| 1 | M | 38.4 | Very low | 43.2 | Very low | 239 Ų | 239 | 128.9 Ų | 128.9 | 100% | 1.177 | 70% | 0.698 | S | S | * | * | | | | 0 | 110.3 | 0 | -161.4 | 176 | -126.2 | 0 | 0 | 106.3 | | |
| 2 | R | 35.3 | Very low | 43.7 | Very low | 251 Ų | 251 | 124 Ų | 124 | 95% | 0.947 | 68% | 0.681 | S | S | * | * | | | trans | 42.3 | 84.6 | -172.8 | -67.7 | -177.5 | 174 | -179.2 | -2 | 115.6 | | |
| 3 | C | 38.5 | Very low | 43.9 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | | | trans | -93.1 | 108.4 | 157.5 | -80.7 | 0 | 0 | 0 | 0 | 108.7 | S5 | C3-S5 PolarHBondContact O-N 2.97Š|
| 4 | A | 37.7 | Very low | 44.2 | Very low | 95 Ų | 95 | 118.9 Ų | 118.9 | 79% | 0.785 | 66% | 0.663 | S | S | * | * | | | trans | -75.9 | 95.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | S6 | A4-S6 VanDerWaalsContact C-N 3.29Å; A4-S6 PolarHBondContact O-N 3.41Å |
| 5 | S | 42.7 | Very low | 44.3 | Very low | 88 Ų | 88 | 118.1 Ų | 118.1 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | | | trans | -70.6 | 82.3 | -174.8 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | C3 S7 | C3-S5 PolarHBondContact O-N 2.97Å; S5-S7 PolarHBondContact O-N 3.41Å |
| 6 | S | 44.7 | Very low | 44.5 | Very low | 54 Ų | 54 | 114.1 Ų | 114.1 | 38% | 0.378 | 64% | 0.642 | S | S | . | * | | | trans | -63.4 | 122.9 | 156.5 | 97 | 0 | 0 | 0 | 0 | 106.4 | A4 R8 D9 | A4-S6 VanDerWaalsContact C-N 3.29Å; A4-S6 PolarHBondContact O-N 3.41Å; S6-R8 PolarHBondContact O-N 3.06Å; S6-D9 WeakPolarHBondContact CB-OD2 3.38Å; S6-D9 PolarHBondContact O-N 3Å; S6-D9 PolarHBondContact OG-N 3.11Å; S6-D9 PolarHBondContact OG-OD2 3.08Å |
| 7 | S | 49.7 | Very low | 44.7 | Very low | 95 Ų | 95 | 112.6 Ų | 112.6 | 66% | 0.664 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.5 | -11.4 | -178.3 | -44.1 | 0 | 0 | 0 | 0 | 113.3 | S5 N11 | S5-S7 PolarHBondContact O-N 3.41Å; S7-N11 PolarHBondContact O-ND2 3.34Å |
| 8 | R | 50.7 | Low | 44.6 | Very low | 215 Ų | 215 | 110.7 Ų | 110.7 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -77.9 | -37.2 | 171.5 | -75.9 | 178.9 | 172.1 | 169.7 | -2.6 | 112.7 | S6 N11 S12 | S6-R8 PolarHBondContact O-N 3.06Å; R8-N11 PolarHBondContact O-N 2.77Å; R8-S12 PolarHBondContact O-N 2.83Å; R8-S12 VanDerWaalsContact O-N 3.12Å |
| 9 | D | 44.8 | Very low | 44.6 | Very low | 91 Ų | 91 | 109.6 Ų | 109.6 | 49% | 0.487 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -70.9 | -36.4 | 179.2 | -64.4 | -42.9 | 0 | 0 | 0 | 111.6 | S6 N11 S12 L13 | S6-D9 WeakPolarHBondContact CB-OD2 3.38Å; S6-D9 PolarHBondContact O-N 3Å; S6-D9 PolarHBondContact OG-N 3.11Å; S6-D9 PolarHBondContact OG-OD2 3.08Å; D9-N11 PolarHBondContact O-N 3.45Å; D9-N11 VanDerWaalsContact C-N 3.29Å; D9-S12 PolarHBondContact O-N 3.47Å; D9-S12 PolarHBondContact O-OG 3.17Å; D9-L13 PolarHBondContact O-N 3.04Å |
| 10 | C | 45.3 | Very low | 44.5 | Very low | 71 Ų | 71 | 110.5 Ų | 110.5 | 48% | 0.48 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -63.2 | -35.3 | 172.3 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | A14 | C10-A14 PolarHBondContact O-N 3.05Å |
| 11 | N | 47.5 | Very low | 44.4 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 54% | 0.535 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.7 | -37 | 176.8 | -96.4 | -59 | 0 | 0 | 0 | 112.5 | S7 R8 D9 L13 A14 I15 | S7-N11 PolarHBondContact O-ND2 3.34Å; R8-N11 PolarHBondContact O-N 2.77Å; D9-N11 PolarHBondContact O-N 3.45Å; D9-N11 VanDerWaalsContact C-N 3.29Å; N11-L13 VanDerWaalsContact C-N 3.33Å; N11-L13 PolarHBondContact O-N 3.37Å; N11-A14 PolarHBondContact O-N 3.45Å; N11-I15 VanDerWaalsContact O-N 3.15Å; N11-I15 PolarHBondContact O-N 3.04Å; N11-I15 WeakPolarHBondContact O-CG1 3.4Å; N11-I15 WeakPolarHBondContact O-CD1 3.34Å; N11-I15 VanDerWaalsContact O-CG1 3.27Å |
| 12 | S | 48.7 | Very low | 44.5 | Very low | 70 Ų | 70 | 109.6 Ų | 109.6 | 49% | 0.49 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.9 | -35.2 | 177.7 | 89.8 | 0 | 0 | 0 | 0 | 112.4 | R8 D9 A16 | R8-S12 PolarHBondContact O-N 2.83Å; R8-S12 VanDerWaalsContact O-N 3.12Å; D9-S12 PolarHBondContact O-N 3.47Å; D9-S12 PolarHBondContact O-OG 3.17Å; S12-A16 WeakPolarHBondContact O-CB 3.24Å; S12-A16 PolarHBondContact O-N 3.43Å |
| 13 | L | 46.4 | Very low | 44.8 | Very low | 116 Ų | 116 | 107.2 Ų | 107.2 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.2 | -36.4 | 178 | -94.3 | 145.9 | 0 | 0 | 0 | 113 | D9 N11 S17 | D9-L13 PolarHBondContact O-N 3.04Å; N11-L13 VanDerWaalsContact C-N 3.33Å; N11-L13 PolarHBondContact O-N 3.37Å; L13-S17 WeakPolarHBondContact O-CB 3.45Å; L13-S17 PolarHBondContact O-N 3.11Å; L13-S17 PolarHBondContact O-OG 3.16Å |
| 14 | A | 47.8 | Very low | 45.1 | Very low | 61 Ų | 61 | 113.1 Ų | 113.1 | 50% | 0.504 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.1 | -41.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C10 N11 A18 | C10-A14 PolarHBondContact O-N 3.05Å; N11-A14 PolarHBondContact O-N 3.45Å; A14-A18 PolarHBondContact O-N 3.47Å; A14-A18 VanDerWaalsContact O-N 3.16Å |
| 15 | I | 46.3 | Very low | 45.1 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 55% | 0.549 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -74.6 | -38.1 | 179.4 | -63.5 | 166.8 | 0 | 0 | 0 | 111.8 | N11 S17 A18 S19 | N11-I15 VanDerWaalsContact O-N 3.15Å; N11-I15 PolarHBondContact O-N 3.04Å; N11-I15 WeakPolarHBondContact O-CG1 3.4Å; N11-I15 WeakPolarHBondContact O-CD1 3.34Å; N11-I15 VanDerWaalsContact O-CG1 3.27Å; I15-S17 VanDerWaalsContact C-N 3.31Å; I15-S17 PolarHBondContact O-N 3.34Å; I15-A18 PolarHBondContact O-N 3.04Å; I15-S19 PolarHBondContact O-N 2.87Å; I15-S19 VanDerWaalsContact O-N 3.11Å; I15-S19 PolarHBondContact O-OG 3.15Å |
| 16 | A | 46.8 | Very low | 44.9 | Very low | 54 Ų | 54 | 118 Ų | 118 | 45% | 0.446 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64.6 | -35.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S12 V20 | S12-A16 WeakPolarHBondContact O-CB 3.24Å; S12-A16 PolarHBondContact O-N 3.43Å; A16-V20 VanDerWaalsContact O-CG2 3.27Å; A16-V20 WeakPolarHBondContact O-CG2 3.27Å |
| 17 | S | 48.3 | Very low | 44.8 | Very low | 89 Ų | 89 | 119.5 Ų | 119.5 | 62% | 0.622 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.4 | -28 | 177.1 | -57.7 | 0 | 0 | 0 | 0 | 113 | L13 I15 | L13-S17 WeakPolarHBondContact O-CB 3.45Å; L13-S17 PolarHBondContact O-N 3.11Å; L13-S17 PolarHBondContact O-OG 3.16Å; I15-S17 VanDerWaalsContact C-N 3.31Å; I15-S17 PolarHBondContact O-N 3.34Å |
| 18 | A | 44.1 | Very low | 44.6 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -77.6 | -25.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A14 I15 | A14-A18 PolarHBondContact O-N 3.47Å; A14-A18 VanDerWaalsContact O-N 3.16Å; I15-A18 PolarHBondContact O-N 3.04Å |
| 19 | S | 44.4 | Very low | 44.5 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 63% | 0.629 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -7 | -174.4 | -63.6 | 0 | 0 | 0 | 0 | 115.1 | I15 | I15-S19 PolarHBondContact O-N 2.87Å; I15-S19 VanDerWaalsContact O-N 3.11Å; I15-S19 PolarHBondContact O-OG 3.15Å |
| 20 | V | 41.3 | Very low | 44.8 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -1.1 | -174.5 | 176.6 | 0 | 0 | 0 | 0 | 113.2 | A16 | A16-V20 VanDerWaalsContact O-CG2 3.27Å; A16-V20 WeakPolarHBondContact O-CG2 3.27Å |
| 21 | R | 42.1 | Very low | 44.9 | Very low | 243 Ų | 243 | 127.2 Ų | 127.2 | 92% | 0.917 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -130.5 | 49 | -177.7 | -135.6 | 177 | -161.8 | -173.6 | 3.9 | 114.3 | | |
| 22 | A | 41.5 | Very low | 45.1 | Very low | 87 Ų | 87 | 128 Ų | 128 | 72% | 0.719 | 70% | 0.699 | S | S | * | * | | | trans | -129.8 | 55 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 23 | K | 41.9 | Very low | 45.5 | Very low | 202 Ų | 202 | 129.7 Ų | 129.7 | 88% | 0.878 | 71% | 0.709 | S | S | * | * | | | trans | -143 | 122.2 | 169 | -69.8 | -170.3 | 179.7 | 178.7 | 0 | 110.1 | | |
| 24 | R | 44.8 | Very low | 46 | Very low | 242 Ų | 242 | 130.7 Ų | 130.7 | 91% | 0.913 | 72% | 0.719 | S | S | * | * | | | trans | 96.8 | 94 | 179.7 | -62 | -178.8 | 169.8 | -152.8 | -3.5 | 115.3 | P26 | R24-P26 WeakPolarHBondContact O-CD 3.44Š|
| 25 | Q | 37.3 | Very low | 46.4 | Very low | 202 Ų | 202 | 132.2 Ų | 132.2 | 94% | 0.944 | 72% | 0.718 | S | S | * | * | | | trans | -84.1 | 119.6 | 150.6 | -70.4 | -164.3 | -27.3 | 0 | 0 | 108.7 | | |
| 26 | P | 39.1 | Very low | 46.7 | Very low | 84 Ų | 84 | 131.2 Ų | 131.2 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | | | trans | -112.8 | 131.5 | 155.6 | 32.6 | -22 | 0 | 0 | 0 | 110.1 | R24 | R24-P26 WeakPolarHBondContact O-CD 3.44Š|
| 27 | S | 42.1 | Very low | 47 | Very low | 86 Ų | 86 | 134 Ų | 134 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 57.1 | 147.7 | 166.5 | 64 | 0 | 0 | 0 | 0 | 118.9 | E29 | S27-E29 PolarHBondContact O-N 3.05Š|
| 28 | A | 44.8 | Very low | 47 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 22.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 29 | E | 49.4 | Very low | 47.2 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -3.4 | 176.1 | -76.8 | 177.8 | 98.9 | 0 | 0 | 113.2 | S27 | S27-E29 PolarHBondContact O-N 3.05Š|
| 30 | N | 50.9 | Low | 47.3 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | | | trans | -107.3 | 77.2 | -178.7 | -108 | -6 | 0 | 0 | 0 | 111.6 | V32 | N30-V32 PolarHBondContact O-N 3.47Š|
| 31 | W | 48.4 | Very low | 47.4 | Very low | 238 Ų | 238 | 140.5 Ų | 140.5 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | | | trans | -69.1 | 95 | 165.4 | -68.6 | 84.4 | 0 | 0 | 0 | 108.7 | P33 | W31-P33 WeakPolarHBondContact O-CD 3.27Š|
| 32 | V | 51.2 | Low | 47.3 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | | | trans | -76.4 | 118.9 | 166.5 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | N30 V34 | N30-V32 PolarHBondContact O-N 3.47Å; V32-V34 VanDerWaalsContact O-N 3.11Å; V32-V34 PolarHBondContact O-N 3.06Å |
| 33 | P | 57.1 | Low | 47.6 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 69% | 0.688 | 71% | 0.713 | S | S | * | * | | | trans | -62.2 | 118.5 | 177.1 | 23.1 | -30.6 | 0 | 0 | 0 | 109.4 | W31 I35 | W31-P33 WeakPolarHBondContact O-CD 3.27Å; P33-I35 PolarHBondContact O-N 3.39Å; P33-I35 VanDerWaalsContact O-N 3.08Å |
| 34 | V | 57.4 | Low | 47.8 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | | | trans | -69.7 | 100.2 | 167.8 | 178.3 | 0 | 0 | 0 | 0 | 106.5 | V32 P36 | V32-V34 VanDerWaalsContact O-N 3.11Å; V32-V34 PolarHBondContact O-N 3.06Å; V34-P36 WeakPolarHBondContact O-CD 3.27Å |
| 35 | I | 56.3 | Low | 47.9 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 48% | 0.482 | 71% | 0.712 | S | S | . | * | | | trans | -69.6 | 121.1 | 169.8 | -60.5 | 176 | 0 | 0 | 0 | 106.7 | P33 T37 A39 Y40 | P33-I35 PolarHBondContact O-N 3.39Å; P33-I35 VanDerWaalsContact O-N 3.08Å; I35-T37 PolarHBondContact O-N 3.29Å; I35-A39 HydrophobicContact CG2-CB 3.84Å; I35-Y40 HydrophobicContact CB-CE2 4.44Å; I35-Y40 HydrophobicContact CG2-CE2 4.08Å |
| 36 | P | 51.3 | Low | 48.3 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 56% | 0.558 | 69% | 0.691 | S | S | * | * | | | trans | -59.1 | 132.5 | 176.2 | 21.8 | -29.2 | 0 | 0 | 0 | 109.1 | V34 D38 A39 | V34-P36 WeakPolarHBondContact O-CD 3.27Å; P36-D38 PolarHBondContact O-N 3.32Å; P36-A39 HydrophobicContact CG-CB 4.4Å; P36-A39 VanDerWaalsContact O-CB 3.24Å; P36-A39 WeakPolarHBondContact O-CB 3.34Å; P36-A39 PolarHBondContact O-N 3.42Å |
| 37 | T | 52.5 | Low | 48.7 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -62.1 | -19.2 | -171.2 | -25 | 0 | 0 | 0 | 0 | 112.8 | I35 A39 Y40 | I35-T37 PolarHBondContact O-N 3.29Å; T37-A39 VanDerWaalsContact C-N 3.28Å; T37-A39 PolarHBondContact O-N 3.46Å; T37-Y40 PolarHBondContact O-N 3.21Å |
| 38 | D | 48.9 | Very low | 48.6 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -71.8 | -15.1 | 170.9 | -79.7 | -36.4 | 0 | 0 | 0 | 114.2 | P36 Y40 | P36-D38 PolarHBondContact O-N 3.32Å; D38-Y40 VanDerWaalsContact C-N 3.3Å |
| 39 | A | 49.1 | Very low | 48.5 | Very low | 54 Ų | 54 | 135.7 Ų | 135.7 | 45% | 0.446 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -79.2 | -11.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I35 P36 T37 F41 | I35-A39 HydrophobicContact CG2-CB 3.84Å; P36-A39 HydrophobicContact CG-CB 4.4Å; P36-A39 VanDerWaalsContact O-CB 3.24Å; P36-A39 WeakPolarHBondContact O-CB 3.34Å; P36-A39 PolarHBondContact O-N 3.42Å; T37-A39 VanDerWaalsContact C-N 3.28Å; T37-A39 PolarHBondContact O-N 3.46Å; A39-F41 VanDerWaalsContact C-N 3.29Å |
| 40 | Y | 45.9 | Very low | 48.3 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -76.2 | -17.3 | 174.7 | -82.4 | -89.8 | 0 | 0 | 0 | 112.9 | I35 T37 D38 R42 | I35-Y40 HydrophobicContact CB-CE2 4.44Å; I35-Y40 HydrophobicContact CG2-CE2 4.08Å; T37-Y40 PolarHBondContact O-N 3.21Å; D38-Y40 VanDerWaalsContact C-N 3.3Å; Y40-R42 VanDerWaalsContact C-N 3.32Å; Y40-R42 PolarHBondContact O-N 3.12Å |
| 41 | F | 42.6 | Very low | 48.1 | Very low | 169 Ų | 169 | 139 Ų | 139 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 53.3 | -177.3 | -68.6 | -85 | 0 | 0 | 0 | 112.5 | A39 | A39-F41 VanDerWaalsContact C-N 3.29Š|
| 42 | R | 41.7 | Very low | 47.7 | Very low | 221 Ų | 221 | 131.1 Ų | 131.1 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.4 | 11.9 | 161.3 | -119.6 | 173.7 | 176.3 | -159.6 | -2.4 | 115.5 | Y40 | Y40-R42 VanDerWaalsContact C-N 3.32Å; Y40-R42 PolarHBondContact O-N 3.12Å |
| 43 | V | 47 | Very low | 47.5 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 56% | 0.558 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -104.8 | -20.7 | -175.4 | -178.2 | 0 | 0 | 0 | 0 | 113 | L47 | V43-L47 HydrophobicContact CG1-CD1 4.35Å; V43-L47 VanDerWaalsContact O-CD1 3.27Å; V43-L47 WeakPolarHBondContact O-CD1 3.18Å |
| 44 | E | 45.7 | Very low | 47.3 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -92 | -8.9 | -179.6 | -70.3 | -153.4 | 128.1 | 0 | 0 | 115.9 | | |
| 45 | Q | 47.2 | Very low | 47.2 | Very low | 196 Ų | 196 | 137 Ų | 137 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -96.1 | -4.4 | 179.1 | -72 | -173.2 | 6.1 | 0 | 0 | 114.6 | | |
| 46 | S | 46.7 | Very low | 47.1 | Very low | 71 Ų | 71 | 139.4 Ų | 139.4 | 50% | 0.497 | 73% | 0.734 | S | S | . | * | S | Bend | trans | -115.6 | -3.8 | -172.4 | -35.4 | 0 | 0 | 0 | 0 | 113.8 | C48 V49 | S46-C48 PolarHBondContact O-N 2.79Å; S46-V49 PolarHBondContact O-N 3.42Å |
| 47 | L | 46.3 | Very low | 47.4 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 20.3 | -171.6 | -92 | 159.9 | 0 | 0 | 0 | 115 | V43 | V43-L47 HydrophobicContact CG1-CD1 4.35Å; V43-L47 VanDerWaalsContact O-CD1 3.27Å; V43-L47 WeakPolarHBondContact O-CD1 3.18Å |
| 48 | C | 39.5 | Very low | 47.7 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | 34.1 | 168.6 | -157.6 | 0 | 0 | 0 | 0 | 111.6 | S46 | S46-C48 PolarHBondContact O-N 2.79Š|
| 49 | V | 43.5 | Very low | 48.2 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -129.4 | 104.5 | -178.9 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | S46 | S46-V49 PolarHBondContact O-N 3.42Š|
| 50 | H | 46.1 | Very low | 48.6 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | | | trans | 46 | 108.6 | 152.5 | -71.4 | -70.9 | 0 | 0 | 0 | 119.7 | G52 | H50-G52 PolarHBondContact O-N 2.88Š|
| 51 | Q | 44.9 | Very low | 49.3 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | | | trans | 6.1 | 109.7 | 140.1 | -72.5 | 179 | -11.8 | 0 | 0 | 116.3 | | |
| 52 | G | 40.8 | Very low | 49.7 | Very low | 72 Ų | 72 | 150.1 Ų | 150.1 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | trans | 68.9 | 96.5 | 136.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | H50 | H50-G52 PolarHBondContact O-N 2.88Š|
| 53 | R | 46.2 | Very low | 50.9 | Low | 232 Ų | 232 | 143.3 Ų | 143.3 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | | | | -159.3 | 145.3 | 110.3 | -71.7 | -139 | -168.2 | -158.2 | 6.4 | 109.4 | V55 | R53-V55 PolarHBondContact O-N 3.26Š|
| 54 | P | 53.8 | Low | 51.8 | Low | 119 Ų | 119 | 145 Ų | 145 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.2 | 177.2 | 27.7 | -33 | 0 | 0 | 0 | 109.4 | | |
| 55 | V | 55.6 | Low | 52 | Low | 132 Ų | 132 | 144.4 Ų | 144.4 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 116.4 | 169.9 | -177 | 0 | 0 | 0 | 0 | 105.8 | R53 D57 | R53-V55 PolarHBondContact O-N 3.26Å; V55-D57 PolarHBondContact O-N 2.92Å |
| 56 | D | 54.6 | Low | 52.5 | Low | 144 Ų | 144 | 139.9 Ų | 139.9 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 123.1 | 171.4 | -79.8 | -69.2 | 0 | 0 | 0 | 109.4 | V58 | D56-V58 PolarHBondContact O-N 3.43Š|
| 57 | D | 57.4 | Low | 52.4 | Low | 124 Ų | 124 | 145.4 Ų | 145.4 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | | | trans | -68.9 | 99.3 | 178.1 | -71.6 | -41.8 | 0 | 0 | 0 | 110.3 | V55 Y59 | V55-D57 PolarHBondContact O-N 2.92Å; D57-Y59 HydrophobicContact CB-CD2 4.23Å; D57-Y59 HydrophobicContact CB-CE2 3.45Å; D57-Y59 VanDerWaalsContact CB-CE2 3.45Å; D57-Y59 WeakPolarHBondContact O-CD2 3.49Å; D57-Y59 PolarHBondContact O-N 3.22Å |
| 58 | V | 57.6 | Low | 52.8 | Low | 112 Ų | 112 | 145.4 Ų | 145.4 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | | | trans | -86.6 | 104.9 | 171.8 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | D56 | D56-V58 PolarHBondContact O-N 3.43Š|
| 59 | Y | 59.9 | Low | 52.6 | Low | 185 Ų | 185 | 146.1 Ų | 146.1 | 73% | 0.725 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 129.2 | 173.1 | -61.3 | -85.6 | 0 | 0 | 0 | 110.7 | D57 | D57-Y59 HydrophobicContact CB-CD2 4.23Å; D57-Y59 HydrophobicContact CB-CE2 3.45Å; D57-Y59 VanDerWaalsContact CB-CE2 3.45Å; D57-Y59 WeakPolarHBondContact O-CD2 3.49Å; D57-Y59 PolarHBondContact O-N 3.22Å |
| 60 | W | 57.5 | Low | 53.1 | Low | 187 Ų | 187 | 148 Ų | 148 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 124.6 | 173.5 | -79 | 58.2 | 0 | 0 | 0 | 110 | L66 | W60-L66 HydrophobicContact CH2-CD2 3.94Å; W60-L66 HydrophobicContact CZ2-CG 4.39Å; W60-L66 HydrophobicContact CZ2-CD2 4.05Å; W60-L66 HydrophobicContact CZ2-CD1 3.53Å; W60-L66 HydrophobicContact CH2-CG 4.35Å; W60-L66 HydrophobicContact CH2-CD1 3.85Å |
| 61 | W | 59.8 | Low | 53.5 | Low | 200 Ų | 200 | 146.8 Ų | 146.8 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 135.5 | 169.9 | -96.5 | 45.8 | 0 | 0 | 0 | 110.4 | G63 D64 | W61-G63 PolarHBondContact O-N 2.58Å; W61-D64 PolarHBondContact O-N 3.31Å |
| 62 | P | 52.4 | Low | 53.9 | Low | 135 Ų | 135 | 144.3 Ų | 144.3 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 97.3 | 174.6 | 28.1 | -31 | 0 | 0 | 0 | 109.4 | | |
| 63 | G | 66 | Low | 54.7 | Low | 79 Ų | 79 | 148.5 Ų | 148.5 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.3 | -17.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W61 | W61-G63 PolarHBondContact O-N 2.58Š|
| 64 | D | 66.5 | Low | 55.2 | Low | 127 Ų | 127 | 143.3 Ų | 143.3 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | | | trans | -99.1 | 126.4 | -180 | -79.3 | -51 | 0 | 0 | 0 | 112.4 | W61 L66 | W61-D64 PolarHBondContact O-N 3.31Å; D64-L66 PolarHBondContact O-N 2.85Å |
| 65 | Q | 49.3 | Very low | 55.3 | Low | 171 Ų | 171 | 144.9 Ų | 144.9 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | trans | -77.2 | 113.9 | 177.1 | -162 | 179.3 | 42.2 | 0 | 0 | 109.2 | K67 | Q65-K67 PolarHBondContact O-N 3.3Š|
| 66 | L | 57.8 | Low | 55.3 | Low | 100 Ų | 100 | 145.9 Ų | 145.9 | 52% | 0.524 | 79% | 0.789 | S | S | . | * | | | trans | -55.6 | 108.6 | 176.5 | -162.1 | 84 | 0 | 0 | 0 | 110.6 | W60 D64 I68 | W60-L66 HydrophobicContact CH2-CD2 3.94Å; W60-L66 HydrophobicContact CZ2-CG 4.39Å; W60-L66 HydrophobicContact CZ2-CD2 4.05Å; W60-L66 HydrophobicContact CZ2-CD1 3.53Å; W60-L66 HydrophobicContact CH2-CG 4.35Å; W60-L66 HydrophobicContact CH2-CD1 3.85Å; D64-L66 PolarHBondContact O-N 2.85Å; L66-I68 HydrophobicContact CD2-CD1 3.82Å; L66-I68 HydrophobicContact CD2-CG1 4.01Å; L66-I68 HydrophobicContact CG-CG1 4.21Å |
| 67 | K | 44.7 | Very low | 55.4 | Low | 188 Ų | 188 | 146 Ų | 146 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | | | trans | -101.2 | 108.9 | 166.8 | -74.7 | -176 | -179.7 | 175.5 | 0 | 108.8 | Q65 | Q65-K67 PolarHBondContact O-N 3.3Š|
| 68 | I | 54.3 | Low | 55.2 | Low | 146 Ų | 146 | 147.8 Ų | 147.8 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | -93.8 | 119.9 | 168.1 | -57.4 | 173.5 | 0 | 0 | 0 | 106.5 | L66 | L66-I68 HydrophobicContact CD2-CD1 3.82Å; L66-I68 HydrophobicContact CD2-CG1 4.01Å; L66-I68 HydrophobicContact CG-CG1 4.21Å |
| 69 | G | 36.6 | Very low | 55 | Low | 144 Ų | 144 | 151.1 Ų | 151.1 | 100% | 1.485 | 81% | 0.812 | S | S | * | * | | | trans | -88.6 | 0 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |