O-N 3.16Å; I20-G24 VanDerWaalsContact O-N 3.07Å; M22-G24 VanDerWaalsContact C-N 3.31Å; G24-N26 PolarHBondContact O-N 3.29Å |
| 25 | I | 71.1 | Confident | 64.8 | Low | 75 Ų | 75 | 115.6 Ų | 115.6 | 39% | 0.385 | 60% | 0.603 | S | S | . | * | | | trans | -78.8 | 110.6 | -177.8 | -42.3 | 178.9 | 0 | 0 | 0 | 105.7 | I20 C23 E27 | I20-I25 WeakPolarHBondContact CG2-O 3.04Å; I20-I25 PolarHBondContact O-N 3.16Å; C23-I25 HydrophobicContact CB-CD1 3.72Å; C23-I25 HydrophobicContact CB-CG1 3.55Å; C23-I25 PolarHBondContact O-N 2.91Å; I25-E27 PolarHBondContact O-N 3.37Å |
| 26 | N | 68.1 | Low | 65.3 | Low | 133 Ų | 133 | 118.2 Ų | 118.2 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | | | trans | -78.4 | 116.3 | 172.1 | -156.9 | -84.5 | 0 | 0 | 0 | 106.7 | G24 E28 | G24-N26 PolarHBondContact O-N 3.29Å; N26-E28 PolarHBondContact O-N 3.05Å |
| 27 | E | 66.6 | Low | 65.7 | Low | 157 Ų | 157 | 122.3 Ų | 122.3 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | | | trans | -75.5 | 63.9 | 172.5 | -69.1 | -171.3 | 114.8 | 0 | 0 | 109.9 | I20 I25 | I20-E27 HydrophobicContact CD1-CG 3.84Å; I20-E27 WeakPolarHBondContact CD1-OE2 3.33Å; I20-E27 HydrophobicContact CG1-CG 4.33Å; I20-E27 HydrophobicContact CG2-CG 4.2Å; I25-E27 PolarHBondContact O-N 3.37Å |
| 28 | E | 61.4 | Low | 65.9 | Low | 243 Ų | 243 | 127.3 Ų | 127.3 | 100% | 1.136 | 64% | 0.635 | S | S | * | * | | | trans | -94.5 | 0 | 164 | -179.3 | 158.7 | 67.8 | 0 | 0 | 110.8 | N26 | N26-E28 PolarHBondContact O-N 3.05Š|