| 1 | M | 39.9 | Very low | 52.1 | Low | 238 Ų | 238 | 130.2 Ų | 130.2 | 100% | 1.172 | 73% | 0.734 | S | S | * | * | | | | 0 | 125.8 | 0 | -67.2 | 171.4 | -179 | 0 | 0 | 106.9 | | |
| 2 | K | 47.1 | Very low | 52.8 | Low | 218 Ų | 218 | 126.3 Ų | 126.3 | 95% | 0.948 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 128.5 | -179.1 | -78.7 | 171.2 | 174.7 | 165.7 | 0 | 108.6 | | |
| 3 | C | 45.7 | Very low | 53.7 | Low | 101 Ų | 101 | 127.2 Ų | 127.2 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 130.4 | -179.5 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | F5 | C3-F5 HydrophobicContact CB-CZ 4.47Å; C3-F5 HydrophobicContact CB-CE2 4.1Å |
| 4 | V | 54.5 | Low | 54.2 | Low | 129 Ų | 129 | 126.9 Ų | 126.9 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 123.2 | 174 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | V6 | V4-V6 HydrophobicContact CG1-CG1 4.46Š|
| 5 | F | 46.8 | Very low | 54.6 | Low | 192 Ų | 192 | 125.7 Ų | 125.7 | 84% | 0.842 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 117.4 | 177.1 | -68.1 | -89.5 | 0 | 0 | 0 | 108.8 | C3 | C3-F5 HydrophobicContact CB-CZ 4.47Å; C3-F5 HydrophobicContact CB-CE2 4.1Å |
| 6 | V | 57.9 | Low | 55.2 | Low | 96 Ų | 96 | 120.6 Ų | 120.6 | 58% | 0.582 | 67% | 0.671 | S | S | * | * | | | trans | -110.9 | 127.1 | 176 | -83.1 | 0 | 0 | 0 | 0 | 109.5 | V4 V8 | V4-V6 HydrophobicContact CG1-CG1 4.46Å; V6-V8 PolarHBondContact O-N 3.48Å |
| 7 | T | 53.3 | Low | 55.9 | Low | 142 Ų | 142 | 118.4 Ų | 118.4 | 87% | 0.871 | 66% | 0.656 | S | S | * | * | | | trans | -85.7 | 111 | 178.1 | -34.8 | 0 | 0 | 0 | 0 | 109.1 | G9 | T7-G9 PolarHBondContact O-N 2.93Š|
| 8 | V | 62.5 | Low | 56.2 | Low | 80 Ų | 80 | 115.1 Ų | 115.1 | 49% | 0.485 | 65% | 0.647 | S | S | . | * | | | trans | -81 | 70.2 | -178.1 | -164.9 | 0 | 0 | 0 | 0 | 109.2 | V6 T11 L16 | V6-V8 PolarHBondContact O-N 3.48Å; V8-T11 WeakPolarHBondContact CG1-O 3.16Å; V8-L16 HydrophobicContact CG1-CD1 4.19Å; V8-L16 HydrophobicContact CG2-CD1 4.3Å |
| 9 | G | 58.8 | Low | 56.3 | Low | 62 Ų | 62 | 113.1 Ų | 113.1 | 64% | 0.639 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -75.5 | -37.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T7 | T7-G9 PolarHBondContact O-N 2.93Š|
| 10 | T | 50.3 | Low | 56.4 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 69% | 0.693 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -156 | -0.1 | -173.5 | 52.5 | 0 | 0 | 0 | 0 | 115.2 | L44 | T10-L44 WeakPolarHBondContact OG1-CD2 3.36Š|
| 11 | T | 56.4 | Low | 56.1 | Low | 61 Ų | 61 | 110.9 Ų | 110.9 | 37% | 0.374 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -119.9 | 127.9 | -177.1 | 62.7 | 0 | 0 | 0 | 0 | 109.7 | V8 L44 | V8-T11 WeakPolarHBondContact CG1-O 3.16Å; T11-L44 HydrophobicContact CG2-CD1 4.18Å |
| 12 | S | 60.2 | Low | 56.7 | Low | 83 Ų | 83 | 101.2 Ų | 101.2 | 58% | 0.58 | 59% | 0.593 | S | S | * | * | | | trans | -52.2 | 144.3 | -176.7 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | D14 D15 L16 | S12-D14 PolarHBondContact O-N 3.05Å; S12-D15 PolarHBondContact O-N 3.01Å; S12-D15 VanDerWaalsContact O-N 3.16Å; S12-L16 PolarHBondContact O-N 3.04Å |
| 13 | F | 64.9 | Low | 56.9 | Low | 139 Ų | 139 | 96.5 Ų | 96.5 | 61% | 0.61 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -54.2 | -34 | 178 | 175.8 | -102.5 | 0 | 0 | 0 | 112.8 | D15 L16 I17 | F13-D15 PolarHBondContact O-N 2.79Å; F13-L16 PolarHBondContact O-N 3.47Å; F13-I17 PolarHBondContact O-N 3.36Å; F13-I17 WeakPolarHBondContact O-CG1 3.35Å; F13-I17 HydrophobicContact CZ-CG1 3.66Å; F13-I17 HydrophobicContact CZ-CD1 3.71Å; F13-I17 HydrophobicContact CG-CG1 4.47Å; F13-I17 HydrophobicContact CE2-CD1 4.06Å; F13-I17 HydrophobicContact CE1-CG1 3.69Å; F13-I17 HydrophobicContact CE1-CD1 4.22Å; F13-I17 HydrophobicContact CD2-CG1 4.44Å; F13-I17 HydrophobicContact CD1-CG1 4.11Å; F13-I17 HydrophobicContact CE2-CG1 4.05Å |
| 14 | D | 59.9 | Low | 57 | Low | 123 Ų | 123 | 98.3 Ų | 98.3 | 66% | 0.658 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64 | -39.6 | -179.1 | -155.3 | -108.7 | 0 | 0 | 0 | 112.5 | S12 I17 A18 | S12-D14 PolarHBondContact O-N 3.05Å; D14-I17 PolarHBondContact O-N 2.94Å; D14-A18 WeakPolarHBondContact O-CB 2.93Å; D14-A18 PolarHBondContact O-N 3.38Å |
| 15 | D | 60.8 | Low | 56.6 | Low | 108 Ų | 108 | 96.8 Ų | 96.8 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.2 | -38.5 | 179.2 | -128.5 | -98.2 | 0 | 0 | 0 | 111.3 | S12 F13 A18 C19 | S12-D15 PolarHBondContact O-N 3.01Å; S12-D15 VanDerWaalsContact O-N 3.16Å; F13-D15 PolarHBondContact O-N 2.79Å; D15-A18 PolarHBondContact O-N 2.73Å; D15-C19 PolarHBondContact O-N 3.47Å; D15-C19 PolarHBondContact O-SG 3.42Å |
| 16 | L | 64.3 | Low | 56.7 | Low | 45 Ų | 45 | 91.9 Ų | 91.9 | 24% | 0.236 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -65 | -42.7 | 174.5 | -82.8 | 148.7 | 0 | 0 | 0 | 111.9 | V8 S12 F13 A18 C19 V20 | V8-L16 HydrophobicContact CG1-CD1 4.19Å; V8-L16 HydrophobicContact CG2-CD1 4.3Å; S12-L16 PolarHBondContact O-N 3.04Å; F13-L16 PolarHBondContact O-N 3.47Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-C19 PolarHBondContact O-N 3.36Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 2.83Å |
| 17 | I | 66.4 | Low | 55.9 | Low | 83 Ų | 83 | 94.8 Ų | 94.8 | 43% | 0.426 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66 | -39.3 | 176.1 | -66.6 | -68.5 | 0 | 0 | 0 | 110 | F13 D14 V20 S21 | F13-I17 PolarHBondContact O-N 3.36Å; F13-I17 WeakPolarHBondContact O-CG1 3.35Å; F13-I17 HydrophobicContact CZ-CG1 3.66Å; F13-I17 HydrophobicContact CZ-CD1 3.71Å; F13-I17 HydrophobicContact CG-CG1 4.47Å; F13-I17 HydrophobicContact CE2-CD1 4.06Å; F13-I17 HydrophobicContact CE1-CG1 3.69Å; F13-I17 HydrophobicContact CE1-CD1 4.22Å; F13-I17 HydrophobicContact CD2-CG1 4.44Å; F13-I17 HydrophobicContact CD1-CG1 4.11Å; F13-I17 HydrophobicContact CE2-CG1 4.05Å; D14-I17 PolarHBondContact O-N 2.94Å; I17-V20 PolarHBondContact O-N 3.34Å; I17-S21 WeakPolarHBondContact O-CA 3.03Å; I17-S21 WeakPolarHBondContact O-CB 3.38Å; I17-S21 PolarHBondContact O-N 3.31Å |
| 18 | A | 62.6 | Low | 55.6 | Low | 58 Ų | 58 | 93.6 Ų | 93.6 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.3 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D14 D15 L16 S21 A22 | D14-A18 WeakPolarHBondContact O-CB 2.93Å; D14-A18 PolarHBondContact O-N 3.38Å; D15-A18 PolarHBondContact O-N 2.73Å; L16-A18 VanDerWaalsContact C-N 3.34Å; A18-S21 PolarHBondContact O-N 2.69Å; A18-A22 PolarHBondContact O-N 3.39Å |
| 19 | C | 56.8 | Low | 54.7 | Low | 77 Ų | 77 | 93 Ų | 93 | 52% | 0.52 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67 | -37.4 | 176.9 | -70.4 | 0 | 0 | 0 | 0 | 113.5 | D15 L16 | D15-C19 PolarHBondContact O-N 3.47Å; D15-C19 PolarHBondContact O-SG 3.42Å; L16-C19 PolarHBondContact O-N 3.36Å |
| 20 | V | 58 | Low | 53.8 | Low | 93 Ų | 93 | 100.2 Ų | 100.2 | 56% | 0.564 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -80.4 | -31.1 | 176.7 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | L16 I17 A22 L26 | L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 2.83Å; I17-V20 PolarHBondContact O-N 3.34Å; V20-A22 VanDerWaalsContact C-N 3.34Å; V20-L26 HydrophobicContact CG1-CD1 3.83Å; V20-L26 WeakPolarHBondContact O-CD1 3.42Å |
| 21 | S | 51.8 | Low | 53.2 | Low | 87 Ų | 87 | 98.7 Ų | 98.7 | 61% | 0.608 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -82.3 | -11.4 | -178.9 | -171 | 0 | 0 | 0 | 0 | 113.2 | I17 A18 P23 | I17-S21 WeakPolarHBondContact O-CA 3.03Å; I17-S21 WeakPolarHBondContact O-CB 3.38Å; I17-S21 PolarHBondContact O-N 3.31Å; A18-S21 PolarHBondContact O-N 2.69Å; S21-P23 WeakPolarHBondContact O-CD 3.5Å |
| 22 | A | 51.6 | Low | 52.4 | Low | 36 Ų | 36 | 96.7 Ų | 96.7 | 30% | 0.298 | 58% | 0.579 | S | S | . | * | | | trans | -74.1 | 104 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | A18 V20 D24 S25 L26 | A18-A22 PolarHBondContact O-N 3.39Å; V20-A22 VanDerWaalsContact C-N 3.34Å; A22-D24 PolarHBondContact O-N 3.16Å; A22-S25 PolarHBondContact O-N 3.18Å; A22-S25 VanDerWaalsContact O-N 3.07Å; A22-L26 PolarHBondContact O-N 3.49Å |
| 23 | P | 52.4 | Low | 51.8 | Low | 119 Ų | 119 | 101.2 Ų | 101.2 | 77% | 0.773 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -13.8 | -177.6 | 28.6 | -35.3 | 0 | 0 | 0 | 112.5 | S21 | S21-P23 WeakPolarHBondContact O-CD 3.5Š|
| 24 | D | 47.4 | Very low | 50.8 | Low | 139 Ų | 139 | 101.4 Ų | 101.4 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -26.9 | 178.5 | -155.2 | -105.1 | 0 | 0 | 0 | 113.4 | A22 | A22-D24 PolarHBondContact O-N 3.16Š|
| 25 | S | 46 | Very low | 50 | Low | 97 Ų | 97 | 98.2 Ų | 98.2 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -10.5 | 173.3 | -102.1 | 0 | 0 | 0 | 0 | 113.3 | A22 Q27 | A22-S25 PolarHBondContact O-N 3.18Å; A22-S25 VanDerWaalsContact O-N 3.07Å; S25-Q27 PolarHBondContact O-N 2.91Å |
| 26 | L | 47.7 | Very low | 49.4 | Very low | 89 Ų | 89 | 96.3 Ų | 96.3 | 47% | 0.466 | 58% | 0.584 | S | S | . | * | | | trans | -92.1 | 33.2 | 177 | -133.6 | 132.5 | 0 | 0 | 0 | 111.8 | V20 A22 V28 | V20-L26 HydrophobicContact CG1-CD1 3.83Å; V20-L26 WeakPolarHBondContact O-CD1 3.42Å; A22-L26 PolarHBondContact O-N 3.49Å; L26-V28 HydrophobicContact CD2-CG2 3.69Å; L26-V28 HydrophobicContact CG-CG2 4.36Å; L26-V28 PolarHBondContact O-N 3.33Å |
| 27 | Q | 41.3 | Very low | 48.7 | Very low | 156 Ų | 156 | 96.6 Ų | 96.6 | 73% | 0.729 | 59% | 0.593 | S | S | * | * | | | trans | -66 | 84.6 | 149 | -81.6 | -177 | 62.2 | 0 | 0 | 106.7 | S25 S29 | S25-Q27 PolarHBondContact O-N 2.91Å; Q27-S29 PolarHBondContact O-N 3.28Å |
| 28 | V | 47.3 | Very low | 47.8 | Very low | 117 Ų | 117 | 100.4 Ų | 100.4 | 71% | 0.709 | 60% | 0.602 | S | S | * | * | | | trans | -56.8 | 85.5 | 159 | -175.5 | 0 | 0 | 0 | 0 | 105.1 | L26 E30 | L26-V28 HydrophobicContact CD2-CG2 3.69Å; L26-V28 HydrophobicContact CG-CG2 4.36Å; L26-V28 PolarHBondContact O-N 3.33Å; V28-E30 PolarHBondContact O-N 3.34Å |
| 29 | S | 43.2 | Very low | 47.2 | Very low | 68 Ų | 68 | 102.9 Ų | 102.9 | 48% | 0.476 | 61% | 0.606 | S | S | . | * | | | trans | -57.6 | 116.4 | 171.6 | -78.7 | 0 | 0 | 0 | 0 | 105.2 | Q27 G31 G32 | Q27-S29 PolarHBondContact O-N 3.28Å; S29-G31 PolarHBondContact O-N 2.96Å; S29-G32 VanDerWaalsContact CB-N 3.29Å; S29-G32 PolarHBondContact O-N 3.06Å |
| 30 | E | 39.8 | Very low | 47 | Very low | 213 Ų | 213 | 102 Ų | 102 | 100% | 0.995 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 10.6 | 170.9 | -133.5 | 171.7 | 91.2 | 0 | 0 | 112.5 | V28 | V28-E30 PolarHBondContact O-N 3.34Š|
| 31 | G | 39.4 | Very low | 46.8 | Very low | 81 Ų | 81 | 100.7 Ų | 100.7 | 84% | 0.835 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.7 | 30.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S29 | S29-G31 PolarHBondContact O-N 2.96Š|
| 32 | G | 38.8 | Very low | 46.7 | Very low | 19 Ų | 19 | 105.5 Ų | 105.5 | 20% | 0.196 | 60% | 0.602 | C | S | . | * | | | trans | -133.1 | 31.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | S29 Q34 A35 | S29-G32 VanDerWaalsContact CB-N 3.29Å; S29-G32 PolarHBondContact O-N 3.06Å; G32-Q34 PolarHBondContact O-N 3.07Å; G32-A35 PolarHBondContact O-N 3.41Å |
| 33 | E | 47.1 | Very low | 46.6 | Very low | 179 Ų | 179 | 112 Ų | 112 | 84% | 0.836 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63 | -23.8 | 166.6 | -165.5 | 167.2 | 83.7 | 0 | 0 | 111.8 | | |
| 34 | Q | 43.5 | Very low | 46.2 | Very low | 142 Ų | 142 | 110.7 Ų | 110.7 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72 | -40 | 177.3 | -131.9 | 94.1 | 81.2 | 0 | 0 | 112.5 | G32 A37 W38 | G32-Q34 PolarHBondContact O-N 3.07Å; Q34-A37 PolarHBondContact O-N 3.07Å; Q34-W38 WeakPolarHBondContact O-CB 3.08Å; Q34-W38 PolarHBondContact O-N 2.99Å |
| 35 | A | 43.4 | Very low | 46 | Very low | 57 Ų | 57 | 111 Ų | 111 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71 | -39 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G32 W38 L39 | G32-A35 PolarHBondContact O-N 3.41Å; A35-W38 PolarHBondContact O-N 3.47Å; A35-L39 WeakPolarHBondContact O-CG 3.05Å; A35-L39 PolarHBondContact O-N 3.44Å |
| 36 | A | 48.7 | Very low | 45.9 | Very low | 67 Ų | 67 | 111 Ų | 111 | 55% | 0.554 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.2 | -38.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W38 L39 A40 | A36-W38 VanDerWaalsContact C-N 3.34Å; A36-W38 PolarHBondContact O-N 2.62Å; A36-L39 PolarHBondContact O-N 2.85Å; A36-A40 PolarHBondContact O-N 2.88Å; A36-A40 VanDerWaalsContact O-CB 3.27Å; A36-A40 WeakPolarHBondContact O-CB 3.1Å |
| 37 | A | 50.3 | Low | 45.6 | Very low | 52 Ų | 52 | 117.2 Ų | 117.2 | 43% | 0.43 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.1 | -39.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q34 T41 | Q34-A37 PolarHBondContact O-N 3.07Å; A37-T41 WeakPolarHBondContact O-CB 3.48Å; A37-T41 PolarHBondContact O-N 2.86Å; A37-T41 PolarHBondContact O-OG1 2.81Å |
| 38 | W | 46.7 | Very low | 45.6 | Very low | 162 Ų | 162 | 114.2 Ų | 114.2 | 61% | 0.614 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.1 | -39.7 | 175.5 | -87.9 | 104.5 | 0 | 0 | 0 | 112.8 | Q34 A35 A36 R42 | Q34-W38 WeakPolarHBondContact O-CB 3.08Å; Q34-W38 PolarHBondContact O-N 2.99Å; A35-W38 PolarHBondContact O-N 3.47Å; A36-W38 VanDerWaalsContact C-N 3.34Å; A36-W38 PolarHBondContact O-N 2.62Å; W38-R42 WeakPolarHBondContact O-CB 3.27Å; W38-R42 WeakPolarHBondContact O-CG 2.92Å; W38-R42 PolarHBondContact O-N 3.46Å |
| 39 | L | 50.8 | Low | 45.2 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 58% | 0.576 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.8 | -43.5 | 177.1 | -77.6 | 164 | 0 | 0 | 0 | 112.1 | A35 A36 T41 R42 H43 | A35-L39 WeakPolarHBondContact O-CG 3.05Å; A35-L39 PolarHBondContact O-N 3.44Å; A36-L39 PolarHBondContact O-N 2.85Å; L39-T41 VanDerWaalsContact C-N 3.29Å; L39-T41 PolarHBondContact O-N 3.5Å; L39-R42 PolarHBondContact O-N 2.86Å; L39-R42 VanDerWaalsContact O-N 3.14Å; L39-H43 PolarHBondContact O-N 3.31Å |
| 40 | A | 52.9 | Low | 45.2 | Very low | 58 Ų | 58 | 119 Ų | 119 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.9 | -39.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A36 H43 L44 | A36-A40 PolarHBondContact O-N 2.88Å; A36-A40 VanDerWaalsContact O-CB 3.27Å; A36-A40 WeakPolarHBondContact O-CB 3.1Å; A40-H43 PolarHBondContact O-N 3.38Å; A40-L44 PolarHBondContact O-N 2.9Å; A40-L44 VanDerWaalsContact O-N 3.07Å |
| 41 | T | 52.9 | Low | 45.2 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 41% | 0.411 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.4 | -39.6 | 173.3 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | A37 L39 H43 L44 R45 | A37-T41 WeakPolarHBondContact O-CB 3.48Å; A37-T41 PolarHBondContact O-N 2.86Å; A37-T41 PolarHBondContact O-OG1 2.81Å; L39-T41 VanDerWaalsContact C-N 3.29Å; L39-T41 PolarHBondContact O-N 3.5Å; T41-H43 PolarHBondContact O-N 3.32Å; T41-L44 CarbonylContact O-C 3.57Å; T41-L44 PolarHBondContact O-N 3.05Å; T41-R45 HydrophobicContact CG2-CG 3.59Å; T41-R45 WeakPolarHBondContact O-CB 3.36Å; T41-R45 WeakPolarHBondContact O-CG 3.48Å; T41-R45 PolarHBondContact O-N 3.14Å |
| 42 | R | 49.3 | Very low | 45.5 | Very low | 187 Ų | 187 | 126 Ų | 126 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.8 | -35.9 | 176.6 | -81.4 | 179.1 | 80.7 | -162.1 | 5.2 | 113.2 | W38 L39 | W38-R42 WeakPolarHBondContact O-CB 3.27Å; W38-R42 WeakPolarHBondContact O-CG 2.92Å; W38-R42 PolarHBondContact O-N 3.46Å; L39-R42 PolarHBondContact O-N 2.86Å; L39-R42 VanDerWaalsContact O-N 3.14Å |
| 43 | H | 49.5 | Very low | 45.8 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -77.5 | -25.3 | 175.9 | -107.9 | -69.9 | 0 | 0 | 0 | 113.6 | L39 A40 T41 | L39-H43 PolarHBondContact O-N 3.31Å; A40-H43 PolarHBondContact O-N 3.38Å; T41-H43 PolarHBondContact O-N 3.32Å |
| 44 | L | 44 | Very low | 45.8 | Very low | 92 Ų | 92 | 129 Ų | 129 | 48% | 0.482 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -89.8 | -7.7 | 171.3 | -93 | 93.3 | 0 | 0 | 0 | 114.8 | T10 T11 A40 T41 P46 | T10-L44 WeakPolarHBondContact OG1-CD2 3.36Å; T11-L44 HydrophobicContact CG2-CD1 4.18Å; A40-L44 PolarHBondContact O-N 2.9Å; A40-L44 VanDerWaalsContact O-N 3.07Å; T41-L44 CarbonylContact O-C 3.57Å; T41-L44 PolarHBondContact O-N 3.05Å; L44-P46 WeakPolarHBondContact O-CD 3.41Å |
| 45 | R | 43.3 | Very low | 45.9 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 55% | 0.547 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.3 | 20.6 | -176.5 | -81.2 | -105.3 | -84 | -176.9 | -6.6 | 118.1 | T41 | T41-R45 HydrophobicContact CG2-CG 3.59Å; T41-R45 WeakPolarHBondContact O-CB 3.36Å; T41-R45 WeakPolarHBondContact O-CG 3.48Å; T41-R45 PolarHBondContact O-N 3.14Å |
| 46 | P | 43.7 | Very low | 46.1 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -17.1 | 158.2 | -5.8 | 21.9 | 0 | 0 | 0 | 112.6 | L44 | L44-P46 WeakPolarHBondContact O-CD 3.41Š|
| 47 | Y | 40.9 | Very low | 45.9 | Very low | 219 Ų | 219 | 137.1 Ų | 137.1 | 86% | 0.859 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -108.7 | -6.8 | -168.4 | -85.7 | -82.6 | 0 | 0 | 0 | 117.2 | | |
| 48 | C | 41.9 | Very low | 45.6 | Very low | 93 Ų | 93 | 143.1 Ų | 143.1 | 63% | 0.628 | 68% | 0.675 | S | S | * | * | | | trans | -114.3 | 76.8 | 173.8 | -93 | 0 | 0 | 0 | 0 | 110.8 | P50 | C48-P50 WeakPolarHBondContact O-CD 3.43Š|
| 49 | Q | 38.7 | Very low | 45.5 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 68% | 0.68 | S | S | * | * | | | trans | -82.5 | 112.6 | 156.4 | -83 | -91.5 | -25 | 0 | 0 | 108 | | |
| 50 | P | 44 | Very low | 45 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | | | trans | -80.1 | 127.5 | 162.5 | 31.1 | -25.7 | 0 | 0 | 0 | 108.1 | C48 | C48-P50 WeakPolarHBondContact O-CD 3.43Š|
| 51 | R | 39.5 | Very low | 44.3 | Very low | 316 Ų | 316 | 152.2 Ų | 152.2 | 100% | 1.192 | 71% | 0.707 | S | S | * | * | | | trans | -63.7 | 0 | 167.4 | -164.7 | -171.5 | -170.1 | -161.5 | 4.2 | 110.7 | | |