| 1 | T | 53.1 | Low | 54 | Low | 180 Ų | 180 | 119.3 Ų | 119.3 | 100% | 1.104 | 72% | 0.722 | S | S | * | * | | | | 0 | 70.3 | 0 | 43.9 | 0 | 0 | 0 | 0 | 109.9 | V3 | T1-V3 PolarHBondContact O-N 3.26Š|
| 2 | Y | 56.9 | Low | 53.9 | Low | 233 Ų | 233 | 118.9 Ų | 118.9 | 91% | 0.914 | 72% | 0.72 | S | S | * | * | | | trans | -80.3 | 30.9 | -169.4 | -99.6 | -92.7 | 0 | 0 | 0 | 114.6 | | |
| 3 | V | 56.1 | Low | 53.9 | Low | 118 Ų | 118 | 116.8 Ų | 116.8 | 72% | 0.715 | 71% | 0.707 | S | S | * | * | | | trans | -107.6 | 6.8 | -167.2 | -161.2 | 0 | 0 | 0 | 0 | 113.3 | T1 S5 | T1-V3 PolarHBondContact O-N 3.26Å; V3-S5 VanDerWaalsContact C-N 3.25Å; V3-S5 PolarHBondContact O-N 2.85Å |
| 4 | H | 51.1 | Low | 53.9 | Low | 177 Ų | 177 | 114.2 Ų | 114.2 | 82% | 0.819 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -18.4 | 176.2 | -157.9 | 104.5 | 0 | 0 | 0 | 113 | | |
| 5 | S | 53.4 | Low | 54.1 | Low | 87 Ų | 87 | 108.5 Ų | 108.5 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 1 | -173.9 | -54.6 | 0 | 0 | 0 | 0 | 115 | V3 V7 | V3-S5 VanDerWaalsContact C-N 3.25Å; V3-S5 PolarHBondContact O-N 2.85Å; S5-V7 PolarHBondContact O-N 3.29Å |
| 6 | A | 53 | Low | 54 | Low | 67 Ų | 67 | 108.9 Ų | 108.9 | 55% | 0.554 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -30.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 7 | V | 53.7 | Low | 53.9 | Low | 132 Ų | 132 | 108.2 Ų | 108.2 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -32.5 | -176.5 | 159 | 0 | 0 | 0 | 0 | 112.9 | S5 A9 G10 | S5-V7 PolarHBondContact O-N 3.29Å; V7-A9 VanDerWaalsContact C-N 3.27Å; V7-A9 PolarHBondContact O-N 3.12Å; V7-G10 PolarHBondContact O-N 3.45Å |
| 8 | L | 49.3 | Very low | 53.7 | Low | 148 Ų | 148 | 108.4 Ų | 108.4 | 78% | 0.775 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -18.2 | 179.4 | -65.5 | 172.2 | 0 | 0 | 0 | 113 | | |
| 9 | A | 53.9 | Low | 53.8 | Low | 49 Ų | 49 | 112.4 Ų | 112.4 | 41% | 0.405 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | -11.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | V7 T13 | V7-A9 VanDerWaalsContact C-N 3.27Å; V7-A9 PolarHBondContact O-N 3.12Å; A9-T13 WeakPolarHBondContact O-CG2 3.07Å; A9-T13 PolarHBondContact O-OG1 3.08Å; A9-T13 VanDerWaalsContact O-OG1 3.12Å |
| 10 | G | 56.6 | Low | 53.5 | Low | 52 Ų | 52 | 114.6 Ų | 114.6 | 54% | 0.536 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | -26.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V7 | V7-G10 PolarHBondContact O-N 3.45Š|
| 11 | G | 56.8 | Low | 53.4 | Low | 69 Ų | 69 | 115 Ų | 115 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -23.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 12 | V | 52.5 | Low | 53.4 | Low | 115 Ų | 115 | 112 Ų | 112 | 70% | 0.697 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -29.1 | -170.8 | 165.7 | 0 | 0 | 0 | 0 | 112.9 | V14 G15 | V12-V14 PolarHBondContact O-N 2.9Å; V12-G15 PolarHBondContact O-N 3.31Å |
| 13 | T | 53.9 | Low | 53.6 | Low | 91 Ų | 91 | 105.2 Ų | 105.2 | 56% | 0.558 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -73.8 | -12.8 | -176.5 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | A9 G15 | A9-T13 WeakPolarHBondContact O-CG2 3.07Å; A9-T13 PolarHBondContact O-OG1 3.08Å; A9-T13 VanDerWaalsContact O-OG1 3.12Å; T13-G15 VanDerWaalsContact C-N 3.26Å |
| 14 | V | 54.3 | Low | 53.5 | Low | 81 Ų | 81 | 103.3 Ų | 103.3 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -79.7 | -12.2 | 175.7 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | V12 M28 | V12-V14 PolarHBondContact O-N 2.9Å; V14-M28 HydrophobicContact CG1-CE 3.82Å; V14-M28 HydrophobicContact CG1-SD 3.24Å; V14-M28 WeakPolarHBondContact CG1-SD 3.24Å |
| 15 | G | 57.4 | Low | 54.1 | Low | 28 Ų | 28 | 102 Ų | 102 | 29% | 0.289 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -86.5 | -5.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V12 T13 W25 | V12-G15 PolarHBondContact O-N 3.31Å; T13-G15 VanDerWaalsContact C-N 3.26Å; G15-W25 VanDerWaalsContact O-CH2 3.24Å; G15-W25 WeakPolarHBondContact O-CH2 3.24Å; G15-W25 WeakPolarHBondContact O-CZ3 2.9Å |
| 16 | T | 51.1 | Low | 54.5 | Low | 115 Ų | 115 | 102.7 Ų | 102.7 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | | | trans | -106.4 | 52 | 179.1 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 17 | S | 52.4 | Low | 55.2 | Low | 98 Ų | 98 | 102.6 Ų | 102.6 | 69% | 0.685 | 63% | 0.631 | S | S | * | * | | | trans | -95.2 | 98.2 | 163.7 | -126.6 | 0 | 0 | 0 | 0 | 108.4 | H19 | S17-H19 PolarHBondContact O-N 2.92Š|
| 18 | C | 50.4 | Low | 55.8 | Low | 112 Ų | 112 | 102 Ų | 102 | 76% | 0.757 | 62% | 0.62 | S | S | * | * | | | trans | -52.6 | 121.3 | 176.1 | -63 | 0 | 0 | 0 | 0 | 110.9 | L20 | C18-L20 PolarHBondContact O-N 3.21Š|
| 19 | H | 55.7 | Low | 56.8 | Low | 183 Ų | 183 | 97.8 Ų | 97.8 | 85% | 0.847 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 39.2 | 72.5 | 135.6 | -165.8 | -136 | 0 | 0 | 0 | 116.1 | S17 | S17-H19 PolarHBondContact O-N 2.92Š|
| 20 | L | 48.1 | Very low | 57.8 | Low | 156 Ų | 156 | 100.9 Ų | 100.9 | 82% | 0.817 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -151.4 | -29.5 | 158.9 | -108.2 | 137.1 | 0 | 0 | 0 | 118.8 | C18 | C18-L20 PolarHBondContact O-N 3.21Š|
| 21 | I | 51.4 | Low | 58.7 | Low | 125 Ų | 125 | 100.5 Ų | 100.5 | 64% | 0.641 | 61% | 0.607 | S | S | * | * | | | trans | -151.2 | 130.2 | 173.6 | -75.9 | 97.6 | 0 | 0 | 0 | 109.8 | S23 P24 | I21-S23 PolarHBondContact O-N 3.26Å; I21-P24 WeakPolarHBondContact O-CD 3.36Å |
| 22 | P | 53.9 | Low | 59.6 | Low | 117 Ų | 117 | 102.6 Ų | 102.6 | 76% | 0.76 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -76.9 | 45.4 | -168.5 | 33.6 | -38.7 | 0 | 0 | 0 | 114.8 | | |
| 23 | S | 59.5 | Low | 60.7 | Low | 89 Ų | 89 | 100.2 Ų | 100.2 | 62% | 0.622 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -150.9 | 15.9 | -177.2 | -140.2 | 0 | 0 | 0 | 0 | 119.9 | I21 | I21-S23 PolarHBondContact O-N 3.26Š|
| 24 | P | 55.1 | Low | 61.9 | Low | 79 Ų | 79 | 98.6 Ų | 98.6 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -103.5 | -34.3 | 165.2 | 31.2 | -28.5 | 0 | 0 | 0 | 113.1 | I21 | I21-P24 WeakPolarHBondContact O-CD 3.36Š|
| 25 | W | 63.9 | Low | 63 | Low | 148 Ų | 148 | 96.3 Ų | 96.3 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.3 | -48 | 178.9 | -175 | -47.9 | 0 | 0 | 0 | 111.6 | G15 A27 M28 V29 | G15-W25 VanDerWaalsContact O-CH2 3.24Å; G15-W25 WeakPolarHBondContact O-CH2 3.24Å; G15-W25 WeakPolarHBondContact O-CZ3 2.9Å; W25-A27 VanDerWaalsContact C-N 3.29Å; W25-A27 PolarHBondContact O-N 3.41Å; W25-M28 PolarHBondContact O-N 3.05Å; W25-M28 VanDerWaalsContact O-N 3.08Å; W25-V29 PolarHBondContact O-N 3.46Å |
| 26 | L | 62 | Low | 63.7 | Low | 102 Ų | 102 | 100.6 Ų | 100.6 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.4 | -40.9 | -174.6 | -80.7 | 166.3 | 0 | 0 | 0 | 111.7 | M28 V29 L30 | L26-M28 VanDerWaalsContact C-N 3.34Å; L26-M28 PolarHBondContact O-N 2.9Å; L26-V29 PolarHBondContact O-N 3.38Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 2.93Å; L26-L30 WeakPolarHBondContact O-CB 3.22Å |
| 27 | A | 66.6 | Low | 65 | Low | 65 Ų | 65 | 100.4 Ų | 100.4 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.6 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W25 G31 | W25-A27 VanDerWaalsContact C-N 3.29Å; W25-A27 PolarHBondContact O-N 3.41Å; A27-G31 PolarHBondContact O-N 3.37Å |
| 28 | M | 66.3 | Low | 65.9 | Low | 119 Ų | 119 | 99.8 Ų | 99.8 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.4 | -41.2 | 177.6 | -71.9 | -178.6 | 177.3 | 0 | 0 | 112.6 | V14 W25 L26 G31 L32 | V14-M28 HydrophobicContact CG1-CE 3.82Å; V14-M28 HydrophobicContact CG1-SD 3.24Å; V14-M28 WeakPolarHBondContact CG1-SD 3.24Å; W25-M28 PolarHBondContact O-N 3.05Å; W25-M28 VanDerWaalsContact O-N 3.08Å; L26-M28 VanDerWaalsContact C-N 3.34Å; L26-M28 PolarHBondContact O-N 2.9Å; M28-G31 PolarHBondContact O-N 3.45Å; M28-L32 WeakPolarHBondContact O-CB 3.17Å; M28-L32 PolarHBondContact O-N 3.41Å |
| 29 | V | 71.4 | Confident | 66.8 | Low | 61 Ų | 61 | 99.5 Ų | 99.5 | 37% | 0.37 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.8 | -43.8 | 174.9 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | W25 L26 G31 L32 V33 | W25-V29 PolarHBondContact O-N 3.46Å; L26-V29 PolarHBondContact O-N 3.38Å; V29-G31 VanDerWaalsContact C-N 3.33Å; V29-G31 PolarHBondContact O-N 2.77Å; V29-L32 PolarHBondContact O-N 2.8Å; V29-V33 PolarHBondContact O-N 3.28Å; V29-V33 WeakPolarHBondContact O-CG2 3.1Å; V29-V33 VanDerWaalsContact O-CB 3.29Å; V29-V33 WeakPolarHBondContact O-CB 3.26Å; V29-V33 HydrophobicContact CG1-CG2 4.04Å |
| 30 | L | 73.5 | Confident | 67.4 | Low | 113 Ų | 113 | 92 Ų | 92 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 176.5 | -71.4 | 171.2 | 0 | 0 | 0 | 111.4 | L26 A34 | L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 2.93Å; L26-L30 WeakPolarHBondContact O-CB 3.22Å; L30-A34 WeakPolarHBondContact O-CB 3.12Å; L30-A34 PolarHBondContact O-N 3.47Å |
| 31 | G | 75.4 | Confident | 68.2 | Low | 45 Ų | 45 | 86.2 Ų | 86.2 | 46% | 0.464 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A27 M28 V29 G35 | A27-G31 PolarHBondContact O-N 3.37Å; M28-G31 PolarHBondContact O-N 3.45Å; V29-G31 VanDerWaalsContact C-N 3.33Å; V29-G31 PolarHBondContact O-N 2.77Å; G31-G35 PolarHBondContact O-N 2.81Å |
| 32 | L | 75.9 | Confident | 68.5 | Low | 113 Ų | 113 | 84 Ų | 84 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68 | -45.8 | 176 | -164.3 | 157 | 0 | 0 | 0 | 111 | M28 V29 G35 L36 | M28-L32 WeakPolarHBondContact O-CB 3.17Å; M28-L32 PolarHBondContact O-N 3.41Å; V29-L32 PolarHBondContact O-N 2.8Å; L32-G35 PolarHBondContact O-N 3.21Å; L32-L36 HydrophobicContact CD2-CD1 3.51Å; L32-L36 HydrophobicContact CD2-CG 4Å; L32-L36 WeakPolarHBondContact O-CG 3.29Å; L32-L36 PolarHBondContact O-N 3.44Å |
| 33 | V | 76.8 | Confident | 68.6 | Low | 65 Ų | 65 | 86.9 Ų | 86.9 | 39% | 0.394 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V29 G35 L36 I37 | V29-V33 PolarHBondContact O-N 3.28Å; V29-V33 WeakPolarHBondContact O-CG2 3.1Å; V29-V33 VanDerWaalsContact O-CB 3.29Å; V29-V33 WeakPolarHBondContact O-CB 3.26Å; V29-V33 HydrophobicContact CG1-CG2 4.04Å; V33-G35 PolarHBondContact O-N 3.48Å; V33-L36 PolarHBondContact O-N 2.84Å; V33-I37 HydrophobicContact CG1-CD1 3.53Å; V33-I37 PolarHBondContact O-N 2.88Å; V33-I37 WeakPolarHBondContact O-CG1 3.4Å; V33-I37 WeakPolarHBondContact O-CD1 3.13Å; V33-I37 WeakPolarHBondContact O-CB 3.35Å; V33-I37 HydrophobicContact CG1-CG1 4.33Å |
| 34 | A | 79.4 | Confident | 68.3 | Low | 56 Ų | 56 | 92.4 Ų | 92.4 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L30 I37 S38 | L30-A34 WeakPolarHBondContact O-CB 3.12Å; L30-A34 PolarHBondContact O-N 3.47Å; A34-I37 PolarHBondContact O-N 3.35Å; A34-S38 VanDerWaalsContact O-CB 3.26Å; A34-S38 WeakPolarHBondContact O-CB 3.44Å; A34-S38 PolarHBondContact O-N 2.9Å |
| 35 | G | 75.9 | Confident | 67.9 | Low | 34 Ų | 34 | 95.7 Ų | 95.7 | 35% | 0.351 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G31 L32 V33 I37 S38 V39 | G31-G35 PolarHBondContact O-N 2.81Å; L32-G35 PolarHBondContact O-N 3.21Å; V33-G35 PolarHBondContact O-N 3.48Å; G35-I37 PolarHBondContact O-N 3.3Å; G35-I37 VanDerWaalsContact C-N 3.34Å; G35-S38 PolarHBondContact O-N 3.47Å; G35-V39 WeakPolarHBondContact O-CG2 3.35Å; G35-V39 PolarHBondContact O-N 2.77Å |
| 36 | L | 73.6 | Confident | 67.4 | Low | 117 Ų | 117 | 97.3 Ų | 97.3 | 61% | 0.613 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.4 | -41 | 174.2 | -72.8 | 177.8 | 0 | 0 | 0 | 111.8 | L32 V33 V39 G40 | L32-L36 HydrophobicContact CD2-CD1 3.51Å; L32-L36 HydrophobicContact CD2-CG 4Å; L32-L36 WeakPolarHBondContact O-CG 3.29Å; L32-L36 PolarHBondContact O-N 3.44Å; V33-L36 PolarHBondContact O-N 2.84Å; L36-V39 PolarHBondContact O-N 2.81Å; L36-G40 PolarHBondContact O-N 2.72Å |
| 37 | I | 77.3 | Confident | 67.7 | Low | 112 Ų | 112 | 97.1 Ų | 97.1 | 57% | 0.574 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.1 | -36.1 | 174.9 | -67.2 | 164.4 | 0 | 0 | 0 | 110.9 | V33 A34 G35 G41 | V33-I37 HydrophobicContact CG1-CD1 3.53Å; V33-I37 PolarHBondContact O-N 2.88Å; V33-I37 WeakPolarHBondContact O-CG1 3.4Å; V33-I37 WeakPolarHBondContact O-CD1 3.13Å; V33-I37 WeakPolarHBondContact O-CB 3.35Å; V33-I37 HydrophobicContact CG1-CG1 4.33Å; A34-I37 PolarHBondContact O-N 3.35Å; G35-I37 PolarHBondContact O-N 3.3Å; G35-I37 VanDerWaalsContact C-N 3.34Å; I37-G41 WeakPolarHBondContact O-CA 3.37Å; I37-G41 PolarHBondContact O-N 3.42Å |
| 38 | S | 71.7 | Confident | 67.8 | Low | 85 Ų | 85 | 98.7 Ų | 98.7 | 59% | 0.594 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.2 | -39 | 176.7 | -173.7 | 0 | 0 | 0 | 0 | 112 | A34 G35 A42 | A34-S38 VanDerWaalsContact O-CB 3.26Å; A34-S38 WeakPolarHBondContact O-CB 3.44Å; A34-S38 PolarHBondContact O-N 2.9Å; G35-S38 PolarHBondContact O-N 3.47Å; S38-A42 PolarHBondContact O-N 3.27Å |
| 39 | V | 70.4 | Confident | 67.9 | Low | 105 Ų | 105 | 97.6 Ų | 97.6 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74 | -39.5 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | G35 L36 K43 | G35-V39 WeakPolarHBondContact O-CG2 3.35Å; G35-V39 PolarHBondContact O-N 2.77Å; L36-V39 PolarHBondContact O-N 2.81Å; V39-K43 PolarHBondContact O-N 3.49Å |
| 40 | G | 67.7 | Low | 67.7 | Low | 25 Ų | 25 | 99.8 Ų | 99.8 | 26% | 0.258 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.6 | -46.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L36 A42 K43 Y44 | L36-G40 PolarHBondContact O-N 2.72Å; G40-A42 VanDerWaalsContact C-N 3.3Å; G40-A42 PolarHBondContact O-N 3.33Å; G40-K43 CarbonylContact O-C 3.54Å; G40-K43 PolarHBondContact O-N 2.91Å; G40-K43 WeakPolarHBondContact O-CA 3.45Å; G40-Y44 VanDerWaalsContact O-CD2 3.31Å; G40-Y44 WeakPolarHBondContact O-CD2 3.31Å; G40-Y44 PolarHBondContact O-N 3.09Å |
| 41 | G | 64.4 | Low | 67.3 | Low | 35 Ų | 35 | 98.9 Ų | 98.9 | 36% | 0.361 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.1 | -37.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I37 K43 Y44 L45 | I37-G41 WeakPolarHBondContact O-CA 3.37Å; I37-G41 PolarHBondContact O-N 3.42Å; G41-K43 PolarHBondContact O-N 3.38Å; G41-Y44 PolarHBondContact O-N 3.36Å; G41-L45 PolarHBondContact O-N 2.94Å; G41-L45 VanDerWaalsContact O-N 3.09Å |
| 42 | A | 58.7 | Low | 66.7 | Low | 79 Ų | 79 | 102.5 Ų | 102.5 | 65% | 0.653 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.9 | -18.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S38 G40 | S38-A42 PolarHBondContact O-N 3.27Å; G40-A42 VanDerWaalsContact C-N 3.3Å; G40-A42 PolarHBondContact O-N 3.33Å |
| 43 | K | 55.7 | Low | 66.1 | Low | 178 Ų | 178 | 101.8 Ų | 101.8 | 77% | 0.774 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -96.2 | -19.4 | 175.2 | -76.9 | -72.1 | -175.6 | 179.1 | 0 | 113.7 | V39 G40 G41 | V39-K43 PolarHBondContact O-N 3.49Å; G40-K43 CarbonylContact O-C 3.54Å; G40-K43 PolarHBondContact O-N 2.91Å; G40-K43 WeakPolarHBondContact O-CA 3.45Å; G41-K43 PolarHBondContact O-N 3.38Å |
| 44 | Y | 52.3 | Low | 65.3 | Low | 204 Ų | 204 | 104.6 Ų | 104.6 | 80% | 0.8 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -103.8 | 4.8 | 178.3 | -81.2 | -86.5 | 0 | 0 | 0 | 113.7 | G40 G41 P46 | G40-Y44 VanDerWaalsContact O-CD2 3.31Å; G40-Y44 WeakPolarHBondContact O-CD2 3.31Å; G40-Y44 PolarHBondContact O-N 3.09Å; G41-Y44 PolarHBondContact O-N 3.36Å; Y44-P46 VanDerWaalsContact C-CD 3.45Å; Y44-P46 WeakPolarHBondContact O-CD 3.44Å |
| 45 | L | 48 | Very low | 64.1 | Low | 148 Ų | 148 | 108.7 Ų | 108.7 | 78% | 0.775 | 63% | 0.631 | S | S | * | * | | | trans | -95.9 | 91.5 | 160.9 | -121.1 | 86.3 | 0 | 0 | 0 | 109.2 | G41 | G41-L45 PolarHBondContact O-N 2.94Å; G41-L45 VanDerWaalsContact O-N 3.09Å |
| 46 | P | 53.4 | Low | 63 | Low | 182 Ų | 182 | 115.5 Ų | 115.5 | 100% | 1.182 | 66% | 0.656 | S | S | * | * | | | | -85.8 | 0 | 119.5 | 28.2 | -32.5 | 0 | 0 | 0 | 110.8 | Y44 | Y44-P46 VanDerWaalsContact C-CD 3.45Å; Y44-P46 WeakPolarHBondContact O-CD 3.44Å |