| 1 | G | 46.1 | Very low | 54.2 | Low | 134 Ų | 134 | 135.5 Ų | 135.5 | 100% | 1.381 | 75% | 0.75 | S | S | * | * | | | | 0 | 137.7 | 0 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 2 | V | 49.1 | Very low | 54.6 | Low | 114 Ų | 114 | 133.3 Ų | 133.3 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | | | trans | -89.1 | 118.7 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 107.4 | I4 | V2-I4 HydrophobicContact CG1-CG1 3.98Å; V2-I4 HydrophobicContact CG1-CD1 4.5Å |
| 3 | W | 52.9 | Low | 54.7 | Low | 216 Ų | 216 | 129.6 Ų | 129.6 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | | | trans | -83.5 | 131.7 | 172.2 | -172.8 | 83.1 | 0 | 0 | 0 | 109.1 | P5 | W3-P5 HydrophobicContact CE3-CG 4.32Å; W3-P5 HydrophobicContact CE3-CB 4.39Å; W3-P5 HydrophobicContact CZ3-CG 3.71Å; W3-P5 HydrophobicContact CZ3-CB 3.56Å; W3-P5 HydrophobicContact CZ2-CB 4.42Å; W3-P5 HydrophobicContact CH2-CG 4.27Å; W3-P5 HydrophobicContact CH2-CB 3.58Å |
| 4 | I | 55.7 | Low | 54.9 | Low | 133 Ų | 133 | 125.9 Ų | 125.9 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | | | trans | -124.4 | 110.8 | -176.9 | -56.3 | 175.2 | 0 | 0 | 0 | 106.7 | V2 | V2-I4 HydrophobicContact CG1-CG1 3.98Å; V2-I4 HydrophobicContact CG1-CD1 4.5Å |
| 5 | P | 60.7 | Low | 55.4 | Low | 39 Ų | 39 | 120.1 Ų | 120.1 | 25% | 0.253 | 68% | 0.677 | S | S | . | * | | | trans | -67.8 | 135.1 | 174.5 | 22.8 | -26.8 | 0 | 0 | 0 | 110 | W3 G7 V10 | W3-P5 HydrophobicContact CE3-CG 4.32Å; W3-P5 HydrophobicContact CE3-CB 4.39Å; W3-P5 HydrophobicContact CZ3-CG 3.71Å; W3-P5 HydrophobicContact CZ3-CB 3.56Å; W3-P5 HydrophobicContact CZ2-CB 4.42Å; W3-P5 HydrophobicContact CH2-CG 4.27Å; W3-P5 HydrophobicContact CH2-CB 3.58Å; P5-G7 PolarHBondContact O-N 3.34Å; P5-V10 HydrophobicContact CG-CB 3.89Å; P5-V10 HydrophobicContact CG-CG2 4.01Å |
| 6 | E | 59 | Low | 55.9 | Low | 206 Ų | 206 | 118.9 Ų | 118.9 | 96% | 0.963 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -70.9 | 117.6 | 173.2 | -77.2 | -171.9 | 78.3 | 0 | 0 | 110 | | |
| 7 | G | 58.5 | Low | 56.2 | Low | 77 Ų | 77 | 119.7 Ų | 119.7 | 79% | 0.794 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 135.2 | -29.6 | 159 | 0 | 0 | 0 | 0 | 0 | 116.6 | P5 | P5-G7 PolarHBondContact O-N 3.34Š|
| 8 | E | 53.1 | Low | 56.5 | Low | 169 Ų | 169 | 120.3 Ų | 120.3 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -150.2 | 150.3 | -179.8 | -153 | 140.1 | 86.6 | 0 | 0 | 110.6 | V10 | E8-V10 PolarHBondContact O-N 2.64Š|
| 9 | K | 52.8 | Low | 56.8 | Low | 188 Ų | 188 | 120.2 Ų | 120.2 | 82% | 0.817 | 66% | 0.657 | S | S | * | * | | | trans | -63.1 | 69.7 | 176.9 | -69.3 | 170 | -178.5 | 167.3 | 0 | 109.8 | K11 | K9-K11 PolarHBondContact O-N 3.18Š|
| 10 | V | 53.9 | Low | 56.9 | Low | 75 Ų | 75 | 124.2 Ų | 124.2 | 46% | 0.455 | 66% | 0.662 | S | S | . | * | | | trans | -74.7 | 79.7 | 168.9 | -174.8 | 0 | 0 | 0 | 0 | 104.8 | P5 E8 I12 | P5-V10 HydrophobicContact CG-CB 3.89Å; P5-V10 HydrophobicContact CG-CG2 4.01Å; E8-V10 PolarHBondContact O-N 2.64Å; V10-I12 PolarHBondContact O-N 2.79Å |
| 11 | K | 54.5 | Low | 56.9 | Low | 139 Ų | 139 | 124.3 Ų | 124.3 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | | | trans | -52.2 | 125.1 | -178.9 | -66.7 | 173 | -179.4 | 173.5 | 0 | 106.2 | K9 P13 V14 | K9-K11 PolarHBondContact O-N 3.18Å; K11-P13 HydrophobicContact CB-CG 3.56Å; K11-P13 CarbonylContact O-C 3.53Å; K11-P13 WeakPolarHBondContact O-CD 3.33Å; K11-V14 PolarHBondContact O-N 2.7Å; K11-V14 WeakPolarHBondContact O-CB 3.26Å |
| 12 | I | 59.1 | Low | 57.1 | Low | 110 Ų | 110 | 119.7 Ų | 119.7 | 56% | 0.564 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -29.1 | -40.9 | 167.9 | -61.3 | 167.9 | 0 | 0 | 0 | 113.9 | V10 V14 A15 I16 | V10-I12 PolarHBondContact O-N 2.79Å; I12-V14 PolarHBondContact O-N 2.81Å; I12-A15 PolarHBondContact O-N 2.79Å; I12-I16 PolarHBondContact O-N 2.88Å; I12-I16 WeakPolarHBondContact O-CG1 3.48Å; I12-I16 VanDerWaalsContact O-CG1 3.3Å; I12-I16 WeakPolarHBondContact O-CB 3.36Å; I12-I16 HydrophobicContact CG2-CG1 4.16Å; I12-I16 HydrophobicContact CG2-CD1 3.52Å |
| 13 | P | 55.7 | Low | 57.1 | Low | 85 Ų | 85 | 119.2 Ų | 119.2 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59.8 | -36.7 | 171.7 | 20.2 | -35.7 | 0 | 0 | 0 | 116.4 | K11 K17 | K11-P13 HydrophobicContact CB-CG 3.56Å; K11-P13 CarbonylContact O-C 3.53Å; K11-P13 WeakPolarHBondContact O-CD 3.33Å; P13-K17 WeakPolarHBondContact O-CA 3.49Å; P13-K17 WeakPolarHBondContact O-CB 3.15Å; P13-K17 PolarHBondContact O-N 3.4Å |
| 14 | V | 58 | Low | 56.9 | Low | 77 Ų | 77 | 112.4 Ų | 112.4 | 47% | 0.467 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.9 | -44.1 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | K11 I12 K17 E18 | K11-V14 PolarHBondContact O-N 2.7Å; K11-V14 WeakPolarHBondContact O-CB 3.26Å; I12-V14 PolarHBondContact O-N 2.81Å; V14-K17 PolarHBondContact O-N 3.37Å; V14-E18 WeakPolarHBondContact O-CB 3.45Å; V14-E18 PolarHBondContact O-N 3.39Å |
| 15 | A | 61.8 | Low | 56.6 | Low | 40 Ų | 40 | 112.3 Ų | 112.3 | 33% | 0.331 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I12 L19 | I12-A15 PolarHBondContact O-N 2.79Å; A15-L19 PolarHBondContact O-N 3.47Å; A15-L19 WeakPolarHBondContact O-CG 3.46Å; A15-L19 WeakPolarHBondContact O-CB 2.95Å; A15-L19 VanDerWaalsContact O-CB 3.26Å; A15-L19 WeakPolarHBondContact O-CD1 3.09Å |
| 16 | I | 63.3 | Low | 56.2 | Low | 101 Ų | 101 | 119.7 Ų | 119.7 | 52% | 0.518 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.8 | -37.6 | 174.8 | -67.2 | 173.2 | 0 | 0 | 0 | 111 | I12 R20 | I12-I16 PolarHBondContact O-N 2.88Å; I12-I16 WeakPolarHBondContact O-CG1 3.48Å; I12-I16 VanDerWaalsContact O-CG1 3.3Å; I12-I16 WeakPolarHBondContact O-CB 3.36Å; I12-I16 HydrophobicContact CG2-CG1 4.16Å; I12-I16 HydrophobicContact CG2-CD1 3.52Å; I16-R20 WeakPolarHBondContact O-CB 3.48Å; I16-R20 PolarHBondContact O-N 2.8Å |
| 17 | K | 61.4 | Low | 55.8 | Low | 132 Ų | 132 | 112.5 Ų | 112.5 | 57% | 0.574 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.3 | -49.2 | 174.7 | 176.3 | 174.3 | 176.2 | -176.9 | 0 | 110.2 | P13 V14 R20 E21 | P13-K17 WeakPolarHBondContact O-CA 3.49Å; P13-K17 WeakPolarHBondContact O-CB 3.15Å; P13-K17 PolarHBondContact O-N 3.4Å; V14-K17 PolarHBondContact O-N 3.37Å; K17-R20 PolarHBondContact O-N 3.1Å; K17-E21 WeakPolarHBondContact O-CG 3.3Å; K17-E21 PolarHBondContact O-N 3.28Å; K17-E21 VanDerWaalsContact O-CG 3.28Å; K17-E21 WeakPolarHBondContact O-CB 3.24Å; K17-E21 WeakPolarHBondContact CG-OE2 3.21Å; K17-E21 WeakPolarHBondContact CE-OE2 3.37Å |
| 18 | E | 61.4 | Low | 55 | Low | 131 Ų | 131 | 115.1 Ų | 115.1 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.5 | -47.4 | 173.9 | -97.1 | -146.7 | 81 | 0 | 0 | 112.1 | V14 R20 E21 A22 | V14-E18 WeakPolarHBondContact O-CB 3.45Å; V14-E18 PolarHBondContact O-N 3.39Å; E18-R20 VanDerWaalsContact C-N 3.3Å; E18-R20 PolarHBondContact O-N 3.26Å; E18-E21 CarbonylContact O-C 3.59Å; E18-E21 PolarHBondContact O-N 2.98Å; E18-A22 WeakPolarHBondContact O-CA 3.34Å; E18-A22 WeakPolarHBondContact O-CB 3.28Å; E18-A22 PolarHBondContact O-N 2.78Å |
| 19 | L | 61.7 | Low | 54.6 | Low | 118 Ų | 118 | 116 Ų | 116 | 62% | 0.618 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.4 | -40 | 177.4 | -74.7 | 168.8 | 0 | 0 | 0 | 111.6 | A15 T23 | A15-L19 PolarHBondContact O-N 3.47Å; A15-L19 WeakPolarHBondContact O-CG 3.46Å; A15-L19 WeakPolarHBondContact O-CB 2.95Å; A15-L19 VanDerWaalsContact O-CB 3.26Å; A15-L19 WeakPolarHBondContact O-CD1 3.09Å; L19-T23 WeakPolarHBondContact O-CB 2.94Å; L19-T23 PolarHBondContact O-OG1 3.23Å; L19-T23 WeakPolarHBondContact O-CG2 3.09Å; L19-T23 PolarHBondContact O-N 2.7Å |
| 20 | R | 58.9 | Low | 54.4 | Low | 199 Ų | 199 | 115.4 Ų | 115.4 | 75% | 0.751 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.4 | -36.8 | 177.6 | -169.8 | 172.1 | -179.2 | -83.9 | -0.1 | 112 | I16 K17 E18 T23 | I16-R20 WeakPolarHBondContact O-CB 3.48Å; I16-R20 PolarHBondContact O-N 2.8Å; K17-R20 PolarHBondContact O-N 3.1Å; E18-R20 VanDerWaalsContact C-N 3.3Å; E18-R20 PolarHBondContact O-N 3.26Å; R20-T23 VanDerWaalsContact C-OG1 3.28Å; R20-T23 VanDerWaalsContact CA-OG1 3.24Å; R20-T23 WeakPolarHBondContact CA-OG1 3.15Å; R20-T23 PolarHBondContact O-OG1 2.84Å |
| 21 | E | 57.2 | Low | 54.4 | Low | 128 Ų | 128 | 118.9 Ų | 118.9 | 60% | 0.598 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.3 | -38.3 | 175 | -71.3 | -171.4 | 92.6 | 0 | 0 | 111.8 | K17 E18 T23 S24 | K17-E21 WeakPolarHBondContact O-CG 3.3Å; K17-E21 PolarHBondContact O-N 3.28Å; K17-E21 VanDerWaalsContact O-CG 3.28Å; K17-E21 WeakPolarHBondContact O-CB 3.24Å; K17-E21 WeakPolarHBondContact CG-OE2 3.21Å; K17-E21 WeakPolarHBondContact CE-OE2 3.37Å; E18-E21 CarbonylContact O-C 3.59Å; E18-E21 PolarHBondContact O-N 2.98Å; E21-T23 VanDerWaalsContact C-N 3.34Å; E21-S24 PolarHBondContact O-N 3.37Å; E21-S24 VanDerWaalsContact O-N 3.16Å; E21-S24 WeakPolarHBondContact O-CB 3.41Å |
| 22 | A | 51.3 | Low | 54 | Low | 36 Ų | 36 | 119.9 Ų | 119.9 | 30% | 0.298 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -74.8 | -19.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E18 S24 | E18-A22 WeakPolarHBondContact O-CA 3.34Å; E18-A22 WeakPolarHBondContact O-CB 3.28Å; E18-A22 PolarHBondContact O-N 2.78Å; A22-S24 PolarHBondContact O-N 2.8Å |
| 23 | T | 49.2 | Very low | 53.1 | Low | 104 Ų | 104 | 125 Ų | 125 | 64% | 0.638 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 11.3 | 165.5 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | L19 R20 E21 P25 | L19-T23 WeakPolarHBondContact O-CB 2.94Å; L19-T23 PolarHBondContact O-OG1 3.23Å; L19-T23 WeakPolarHBondContact O-CG2 3.09Å; L19-T23 PolarHBondContact O-N 2.7Å; R20-T23 VanDerWaalsContact C-OG1 3.28Å; R20-T23 VanDerWaalsContact CA-OG1 3.24Å; R20-T23 WeakPolarHBondContact CA-OG1 3.15Å; R20-T23 PolarHBondContact O-OG1 2.84Å; E21-T23 VanDerWaalsContact C-N 3.34Å; T23-P25 WeakPolarHBondContact O-CD 3.48Å |
| 24 | S | 47.8 | Very low | 53 | Low | 74 Ų | 74 | 127 Ų | 127 | 52% | 0.517 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -66.4 | 118 | 146.3 | -168.6 | 0 | 0 | 0 | 0 | 107 | E21 A22 K26 A27 | E21-S24 PolarHBondContact O-N 3.37Å; E21-S24 VanDerWaalsContact O-N 3.16Å; E21-S24 WeakPolarHBondContact O-CB 3.41Å; A22-S24 PolarHBondContact O-N 2.8Å; S24-K26 PolarHBondContact O-N 3.29Å; S24-A27 PolarHBondContact O-N 2.83Å |
| 25 | P | 49.5 | Very low | 52.7 | Low | 131 Ų | 131 | 129.6 Ų | 129.6 | 85% | 0.851 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 8 | -165.5 | 23 | -34.4 | 0 | 0 | 0 | 116.3 | T23 | T23-P25 WeakPolarHBondContact O-CD 3.48Š|
| 26 | K | 52.3 | Low | 52.2 | Low | 193 Ų | 193 | 134.6 Ų | 134.6 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -19.7 | -179.6 | -90.6 | -178.1 | 170.7 | -177.1 | 0 | 115.3 | S24 | S24-K26 PolarHBondContact O-N 3.29Š|
| 27 | A | 50 | Low | 51.6 | Low | 55 Ų | 55 | 136.5 Ų | 136.5 | 46% | 0.455 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -93.6 | -11 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S24 K29 | S24-A27 PolarHBondContact O-N 2.83Å; A27-K29 PolarHBondContact O-N 2.66Å; A27-K29 VanDerWaalsContact O-N 3.1Å |
| 28 | N | 43.1 | Very low | 50.9 | Low | 132 Ų | 132 | 136.8 Ų | 136.8 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 10.9 | -176.8 | -153.1 | 64.3 | 0 | 0 | 0 | 114.6 | | |
| 29 | K | 44.2 | Very low | 50.2 | Low | 188 Ų | 188 | 137.2 Ų | 137.2 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -13.1 | -177.6 | -114.4 | -179.2 | -177.8 | 173.8 | 0 | 114.5 | A27 | A27-K29 PolarHBondContact O-N 2.66Å; A27-K29 VanDerWaalsContact O-N 3.1Å |
| 30 | E | 47.9 | Very low | 49.4 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -93.3 | -14.2 | 179.5 | -116.1 | 179.4 | 87.8 | 0 | 0 | 113.3 | L32 | E30-L32 PolarHBondContact O-N 3.16Š|
| 31 | I | 53.3 | Low | 48.7 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 3.9 | 173.2 | -46.1 | -65 | 0 | 0 | 0 | 111.3 | | |
| 32 | L | 47.8 | Very low | 48 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | 25.2 | 178.7 | -136 | 103.9 | 0 | 0 | 0 | 113 | E30 | E30-L32 PolarHBondContact O-N 3.16Š|
| 33 | D | 39.7 | Very low | 47.7 | Very low | 217 Ų | 217 | 143.4 Ų | 143.4 | 100% | 1.16 | 76% | 0.763 | S | S | * | * | | | trans | -116.2 | 0 | 156.6 | -163.8 | -111.8 | 0 | 0 | 0 | 109.1 | | |