| 1 | M | 51.4 | Low | 65.4 | Low | 213 Ų | 213 | 114.5 Ų | 114.5 | 100% | 1.049 | 61% | 0.609 | S | S | * | * | | | | 0 | -49.2 | 0 | -67.6 | 178.4 | -153.6 | 0 | 0 | 112.6 | A3 L4 T5 | M1-A3 PolarHBondContact O-N 2.99Å; M1-A3 VanDerWaalsContact C-N 3.34Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-T5 PolarHBondContact O-OG1 3.49Å |
| 2 | A | 59 | Low | 65.9 | Low | 70 Ų | 70 | 114.2 Ų | 114.2 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.6 | -31.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | L4 T5 L6 | A2-L4 PolarHBondContact O-N 3.22Å; A2-L4 VanDerWaalsContact C-N 3.32Å; A2-T5 PolarHBondContact O-N 3.37Å; A2-L6 WeakPolarHBondContact O-CG 3.1Å; A2-L6 PolarHBondContact O-N 2.73Å; A2-L6 VanDerWaalsContact O-N 3.07Å |
| 3 | A | 59.2 | Low | 66.2 | Low | 68 Ų | 68 | 114.8 Ų | 114.8 | 56% | 0.562 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.1 | -29 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1 R7 | M1-A3 PolarHBondContact O-N 2.99Å; M1-A3 VanDerWaalsContact C-N 3.34Å; A3-R7 WeakPolarHBondContact O-CG 3.48Å; A3-R7 PolarHBondContact O-N 3.41Å |
| 4 | L | 61.5 | Low | 66.4 | Low | 131 Ų | 131 | 113.2 Ų | 113.2 | 69% | 0.686 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76 | -39.9 | 177.4 | -65.3 | 173.9 | 0 | 0 | 0 | 110.8 | M1 A2 L6 R7 G8 | M1-L4 PolarHBondContact O-N 3.19Å; A2-L4 PolarHBondContact O-N 3.22Å; A2-L4 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 3.48Å; L4-R7 PolarHBondContact O-N 3.25Å; L4-G8 PolarHBondContact O-N 3.06Å |
| 5 | T | 65.2 | Low | 66.4 | Low | 90 Ų | 90 | 117.1 Ų | 117.1 | 55% | 0.552 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.5 | -43.6 | 174.7 | -44.5 | 0 | 0 | 0 | 0 | 111.2 | M1 A2 R7 G8 V9 | M1-T5 PolarHBondContact O-OG1 3.49Å; A2-T5 PolarHBondContact O-N 3.37Å; T5-R7 VanDerWaalsContact C-N 3.35Å; T5-R7 PolarHBondContact O-N 3.17Å; T5-G8 PolarHBondContact O-N 2.7Å; T5-V9 HydrophobicContact CG2-CG2 4.38Å; T5-V9 WeakPolarHBondContact O-CB 3.12Å; T5-V9 WeakPolarHBondContact O-CG2 3.08Å; T5-V9 PolarHBondContact O-N 2.67Å |
| 6 | L | 64.6 | Low | 66.2 | Low | 122 Ų | 122 | 115.1 Ų | 115.1 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.1 | -35.9 | 177.1 | -68.3 | 174.6 | 0 | 0 | 0 | 112.7 | A2 L4 R10 | A2-L6 WeakPolarHBondContact O-CG 3.1Å; A2-L6 PolarHBondContact O-N 2.73Å; A2-L6 VanDerWaalsContact O-N 3.07Å; L4-L6 PolarHBondContact O-N 3.48Å; L6-R10 WeakPolarHBondContact O-CB 3.14Å; L6-R10 PolarHBondContact O-N 3.48Å |
| 7 | R | 68.6 | Low | 65.9 | Low | 189 Ų | 189 | 113.6 Ų | 113.6 | 71% | 0.713 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.2 | -44.9 | 173.5 | -78.7 | 179.4 | 168.2 | -160.3 | -2.6 | 111.7 | A3 L4 T5 R10 E11 | A3-R7 WeakPolarHBondContact O-CG 3.48Å; A3-R7 PolarHBondContact O-N 3.41Å; L4-R7 PolarHBondContact O-N 3.25Å; T5-R7 VanDerWaalsContact C-N 3.35Å; T5-R7 PolarHBondContact O-N 3.17Å; R7-R10 PolarHBondContact O-N 2.93Å; R7-E11 PolarHBondContact O-N 3.4Å; R7-E11 WeakPolarHBondContact O-CG 3.17Å |
| 8 | G | 72.6 | Confident | 65.4 | Low | 36 Ų | 36 | 114.3 Ų | 114.3 | 37% | 0.371 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.6 | -46.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L4 T5 R10 E11 L12 | L4-G8 PolarHBondContact O-N 3.06Å; T5-G8 PolarHBondContact O-N 2.7Å; G8-R10 VanDerWaalsContact C-N 3.35Å; G8-R10 PolarHBondContact O-N 3.39Å; G8-E11 PolarHBondContact O-N 2.76Å; G8-L12 WeakPolarHBondContact O-CB 3.06Å; G8-L12 WeakPolarHBondContact O-CG 2.99Å; G8-L12 PolarHBondContact O-N 2.88Å |
| 9 | V | 72.3 | Confident | 65 | Low | 78 Ų | 78 | 111.8 Ų | 111.8 | 47% | 0.473 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.7 | -39.5 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | T5 L12 L13 | T5-V9 HydrophobicContact CG2-CG2 4.38Å; T5-V9 WeakPolarHBondContact O-CB 3.12Å; T5-V9 WeakPolarHBondContact O-CG2 3.08Å; T5-V9 PolarHBondContact O-N 2.67Å; V9-L12 PolarHBondContact O-N 2.86Å; V9-L13 PolarHBondContact O-N 2.79Å; V9-L13 WeakPolarHBondContact O-CB 3.25Å; V9-L13 VanDerWaalsContact O-CB 3.29Å |
| 10 | R | 71.3 | Confident | 64.5 | Low | 173 Ų | 173 | 110.4 Ų | 110.4 | 65% | 0.653 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.9 | -38.3 | 177.7 | -168.5 | 176.7 | -171.5 | -155.9 | 3.1 | 112.5 | L6 R7 G8 L13 K14 | L6-R10 WeakPolarHBondContact O-CB 3.14Å; L6-R10 PolarHBondContact O-N 3.48Å; R7-R10 PolarHBondContact O-N 2.93Å; G8-R10 VanDerWaalsContact C-N 3.35Å; G8-R10 PolarHBondContact O-N 3.39Å; R10-L13 PolarHBondContact O-N 3.49Å; R10-K14 WeakPolarHBondContact O-CG 3.29Å; R10-K14 PolarHBondContact O-N 3.02Å |
| 11 | E | 73.2 | Confident | 63.9 | Low | 90 Ų | 90 | 108.4 Ų | 108.4 | 42% | 0.421 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.6 | -40.1 | 174.8 | -73.3 | -58.9 | 119.9 | 0 | 0 | 112 | R7 G8 K14 R15 | R7-E11 PolarHBondContact O-N 3.4Å; R7-E11 WeakPolarHBondContact O-CG 3.17Å; G8-E11 PolarHBondContact O-N 2.76Å; E11-K14 PolarHBondContact O-N 3.33Å; E11-K14 IonicContact OE1-NZ 2.77Å; E11-K14 PolarHBondContact OE1-NZ 2.93Å; E11-R15 WeakPolarHBondContact O-CG 3.19Å; E11-R15 PolarHBondContact O-N 3.46Å |
| 12 | L | 72.3 | Confident | 64 | Low | 110 Ų | 110 | 102.2 Ų | 102.2 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.2 | -44.6 | 171.6 | -78.2 | 161.9 | 0 | 0 | 0 | 111.5 | G8 V9 K14 R15 V16 | G8-L12 WeakPolarHBondContact O-CB 3.06Å; G8-L12 WeakPolarHBondContact O-CG 2.99Å; G8-L12 PolarHBondContact O-N 2.88Å; V9-L12 PolarHBondContact O-N 2.86Å; L12-K14 PolarHBondContact O-N 3.36Å; L12-R15 PolarHBondContact O-N 3.21Å; L12-V16 PolarHBondContact O-N 2.98Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å |
| 13 | L | 68.9 | Low | 63.6 | Low | 122 Ų | 122 | 109.8 Ų | 109.8 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.8 | -40.5 | 178.8 | -153.8 | 92.9 | 0 | 0 | 0 | 111.3 | V9 R10 V16 D17 | V9-L13 PolarHBondContact O-N 2.79Å; V9-L13 WeakPolarHBondContact O-CB 3.25Å; V9-L13 VanDerWaalsContact O-CB 3.29Å; R10-L13 PolarHBondContact O-N 3.49Å; L13-V16 PolarHBondContact O-N 2.82Å; L13-D17 WeakPolarHBondContact O-CB 3.38Å; L13-D17 PolarHBondContact O-N 2.89Å |
| 14 | K | 69 | Low | 63.3 | Low | 93 Ų | 93 | 117.6 Ų | 117.6 | 40% | 0.404 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.5 | -40.7 | 173 | -76.9 | 176 | -171.8 | 169.2 | 0 | 112 | R10 E11 L12 D17 L18 | R10-K14 WeakPolarHBondContact O-CG 3.29Å; R10-K14 PolarHBondContact O-N 3.02Å; E11-K14 PolarHBondContact O-N 3.33Å; E11-K14 IonicContact OE1-NZ 2.77Å; E11-K14 PolarHBondContact OE1-NZ 2.93Å; L12-K14 PolarHBondContact O-N 3.36Å; K14-D17 PolarHBondContact O-N 2.81Å; K14-L18 VanDerWaalsContact O-CB 3.29Å; K14-L18 WeakPolarHBondContact O-CB 3.08Å; K14-L18 WeakPolarHBondContact O-CD1 3.21Å; K14-L18 PolarHBondContact O-N 3.22Å |
| 15 | R | 66.5 | Low | 62.8 | Low | 171 Ų | 171 | 119.2 Ų | 119.2 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -41.7 | 176.8 | -72 | 178.2 | -177 | -156.6 | 0.6 | 111.7 | E11 L12 A19 | E11-R15 WeakPolarHBondContact O-CG 3.19Å; E11-R15 PolarHBondContact O-N 3.46Å; L12-R15 PolarHBondContact O-N 3.21Å; R15-A19 WeakPolarHBondContact O-CB 3.33Å; R15-A19 PolarHBondContact O-N 3.07Å |
| 16 | V | 63.5 | Low | 62.3 | Low | 86 Ų | 86 | 126 Ų | 126 | 52% | 0.521 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68 | -40.4 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L12 L13 A19 T20 | L12-V16 PolarHBondContact O-N 2.98Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L13-V16 PolarHBondContact O-N 2.82Å; V16-A19 CarbonylContact O-C 3.49Å; V16-A19 PolarHBondContact O-N 3.4Å; V16-T20 WeakPolarHBondContact O-CB 3.41Å; V16-T20 PolarHBondContact O-N 3.49Å; V16-T20 PolarHBondContact O-OG1 3.3Å |
| 17 | D | 60.6 | Low | 61.6 | Low | 90 Ų | 90 | 131.1 Ų | 131.1 | 48% | 0.481 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63 | -50.9 | 173.7 | -173.6 | -103.8 | 0 | 0 | 0 | 110.1 | L13 K14 A19 T20 V21 | L13-D17 WeakPolarHBondContact O-CB 3.38Å; L13-D17 PolarHBondContact O-N 2.89Å; K14-D17 PolarHBondContact O-N 2.81Å; D17-A19 PolarHBondContact O-N 2.77Å; D17-A19 VanDerWaalsContact O-N 3.17Å; D17-T20 CarbonylContact O-C 3.59Å; D17-T20 PolarHBondContact O-N 3.49Å; D17-V21 PolarHBondContact O-N 2.92Å; D17-V21 WeakPolarHBondContact O-CG2 3.4Å; D17-V21 WeakPolarHBondContact O-CA 3.46Å; D17-V21 WeakPolarHBondContact O-CB 3.29Å |
| 18 | L | 57.1 | Low | 60.6 | Low | 126 Ų | 126 | 131.8 Ų | 131.8 | 66% | 0.66 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.5 | -20.4 | 174 | -93 | 74.3 | 0 | 0 | 0 | 114.3 | K14 P22 | K14-L18 VanDerWaalsContact O-CB 3.29Å; K14-L18 WeakPolarHBondContact O-CB 3.08Å; K14-L18 WeakPolarHBondContact O-CD1 3.21Å; K14-L18 PolarHBondContact O-N 3.22Å; L18-P22 WeakPolarHBondContact O-CD 3.22Å; L18-P22 WeakPolarHBondContact O-CG 3.26Å |
| 19 | A | 57.9 | Low | 59.4 | Low | 66 Ų | 66 | 138 Ų | 138 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -92.4 | -20.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R15 V16 D17 P22 | R15-A19 WeakPolarHBondContact O-CB 3.33Å; R15-A19 PolarHBondContact O-N 3.07Å; V16-A19 CarbonylContact O-C 3.49Å; V16-A19 PolarHBondContact O-N 3.4Å; D17-A19 PolarHBondContact O-N 2.77Å; D17-A19 VanDerWaalsContact O-N 3.17Å; A19-P22 WeakPolarHBondContact O-CD 3.47Å; A19-P22 VanDerWaalsContact O-CG 3.25Å; A19-P22 WeakPolarHBondContact O-CG 3.38Å |
| 20 | T | 55.2 | Low | 58.4 | Low | 83 Ų | 83 | 144.3 Ų | 144.3 | 51% | 0.509 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -92.1 | -37.4 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | V16 D17 P22 R23 | V16-T20 WeakPolarHBondContact O-CB 3.41Å; V16-T20 PolarHBondContact O-N 3.49Å; V16-T20 PolarHBondContact O-OG1 3.3Å; D17-T20 CarbonylContact O-C 3.59Å; D17-T20 PolarHBondContact O-N 3.49Å; T20-P22 VanDerWaalsContact N-CD 3.32Å; T20-R23 PolarHBondContact O-N 3.24Å |
| 21 | V | 52.1 | Low | 56.8 | Low | 70 Ų | 70 | 145.7 Ų | 145.7 | 42% | 0.424 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -68.2 | -28 | 173.4 | 174.8 | 0 | 0 | 0 | 0 | 115.2 | D17 R23 R24 H25 | D17-V21 PolarHBondContact O-N 2.92Å; D17-V21 WeakPolarHBondContact O-CG2 3.4Å; D17-V21 WeakPolarHBondContact O-CA 3.46Å; D17-V21 WeakPolarHBondContact O-CB 3.29Å; V21-R23 PolarHBondContact O-N 2.86Å; V21-R24 PolarHBondContact O-N 3.38Å; V21-H25 PolarHBondContact O-N 3.44Å |
| 22 | P | 52.4 | Low | 55.7 | Low | 82 Ų | 82 | 146.2 Ų | 146.2 | 53% | 0.532 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -74.5 | -12.4 | 177.3 | 34.9 | -25.7 | 0 | 0 | 0 | 110.6 | L18 A19 T20 | L18-P22 WeakPolarHBondContact O-CD 3.22Å; L18-P22 WeakPolarHBondContact O-CG 3.26Å; A19-P22 WeakPolarHBondContact O-CD 3.47Å; A19-P22 VanDerWaalsContact O-CG 3.25Å; A19-P22 WeakPolarHBondContact O-CG 3.38Å; T20-P22 VanDerWaalsContact N-CD 3.32Å |
| 23 | R | 52.4 | Low | 54.5 | Low | 229 Ų | 229 | 147.7 Ų | 147.7 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -90.7 | -26.1 | -179.2 | -146.4 | -179.3 | -167.8 | 175 | 4.3 | 113.3 | T20 V21 | T20-R23 PolarHBondContact O-N 3.24Å; V21-R23 PolarHBondContact O-N 2.86Å |
| 24 | R | 51.6 | Low | 53.3 | Low | 232 Ų | 232 | 148.7 Ų | 148.7 | 88% | 0.875 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -100.9 | -10.2 | 179.2 | -75.8 | -173.8 | 174.9 | 179.2 | -0.6 | 114.4 | V21 | V21-R24 PolarHBondContact O-N 3.38Å |
| 25 | H | 51.9 | Low | 52 | Low | 166 Ų | 166 | 149.6 Ų | 149.6 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -118.2 | 49.3 | -178.6 | -151.7 | 87.5 | 0 | 0 | 0 | 114.1 | V21 | V21-H25 PolarHBondContact O-N 3.44Š|
| 26 | R | 53.5 | Low | 51 | Low | 231 Ų | 231 | 149.8 Ų | 149.8 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -143.5 | 35.1 | 163.5 | -140.5 | 178.8 | -172.2 | -178.3 | 2 | 115.1 | | |
| 27 | Y | 50.1 | Low | 49.8 | Very low | 231 Ų | 231 | 153 Ų | 153 | 91% | 0.906 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -125.6 | 48.4 | 168 | -130.3 | -85.1 | 0 | 0 | 0 | 112.7 | | |
| 28 | K | 48.6 | Very low | 48.8 | Very low | 203 Ų | 203 | 151 Ų | 151 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | | | trans | -162.7 | 58.5 | 158.7 | -137.8 | -172.9 | -173.6 | -162.7 | 0 | 114 | | |
| 29 | K | 46.1 | Very low | 48.2 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | | | trans | -136.3 | 107.5 | 148.7 | -83.4 | -162.5 | 177.4 | -176.2 | 0 | 108.5 | W31 | K29-W31 HydrophobicContact CD-CZ2 4.34Å; K29-W31 PolarHBondContact O-N 3.36Å |
| 30 | K | 51.5 | Low | 47.3 | Very low | 212 Ų | 212 | 155.4 Ų | 155.4 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | | | trans | -45 | 106.6 | 151.9 | -98.9 | 174.9 | 167.8 | -174.2 | 0 | 106.9 | | |
| 31 | W | 38.3 | Very low | 46.6 | Very low | 201 Ų | 201 | 162.8 Ų | 162.8 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | | | trans | -114.3 | 109.8 | 157.5 | -75.7 | 93.6 | 0 | 0 | 0 | 106.2 | K29 | K29-W31 HydrophobicContact CD-CZ2 4.34Å; K29-W31 PolarHBondContact O-N 3.36Å |
| 32 | P | 49.2 | Very low | 46 | Very low | 101 Ų | 101 | 162.7 Ų | 162.7 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | | | trans | -70.4 | 133.2 | 175 | 30.6 | -29.9 | 0 | 0 | 0 | 108.2 | L34 | P32-L34 PolarHBondContact O-N 3.26Š|
| 33 | V | 47.8 | Very low | 45.5 | Very low | 141 Ų | 141 | 167.6 Ų | 167.6 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 44.9 | 60.8 | 145.5 | -148.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 34 | L | 44.2 | Very low | 45.1 | Very low | 144 Ų | 144 | 163.5 Ų | 163.5 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | | | trans | -149.8 | 45.7 | 161.6 | -148.1 | 79 | 0 | 0 | 0 | 112.4 | P32 | P32-L34 PolarHBondContact O-N 3.26Š|
| 35 | S | 41.8 | Very low | 44.5 | Very low | 111 Ų | 111 | 155.9 Ų | 155.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -104.9 | 11.7 | 175 | -65.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 36 | L | 44.3 | Very low | 44.2 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -115.4 | -6.9 | 178.6 | -94.4 | 144.2 | 0 | 0 | 0 | 115 | | |
| 37 | L | 39.8 | Very low | 43.4 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -118.9 | 2.7 | 179.4 | -158 | 60.9 | 0 | 0 | 0 | 114.1 | | |
| 38 | G | 39.2 | Very low | 43.1 | Very low | 49 Ų | 49 | 142.3 Ų | 142.3 | 51% | 0.505 | 76% | 0.761 | S | S | . | * | S | Bend | trans | -103.4 | -8.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | H40 | G38-H40 VanDerWaalsContact C-N 3.32Å; G38-H40 PolarHBondContact O-N 2.97Å |
| 39 | C | 44.2 | Very low | 42.9 | Very low | 120 Ų | 120 | 139 Ų | 139 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -3.3 | -177.5 | -69.9 | 0 | 0 | 0 | 0 | 114 | | |
| 40 | H | 39.7 | Very low | 42.5 | Very low | 165 Ų | 165 | 134 Ų | 134 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -1.2 | -178.3 | -152.6 | -81.3 | 0 | 0 | 0 | 113.9 | G38 | G38-H40 VanDerWaalsContact C-N 3.32Å; G38-H40 PolarHBondContact O-N 2.97Å |
| 41 | R | 39.4 | Very low | 41.8 | Very low | 237 Ų | 237 | 132.8 Ų | 132.8 | 89% | 0.894 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -131.6 | 26 | -176.7 | -149.2 | 175.7 | -176.3 | -174.9 | 0.6 | 113.7 | | |
| 42 | A | 40.3 | Very low | 41.8 | Very low | 69 Ų | 69 | 126.9 Ų | 126.9 | 57% | 0.57 | 74% | 0.743 | S | S | * | * | | | trans | -134 | 56.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | I44 | A42-I44 PolarHBondContact O-N 3.5Š|
| 43 | Q | 41.2 | Very low | 41.5 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | -68.2 | 65.7 | 155 | -157.4 | 173.9 | 93.9 | 0 | 0 | 106.5 | | |
| 44 | I | 43.7 | Very low | 41 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | | | trans | -126.8 | 120.9 | 171.1 | -62.6 | 176.1 | 0 | 0 | 0 | 104.5 | A42 | A42-I44 PolarHBondContact O-N 3.5Š|
| 45 | P | 39.7 | Very low | 40.8 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 47% | 0.474 | 77% | 0.772 | S | S | . | * | | | trans | -82 | 145.6 | -135.2 | 32.2 | -36.5 | 0 | 0 | 0 | 111.6 | C47 S48 | P45-C47 HydrophobicContact CB-CB 3.97Å; P45-C47 PolarHBondContact O-N 3.39Å; P45-S48 VanDerWaalsContact CG-OG 3.26Å; P45-S48 WeakPolarHBondContact CG-OG 3.46Å |
| 46 | C | 45.3 | Very low | 40.8 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 98% | 0.98 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 20.7 | 153.8 | -59.9 | 0 | 0 | 0 | 0 | 113 | | |
| 47 | C | 37.6 | Very low | 40.6 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.2 | 16.2 | -169.7 | -56.2 | 0 | 0 | 0 | 0 | 115 | P45 | P45-C47 HydrophobicContact CB-CB 3.97Å; P45-C47 PolarHBondContact O-N 3.39Å |
| 48 | S | 42.3 | Very low | 40.6 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | -138.6 | 77.8 | 178.2 | -57 | 0 | 0 | 0 | 0 | 113.7 | P45 | P45-S48 VanDerWaalsContact CG-OG 3.26Å; P45-S48 WeakPolarHBondContact CG-OG 3.46Å |
| 49 | T | 45.7 | Very low | 40.7 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | | -156.9 | 94.5 | 127.6 | -60.2 | 0 | 0 | 0 | 0 | 106 | F51 | T49-F51 PolarHBondContact O-N 3.29Š|
| 50 | G | 38 | Very low | 40.5 | Very low | 61 Ų | 61 | 142.5 Ų | 142.5 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | | | trans | -56.1 | 119.1 | 163 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 51 | F | 36.7 | Very low | 40.6 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 82% | 0.82 | 78% | 0.776 | S | S | * | * | | | | -94.8 | 85.8 | 125.1 | -100.9 | -98.9 | 0 | 0 | 0 | 102.8 | T49 | T49-F51 PolarHBondContact O-N 3.29Š|
| 52 | A | 38.7 | Very low | 40.6 | Very low | 76 Ų | 76 | 133.5 Ų | 133.5 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | | | | 45.4 | 84.8 | 52.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 53 | E | 42 | Very low | 40.7 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | 33.2 | 94.9 | 154.7 | -53.7 | -151.6 | 101.2 | 0 | 0 | 116.9 | | |
| 54 | F | 37.1 | Very low | 40.6 | Very low | 281 Ų | 281 | 134.7 Ų | 134.7 | 100% | 1.232 | 78% | 0.776 | S | S | * | * | | | trans | -162.7 | 0 | 140.8 | -106.7 | -73.3 | 0 | 0 | 0 | 110.5 | | |