| 1 | M | 40.4 | Very low | 39.7 | Very low | 242 Ų | 242 | 156.9 Ų | 156.9 | 100% | 1.192 | 82% | 0.82 | S | S | * | * | | | | 0 | 142.1 | 0 | -64.6 | 169.7 | 174.9 | 0 | 0 | 108.8 | | |
| 2 | R | 40.8 | Very low | 39.7 | Very low | 253 Ų | 253 | 154.8 Ų | 154.8 | 96% | 0.955 | 81% | 0.809 | S | S | * | * | | | trans | -90.2 | 113.3 | 177.2 | -69.3 | -172.6 | 179.7 | -157.5 | 0.4 | 109.9 | H4 | R2-H4 PolarHBondContact O-N 3Š|
| 3 | Q | 40.4 | Very low | 39.6 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -73.5 | 116.2 | 171.7 | -77 | -174.6 | -17.1 | 0 | 0 | 110 | R5 | Q3-R5 PolarHBondContact O-N 2.99Š|
| 4 | H | 42.2 | Very low | 39.8 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | trans | -81.8 | 98.2 | 175.3 | -151.3 | -85.7 | 0 | 0 | 0 | 108.9 | R2 S6 | R2-H4 PolarHBondContact O-N 3Å; H4-S6 PolarHBondContact O-N 2.69Å; H4-S6 VanDerWaalsContact O-N 3.08Å |
| 5 | R | 41.6 | Very low | 39.9 | Very low | 230 Ų | 230 | 147.9 Ų | 147.9 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -68.9 | 104.1 | 175.9 | -78.7 | -176.6 | 173.1 | 169.8 | -2.6 | 109.6 | Q3 | Q3-R5 PolarHBondContact O-N 2.99Š|
| 6 | S | 39.7 | Very low | 39.8 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | -61.2 | 137.1 | 170.4 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | H4 A8 | H4-S6 PolarHBondContact O-N 2.69Å; H4-S6 VanDerWaalsContact O-N 3.08Å; S6-A8 PolarHBondContact O-N 2.88Å |
| 7 | P | 43.7 | Very low | 39.6 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | | | trans | -68.1 | 128.2 | 174.5 | 28.1 | -33.4 | 0 | 0 | 0 | 110 | V9 | P7-V9 PolarHBondContact O-N 2.71Å; P7-V9 VanDerWaalsContact O-N 3.13Å |
| 8 | A | 38.2 | Very low | 39.3 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | | | trans | -71.9 | 105.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S6 A10 | S6-A8 PolarHBondContact O-N 2.88Å; A8-A10 PolarHBondContact O-N 3.07Å |
| 9 | V | 37.9 | Very low | 39 | Very low | 123 Ų | 123 | 146 Ų | 146 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | | | trans | -72.7 | 92.3 | 177.4 | -179 | 0 | 0 | 0 | 0 | 109.5 | P7 M11 | P7-V9 PolarHBondContact O-N 2.71Å; P7-V9 VanDerWaalsContact O-N 3.13Å; V9-M11 PolarHBondContact O-N 3.26Å |
| 10 | A | 37.7 | Very low | 38.7 | Very low | 92 Ų | 92 | 146.5 Ų | 146.5 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | | | trans | -65.2 | 101.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A8 L12 | A8-A10 PolarHBondContact O-N 3.07Å; A10-L12 VanDerWaalsContact C-N 3.32Å; A10-L12 PolarHBondContact O-N 3.36Å |
| 11 | M | 34.3 | Very low | 38.5 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 50% | 0.502 | 75% | 0.75 | S | S | . | * | | | trans | -76 | 78.6 | 179.6 | -98.6 | -71.2 | -71.6 | 0 | 0 | 111.5 | V9 C13 R298 | V9-M11 PolarHBondContact O-N 3.26Å; M11-C13 PolarHBondContact O-N 3.12Å; M11-R298 PolarHBondContact SD-NH2 3.08Å |
| 12 | L | 39.1 | Very low | 38.3 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | | | trans | -77.7 | 83.4 | -179.8 | -168.2 | 56.5 | 0 | 0 | 0 | 111.4 | A10 F14 | A10-L12 VanDerWaalsContact C-N 3.32Å; A10-L12 PolarHBondContact O-N 3.36Å; L12-F14 VanDerWaalsContact C-N 3.3Å; L12-F14 HydrophobicContact CD2-CD2 4.17Å; L12-F14 HydrophobicContact CD2-CE2 3.42Å; L12-F14 VanDerWaalsContact CD2-CE2 3.42Å; L12-F14 HydrophobicContact CD2-CZ 3.98Å; L12-F14 HydrophobicContact CG-CD2 3.95Å; L12-F14 HydrophobicContact CG-CE2 3.66Å; L12-F14 HydrophobicContact CG-CZ 4.27Å; L12-F14 PolarHBondContact O-N 3.01Å |
| 13 | C | 39.1 | Very low | 38.1 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 64% | 0.635 | 70% | 0.704 | S | S | * | * | | | trans | -71 | 73.2 | -179.3 | -71.9 | 0 | 0 | 0 | 0 | 113.2 | M11 N15 | M11-C13 PolarHBondContact O-N 3.12Å; C13-N15 PolarHBondContact O-N 3.08Å |
| 14 | F | 41.9 | Very low | 38.2 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 58% | 0.579 | 68% | 0.684 | S | S | * | * | | | trans | -61.9 | 105 | 169 | -82.4 | -68.2 | 0 | 0 | 0 | 111.1 | L12 Y16 | L12-F14 VanDerWaalsContact C-N 3.3Å; L12-F14 HydrophobicContact CD2-CD2 4.17Å; L12-F14 HydrophobicContact CD2-CE2 3.42Å; L12-F14 VanDerWaalsContact CD2-CE2 3.42Å; L12-F14 HydrophobicContact CD2-CZ 3.98Å; L12-F14 HydrophobicContact CG-CD2 3.95Å; L12-F14 HydrophobicContact CG-CE2 3.66Å; L12-F14 HydrophobicContact CG-CZ 4.27Å; L12-F14 PolarHBondContact O-N 3.01Å; F14-Y16 VanDerWaalsContact C-N 3.29Å; F14-Y16 HydrophobicContact CB-CD2 4.17Å; F14-Y16 HydrophobicContact CB-CE2 4.48Å; F14-Y16 PolarHBondContact O-N 2.81Å |
| 15 | N | 41 | Very low | 38.1 | Very low | 136 Ų | 136 | 122.4 Ų | 122.4 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | | | trans | -72.8 | 85.9 | 169.8 | -121.4 | -77.3 | 0 | 0 | 0 | 109 | C13 T17 | C13-N15 PolarHBondContact O-N 3.08Å; N15-T17 PolarHBondContact O-N 3.47Å |
| 16 | Y | 38.5 | Very low | 38 | Very low | 148 Ų | 148 | 116.4 Ų | 116.4 | 58% | 0.58 | 66% | 0.66 | S | S | * | * | | | trans | -71.5 | 77.7 | 176.2 | -106.2 | -71.5 | 0 | 0 | 0 | 110.9 | F14 V18 W158 | F14-Y16 VanDerWaalsContact C-N 3.29Å; F14-Y16 HydrophobicContact CB-CD2 4.17Å; F14-Y16 HydrophobicContact CB-CE2 4.48Å; F14-Y16 PolarHBondContact O-N 2.81Å; Y16-V18 HydrophobicContact CD1-CG2 3.69Å; Y16-V18 HydrophobicContact CG-CG2 4.34Å; Y16-V18 PolarHBondContact O-N 3.11Å; Y16-W158 WeakPolarHBondContact OH-CH2 3.36Å; Y16-W158 WeakPolarHBondContact OH-CZ3 3.48Å |
| 17 | T | 36.2 | Very low | 37.9 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 71% | 0.712 | 65% | 0.653 | S | S | * | * | | | trans | -69.7 | 67.1 | 158.2 | -51.9 | 0 | 0 | 0 | 0 | 108.3 | N15 R19 | N15-T17 PolarHBondContact O-N 3.47Å; T17-R19 PolarHBondContact O-N 3.12Å |
| 18 | V | 34.1 | Very low | 37.7 | Very low | 92 Ų | 92 | 114.2 Ų | 114.2 | 56% | 0.558 | 64% | 0.639 | S | S | * | * | | | trans | -55 | 125.6 | 170 | 178.1 | 0 | 0 | 0 | 0 | 106.7 | Y16 F20 | Y16-V18 HydrophobicContact CD1-CG2 3.69Å; Y16-V18 HydrophobicContact CG-CG2 4.34Å; Y16-V18 PolarHBondContact O-N 3.11Å; V18-F20 PolarHBondContact O-N 3.46Å |
| 19 | R | 33.9 | Very low | 37.8 | Very low | 199 Ų | 199 | 118.7 Ų | 118.7 | 75% | 0.751 | 63% | 0.634 | S | S | * | * | | | trans | -74.8 | 70.7 | -174.2 | -62.4 | 168.1 | 96.4 | 141.8 | -0.9 | 109.9 | T17 L21 V22 | T17-R19 PolarHBondContact O-N 3.12Å; R19-L21 PolarHBondContact O-N 2.7Å; R19-V22 HydrophobicContact CB-CG2 4.04Å; R19-V22 WeakPolarHBondContact O-CG2 3.33Å; R19-V22 PolarHBondContact O-N 2.93Å |
| 20 | F | 34 | Very low | 37.8 | Very low | 155 Ų | 155 | 119 Ų | 119 | 68% | 0.68 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -56.4 | -13.2 | 173.8 | -117.2 | -82.8 | 0 | 0 | 0 | 113.1 | V18 V22 V24 | V18-F20 PolarHBondContact O-N 3.46Å; F20-V22 PolarHBondContact O-N 3.48Å; F20-V24 VanDerWaalsContact O-CG2 3.32Å; F20-V24 WeakPolarHBondContact O-CG2 3.42Å |
| 21 | L | 34.9 | Very low | 37.9 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 81% | 0.812 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -64 | -15.8 | 170.1 | -62.6 | 171.5 | 0 | 0 | 0 | 114.4 | R19 | R19-L21 PolarHBondContact O-N 2.7Š|
| 22 | V | 35.9 | Very low | 38.3 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -84.9 | -13.2 | -177.3 | -176.5 | 0 | 0 | 0 | 0 | 113.1 | R19 F20 | R19-V22 HydrophobicContact CB-CG2 4.04Å; R19-V22 WeakPolarHBondContact O-CG2 3.33Å; R19-V22 PolarHBondContact O-N 2.93Å; F20-V22 PolarHBondContact O-N 3.48Å |
| 23 | S | 36.4 | Very low | 38.3 | Very low | 72 Ų | 72 | 120.3 Ų | 120.3 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -121.5 | 6.1 | -173.7 | -49.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 24 | V | 41.1 | Very low | 38.3 | Very low | 72 Ų | 72 | 119.4 Ų | 119.4 | 44% | 0.436 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.1 | -31.8 | -176.5 | -170.1 | 0 | 0 | 0 | 0 | 115.4 | F20 V26 S28 | F20-V24 VanDerWaalsContact O-CG2 3.32Å; F20-V24 WeakPolarHBondContact O-CG2 3.42Å; V24-V26 PolarHBondContact O-N 3.38Å; V24-V26 VanDerWaalsContact O-N 3.08Å; V24-S28 PolarHBondContact O-OG 3.13Å |
| 25 | P | 40.7 | Very low | 38.3 | Very low | 90 Ų | 90 | 122.9 Ų | 122.9 | 58% | 0.584 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.7 | -17.9 | -175.1 | -27 | 36 | 0 | 0 | 0 | 116.9 | | |
| 26 | V | 40.4 | Very low | 38.1 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 63% | 0.63 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -98.2 | -47 | -172.5 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | V24 S28 R29 | V24-V26 PolarHBondContact O-N 3.38Å; V24-V26 VanDerWaalsContact O-N 3.08Å; V26-S28 VanDerWaalsContact C-N 3.3Å; V26-S28 PolarHBondContact O-N 2.9Å; V26-R29 WeakPolarHBondContact O-CB 3.22Å; V26-R29 PolarHBondContact O-N 2.79Å |
| 27 | L | 36.6 | Very low | 37.8 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 56% | 0.56 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.7 | -33.3 | -178.1 | -78.6 | 160.1 | 0 | 0 | 0 | 112.9 | R29 L30 F31 | L27-R29 PolarHBondContact O-N 2.95Å; L27-L30 PolarHBondContact O-N 3.16Å; L27-F31 PolarHBondContact O-N 3.21Å |
| 28 | S | 39.9 | Very low | 37.6 | Very low | 65 Ų | 65 | 120.4 Ų | 120.4 | 46% | 0.455 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -61.8 | -22.8 | 174.9 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | V24 V26 N32 | V24-S28 PolarHBondContact O-OG 3.13Å; V26-S28 VanDerWaalsContact C-N 3.3Å; V26-S28 PolarHBondContact O-N 2.9Å; S28-N32 PolarHBondContact O-N 2.83Å |
| 29 | R | 40.3 | Very low | 37.5 | Very low | 194 Ų | 194 | 121.2 Ų | 121.2 | 73% | 0.732 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.7 | -42.9 | 175.1 | -56.6 | -172.8 | -171.7 | -155.6 | -0.4 | 111.3 | V26 L27 A33 | V26-R29 WeakPolarHBondContact O-CB 3.22Å; V26-R29 PolarHBondContact O-N 2.79Å; L27-R29 PolarHBondContact O-N 2.95Å; R29-A33 WeakPolarHBondContact O-CB 3.42Å; R29-A33 PolarHBondContact O-N 3.41Å; R29-A33 VanDerWaalsContact O-N 3.12Å |
| 30 | L | 38.3 | Very low | 37.5 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -63.1 | -44.7 | 176.1 | -110.9 | 70.6 | 0 | 0 | 0 | 112 | L27 A33 G34 | L27-L30 PolarHBondContact O-N 3.16Å; L30-A33 PolarHBondContact O-N 3.01Å; L30-G34 PolarHBondContact O-N 2.94Å |
| 31 | F | 39.9 | Very low | 37.5 | Very low | 158 Ų | 158 | 120.4 Ų | 120.4 | 69% | 0.693 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -76.5 | -25.6 | -172.6 | -141.5 | -97.2 | 0 | 0 | 0 | 114 | L27 | L27-F31 PolarHBondContact O-N 3.21Å |
| 32 | N | 43.2 | Very low | 37.5 | Very low | 117 Ų | 117 | 116.5 Ų | 116.5 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -81.6 | -33.2 | 170.3 | -83.4 | -18.5 | 0 | 0 | 0 | 112.7 | S28 G34 R35 S36 | S28-N32 PolarHBondContact O-N 2.83Å; N32-G34 VanDerWaalsContact C-N 3.29Å; N32-G34 PolarHBondContact O-N 3.5Å; N32-R35 PolarHBondContact O-N 2.89Å; N32-S36 PolarHBondContact O-OG 3.39Å |
| 33 | A | 39.1 | Very low | 37.5 | Very low | 79 Ų | 79 | 120 Ų | 120 | 65% | 0.653 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -61 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R29 L30 R35 | R29-A33 WeakPolarHBondContact O-CB 3.42Å; R29-A33 PolarHBondContact O-N 3.41Å; R29-A33 VanDerWaalsContact O-N 3.12Å; L30-A33 PolarHBondContact O-N 3.01Å; A33-R35 PolarHBondContact O-N 3.16Å |
| 34 | G | 37.5 | Very low | 37.3 | Very low | 75 Ų | 75 | 120.1 Ų | 120.1 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 1.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | L30 N32 | L30-G34 PolarHBondContact O-N 2.94Å; N32-G34 VanDerWaalsContact C-N 3.29Å; N32-G34 PolarHBondContact O-N 3.5Å |
| 35 | R | 41.6 | Very low | 37 | Very low | 205 Ų | 205 | 125.4 Ų | 125.4 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | 1.3 | -170.2 | -146.1 | 170.7 | -175.2 | 166 | 1.4 | 115.8 | N32 A33 | N32-R35 PolarHBondContact O-N 2.89Å; A33-R35 PolarHBondContact O-N 3.16Å |
| 36 | S | 38.6 | Very low | 36.8 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | | | trans | -104.5 | 0.7 | -173.9 | -54.1 | 0 | 0 | 0 | 0 | 114.7 | N32 L38 | N32-S36 PolarHBondContact O-OG 3.39Å; S36-L38 PolarHBondContact O-N 3.39Å; S36-L38 VanDerWaalsContact O-N 3.08Å |
| 37 | G | 31.2 | Very low | 36.2 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | trans | -84.9 | 60 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 38 | L | 31.5 | Very low | 36 | Very low | 170 Ų | 170 | 130 Ų | 130 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | | | trans | -162.2 | 48.9 | 172.1 | -118.1 | 170.5 | 0 | 0 | 0 | 116.1 | S36 | S36-L38 PolarHBondContact O-N 3.39Å; S36-L38 VanDerWaalsContact O-N 3.08Å |
| 39 | S | 32.4 | Very low | 35.4 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -159.3 | 113.4 | 159.3 | -160.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 40 | R | 33.7 | Very low | 35.1 | Very low | 230 Ų | 230 | 129.1 Ų | 129.1 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | | | trans | 52.3 | 96.5 | 131.3 | -160.7 | 177.1 | -169.6 | 165.7 | 1.9 | 120.9 | | |
| 41 | A | 34.4 | Very low | 34.5 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 88% | 0.884 | 77% | 0.771 | S | S | * | * | | | trans | 67.3 | 143.5 | 138.9 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 42 | G | 35.1 | Very low | 34.1 | Very low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | 140.8 | 130.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 43 | Q | 36 | Very low | 33.5 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | -44.3 | 132.8 | 174.9 | -69.8 | 134.4 | -100.2 | 0 | 0 | 113.1 | | |
| 44 | A | 32.2 | Very low | 33.2 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 60% | 0.603 | 79% | 0.792 | S | S | * | * | | | | 89.1 | 140.8 | 52.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 45 | H | 34.7 | Very low | 33 | Very low | 183 Ų | 183 | 136 Ų | 136 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | 68 | 141.6 | -175.2 | -39.4 | -79.4 | 0 | 0 | 0 | 114.1 | | |
| 46 | T | 35.6 | Very low | 32.7 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | | | cis | -127.3 | 168.1 | -6.3 | 47 | 0 | 0 | 0 | 0 | 110.4 | | |
| 47 | A | 28.6 | Very low | 32.5 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -97.8 | 130.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 48 | E | 31.7 | Very low | 32.7 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -120.4 | 128 | 162 | -91.1 | -128.9 | 106.4 | 0 | 0 | 109.8 | V50 | E48-V50 HydrophobicContact CB-CG2 4.49Š|
| 49 | V | 28.9 | Very low | 32.8 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | | | trans | -112.9 | 80.5 | 174.1 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 50 | V | 32.8 | Very low | 33.2 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 62% | 0.618 | 81% | 0.805 | S | S | * | * | | | trans | -101.8 | 93.3 | 177.4 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | E48 A52 | E48-V50 HydrophobicContact CB-CG2 4.49Å; V50-A52 HydrophobicContact CG1-CB 4.42Å; V50-A52 PolarHBondContact O-N 3.4Å |
| 51 | R | 26.9 | Very low | 33.5 | Very low | 222 Ų | 222 | 128.5 Ų | 128.5 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -70.2 | 106.5 | 162.6 | 170.9 | -168.4 | -82.5 | 111.5 | -6.9 | 108 | | |
| 52 | A | 29.8 | Very low | 33.8 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | | | trans | -119.9 | 121 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V50 | V50-A52 HydrophobicContact CG1-CB 4.42Å; V50-A52 PolarHBondContact O-N 3.4Å |
| 53 | Q | 31.4 | Very low | 34 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -84 | 138.6 | 171.6 | -69.5 | 171.2 | -34.7 | 0 | 0 | 109.3 | | |
| 54 | A | 32.2 | Very low | 33.9 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | trans | -119.9 | 64.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 55 | S | 33.5 | Very low | 34.4 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | -92.8 | 105.5 | 170.5 | 50.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 56 | L | 35 | Very low | 34.5 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 133.6 | 173.6 | -81.6 | 160.8 | 0 | 0 | 0 | 110.3 | | |
| 57 | P | 34.5 | Very low | 34.7 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 152.9 | -170.4 | 34.8 | -36 | 0 | 0 | 0 | 113.9 | | |
| 58 | T | 35.1 | Very low | 35.2 | Very low | 147 Ų | 147 | 146 Ų | 146 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 142.4 | 161.2 | -54 | 0 | 0 | 0 | 0 | 109.4 | | |
| 59 | A | 35.3 | Very low | 35.7 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 139 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 60 | A | 39.2 | Very low | 36.5 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -166.1 | 160.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 61 | S | 39.9 | Very low | 37 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | | | trans | -13.6 | 152 | 156.8 | -73.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 62 | E | 41.6 | Very low | 37.9 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 78% | 0.78 | 82% | 0.82 | S | S | * | * | | | cis | -165.9 | -175.9 | -8.6 | -139.7 | 150.3 | 128 | 0 | 0 | 109.4 | | |
| 63 | E | 37.9 | Very low | 38.5 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | | | trans | 59.8 | 147.9 | 169.8 | -79.2 | -165.7 | 97.5 | 0 | 0 | 119.6 | | |
| 64 | A | 34.7 | Very low | 39.2 | Very low | 88 Ų | 88 | 147 Ų | 147 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | | | trans | -145.4 | 150.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 65 | P | 43.5 | Very low | 39.9 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | | | | -142.1 | 118.4 | 126.1 | 31.6 | -15.6 | 0 | 0 | 0 | 115.4 | | |
| 66 | R | 35.7 | Very low | 40.6 | Very low | 239 Ų | 239 | 154.3 Ų | 154.3 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | | | trans | 17.7 | 121.6 | 134.6 | -59 | 176.7 | 176.3 | -174.2 | -1 | 118.8 | | |
| 67 | L | 41.4 | Very low | 41.2 | Very low | 177 Ų | 177 | 158.3 Ų | 158.3 | 93% | 0.927 | 83% | 0.826 | S | S | * | * | | | trans | -137.6 | 150.2 | 141.4 | -100.2 | 171.6 | 0 | 0 | 0 | 110.4 | | |
| 68 | R | 37.4 | Very low | 41.7 | Very low | 236 Ų | 236 | 156.3 Ų | 156.3 | 89% | 0.891 | 83% | 0.827 | S | S | * | * | | | trans | -129.4 | 136.7 | 178 | -76 | -178.9 | 172.6 | 176.7 | -3 | 110 | | |
| 69 | V | 42.7 | Very low | 42.4 | Very low | 154 Ų | 154 | 153.5 Ų | 153.5 | 93% | 0.933 | 82% | 0.819 | S | S | * | * | | | trans | -139.2 | 151.9 | 155 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 70 | A | 45.8 | Very low | 43.1 | Very low | 91 Ų | 91 | 156.6 Ų | 156.6 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | | | trans | -119.6 | 172.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 71 | D | 42.6 | Very low | 43.7 | Very low | 130 Ų | 130 | 161.7 Ų | 161.7 | 70% | 0.695 | 83% | 0.825 | S | S | * | * | | | trans | -36.5 | 144.9 | 176 | -171.8 | 20.5 | 0 | 0 | 0 | 117.1 | | |
| 72 | V | 46.3 | Very low | 44.1 | Very low | 139 Ų | 139 | 162.4 Ų | 162.4 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | | | trans | -138.6 | 108.9 | 159.9 | 179.9 | 0 | 0 | 0 | 0 | 109 | | |
| 73 | R | 42.5 | Very low | 44.3 | Very low | 210 Ų | 210 | 166.2 Ų | 166.2 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | | | trans | -131.1 | 152.1 | 168.9 | -80.7 | -178.9 | 162.2 | -169.3 | -2.7 | 110.9 | | |
| 74 | Q | 46.7 | Very low | 44.6 | Very low | 191 Ų | 191 | 161.4 Ų | 161.4 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | | | trans | 67.7 | 105.9 | 170.3 | -48.6 | -173.4 | 24 | 0 | 0 | 118.7 | | |
| 75 | Q | 47.3 | Very low | 45.2 | Very low | 163 Ų | 163 | 169.1 Ų | 169.1 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | | | trans | -155.9 | 93.6 | 137 | -148 | 157.1 | -125.8 | 0 | 0 | 112.1 | | |
| 76 | R | 48.1 | Very low | 45.4 | Very low | 205 Ų | 205 | 169.3 Ų | 169.3 | 77% | 0.774 | 84% | 0.841 | S | S | * | * | | | | 87.5 | 156.4 | 103.8 | -75.1 | -176.9 | -161.7 | -141.6 | 7.7 | 115.7 | | |
| 77 | R | 46.8 | Very low | 45.9 | Very low | 255 Ų | 255 | 169.2 Ų | 169.2 | 96% | 0.962 | 84% | 0.841 | S | S | * | * | | | trans | 71.3 | 138.2 | 173.2 | -39.8 | -178.9 | -163.6 | -138.3 | 2 | 112.2 | | |
| 78 | G | 44.5 | Very low | 46.4 | Very low | 78 Ų | 78 | 166.1 Ų | 166.1 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | | | cis | 153.5 | 154 | 2.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 79 | A | 51.1 | Low | 46.7 | Very low | 87 Ų | 87 | 159.7 Ų | 159.7 | 72% | 0.719 | 83% | 0.829 | S | S | * | * | | | cis | -156.7 | 177.3 | -2.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 80 | D | 49 | Very low | 46.8 | Very low | 165 Ų | 165 | 155.5 Ų | 155.5 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | | | trans | 70.8 | 163.6 | 158.5 | -56.7 | -36 | 0 | 0 | 0 | 122.4 | | |
| 81 | K | 52.1 | Low | 46.8 | Very low | 207 Ų | 207 | 159.6 Ų | 159.6 | 90% | 0.9 | 82% | 0.821 | S | S | * | * | | | trans | -147.2 | 171.6 | -158.1 | -110.8 | -162.6 | 168 | 179 | 0 | 112.3 | | |
| 82 | P | 48.5 | Very low | 47 | Very low | 114 Ų | 114 | 160.8 Ų | 160.8 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | | | trans | -112.6 | 172.1 | -154.1 | 42.5 | -38.6 | 0 | 0 | 0 | 116.4 | | |
| 83 | R | 46.6 | Very low | 47 | Very low | 248 Ų | 248 | 158.4 Ų | 158.4 | 94% | 0.936 | 82% | 0.822 | S | S | * | * | | | trans | -163.6 | 165 | 154.8 | -123.6 | 175.2 | 179.7 | -173.2 | -0.8 | 115.9 | | |
| 84 | A | 44.3 | Very low | 47.6 | Very low | 90 Ų | 90 | 155 Ų | 155 | 74% | 0.744 | 82% | 0.824 | S | S | * | * | | | trans | 64.6 | 127.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 85 | R | 46.6 | Very low | 47.6 | Very low | 251 Ų | 251 | 152 Ų | 152 | 95% | 0.947 | 82% | 0.822 | S | S | * | * | | | cis | 84.4 | 98.1 | 42.4 | -86.1 | -163.2 | 168.3 | -161.3 | -0.6 | 115.2 | | |
| 86 | S | 48.2 | Very low | 47.6 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | -166.5 | 141.5 | 138.9 | 50.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 87 | R | 45.7 | Very low | 47.8 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | | | trans | -167.9 | 122.7 | 172 | -175 | -179.6 | -176.3 | 177.9 | 2 | 111.7 | | |
| 88 | P | 52.6 | Low | 47.5 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 72% | 0.721 | 83% | 0.826 | S | S | * | * | | | trans | -117.5 | 161.2 | 143.7 | 25.9 | -8.8 | 0 | 0 | 0 | 110.2 | | |
| 89 | A | 42 | Very low | 47.6 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | cis | 89 | 133.2 | 21.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 90 | G | 45.4 | Very low | 47.6 | Very low | 66 Ų | 66 | 149.8 Ų | 149.8 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | | | trans | 114.4 | 106.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 91 | E | 45.3 | Very low | 47.9 | Very low | 178 Ų | 178 | 146.4 Ų | 146.4 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | cis | 100.5 | 152.8 | 29.1 | -64.1 | -171 | 133.4 | 0 | 0 | 114.4 | | |
| 92 | N | 47.8 | Very low | 47.7 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | 78.7 | 112.6 | -175.9 | -48.4 | -59.3 | 0 | 0 | 0 | 114.2 | | |
| 93 | A | 46.6 | Very low | 47.7 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | | 85.7 | 139.7 | 67.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 94 | T | 54.2 | Low | 47.6 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | | | cis | -152.7 | 167.9 | 3.5 | -0.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 95 | P | 48.1 | Very low | 47.7 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -92.1 | 160.8 | -166 | 36.6 | -35.9 | 0 | 0 | 0 | 115.9 | | |
| 96 | G | 46.8 | Very low | 47.7 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | -128.4 | 127.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 97 | K | 51 | Low | 47.4 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | 19.9 | 108.6 | 152.3 | -53.6 | 177.5 | -175.4 | 178.6 | 0 | 117.3 | | |
| 98 | R | 42.2 | Very low | 47.5 | Very low | 251 Ų | 251 | 132.7 Ų | 132.7 | 95% | 0.947 | 79% | 0.793 | S | S | * | * | | | | 46.1 | 108.8 | 81.2 | -70.9 | -171.1 | 178.8 | 178.2 | 0.6 | 115.4 | | |
| 99 | S | 44.8 | Very low | 47.3 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | -161.7 | 161.6 | 130.2 | -154.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 100 | S | 51.6 | Low | 47.5 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | trans | -19.2 | 157.6 | 159.2 | 54 | 0 | 0 | 0 | 0 | 120.6 | | |
| 101 | S | 55.3 | Low | 47.3 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | | | cis | -170 | 177.9 | -20.3 | 63.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 102 | D | 48.6 | Very low | 47.2 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 62% | 0.62 | 79% | 0.794 | S | S | * | * | | | trans | 58 | 111.8 | 155.8 | -64.6 | -67 | 0 | 0 | 0 | 122.2 | | |
| 103 | R | 47.2 | Very low | 47 | Very low | 228 Ų | 228 | 139.5 Ų | 139.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | 60.5 | 76.6 | 131.3 | -59.1 | 176.6 | -177 | 178.9 | -0.5 | 117.8 | S105 | R103-S105 PolarHBondContact O-N 3.15Š|
| 104 | Q | 45.4 | Very low | 46.5 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 97% | 0.967 | 80% | 0.796 | S | S | * | * | | | trans | -66.5 | 120.4 | 147.6 | -69.6 | 178.2 | -27.3 | 0 | 0 | 109.8 | | |
| 105 | S | 46.9 | Very low | 46.3 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -136.7 | 155.5 | 165.2 | -167.7 | 0 | 0 | 0 | 0 | 109 | R103 T107 | R103-S105 PolarHBondContact O-N 3.15Å; S105-T107 PolarHBondContact O-N 2.89Å |
| 106 | A | 46.8 | Very low | 45.6 | Very low | 99 Ų | 99 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -65.7 | 127.5 | -153.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A108 | A106-A108 PolarHBondContact O-N 3.3Å; A106-A108 VanDerWaalsContact O-N 3.14Å |
| 107 | T | 41 | Very low | 45.7 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | -73 | 98.2 | 169 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | S105 | S105-T107 PolarHBondContact O-N 2.89Š|
| 108 | A | 48.6 | Very low | 45.2 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | 52.3 | 177.3 | 130.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | A106 | A106-A108 PolarHBondContact O-N 3.3Å; A106-A108 VanDerWaalsContact O-N 3.14Å |
| 109 | P | 47 | Very low | 45.2 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | cis | -134.8 | -156.8 | -2.1 | 35.1 | -11.7 | 0 | 0 | 0 | 114 | | |
| 110 | N | 46.3 | Very low | 45 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | | | trans | 87 | 60 | 155.8 | -59.6 | -13.9 | 0 | 0 | 0 | 120.2 | L112 | N110-L112 PolarHBondContact O-N 3.16Š|
| 111 | T | 42.6 | Very low | 44.3 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | | 20.2 | 86.6 | 114.4 | -34.7 | 0 | 0 | 0 | 0 | 117.8 | R113 | T111-R113 HydrophobicContact CG2-CB 4.23Å; T111-R113 PolarHBondContact O-N 2.85Å |
| 112 | L | 43.3 | Very low | 43.8 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | | | trans | -77.2 | 97.4 | 163.2 | -83.4 | 168.7 | 0 | 0 | 0 | 110.4 | N110 | N110-L112 PolarHBondContact O-N 3.16Š|
| 113 | R | 43.3 | Very low | 43.6 | Very low | 212 Ų | 212 | 140.9 Ų | 140.9 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | | | trans | -129 | 111.8 | 177.2 | -132.7 | 176.7 | -176.9 | 174 | 0.2 | 111.4 | T111 | T111-R113 HydrophobicContact CG2-CB 4.23Å; T111-R113 PolarHBondContact O-N 2.85Å |
| 114 | S | 35.8 | Very low | 43.7 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | 38.7 | 87.8 | 150.5 | -179.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 115 | I | 49.5 | Very low | 43.8 | Very low | 156 Ų | 156 | 131 Ų | 131 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | -134.1 | 112 | 154.9 | -55.4 | 179.4 | 0 | 0 | 0 | 108.8 | | |
| 116 | S | 34.4 | Very low | 44 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -97.6 | 114.9 | 168.4 | -67 | 0 | 0 | 0 | 0 | 109.4 | | |
| 117 | P | 48.5 | Very low | 43.9 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | -101.7 | 85.5 | 179.9 | 35.4 | -28.3 | 0 | 0 | 0 | 111.5 | G119 | P117-G119 PolarHBondContact O-N 2.95Š|
| 118 | T | 41.1 | Very low | 44.6 | Very low | 154 Ų | 154 | 129 Ų | 129 | 95% | 0.945 | 77% | 0.772 | S | S | * | * | | | trans | -71.4 | 80.7 | 158.5 | -56.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 119 | G | 40.9 | Very low | 44.6 | Very low | 55 Ų | 55 | 132.5 Ų | 132.5 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | | | trans | -166 | 88.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115 | P117 | P117-G119 PolarHBondContact O-N 2.95Š|
| 120 | S | 40.6 | Very low | 44.8 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | 30.2 | 143.9 | 139.6 | 60.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 121 | A | 38 | Very low | 45.2 | Very low | 84 Ų | 84 | 131 Ų | 131 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | trans | 85.4 | 89.8 | 149 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 122 | L | 44.4 | Very low | 45.6 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 93% | 0.927 | 77% | 0.765 | S | S | * | * | | | | 48.8 | 76.6 | 126.3 | -59.3 | 173.5 | 0 | 0 | 0 | 118.2 | | |
| 123 | R | 44.8 | Very low | 46.4 | Very low | 246 Ų | 246 | 124.4 Ų | 124.4 | 93% | 0.928 | 75% | 0.749 | S | S | * | * | | | trans | -153 | 138.4 | 157.6 | -120.2 | 171.1 | -172.8 | -124.9 | -0.8 | 115.4 | | |
| 124 | A | 49.1 | Very low | 47 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | | | trans | 62.8 | 129.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 125 | N | 46.5 | Very low | 47.9 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | | | trans | -76.7 | 123.9 | 167 | 168.9 | 37.7 | 0 | 0 | 0 | 110.4 | C127 | N125-C127 PolarHBondContact ND2-SG 3.02Å; N125-C127 PolarHBondContact O-N 3.24Å |
| 126 | P | 51.5 | Low | 48 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | | | trans | -81.8 | 78 | -177.9 | 33.8 | -35.9 | 0 | 0 | 0 | 112.4 | S128 | P126-S128 VanDerWaalsContact C-N 3.35Å; P126-S128 PolarHBondContact O-N 3.48Å |
| 127 | C | 44.9 | Very low | 49.3 | Very low | 89 Ų | 89 | 120.2 Ų | 120.2 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | | | trans | -72.3 | 90.2 | 161.8 | -74.4 | 0 | 0 | 0 | 0 | 109.5 | N125 E129 | N125-C127 PolarHBondContact ND2-SG 3.02Å; N125-C127 PolarHBondContact O-N 3.24Å; C127-E129 PolarHBondContact O-N 3.36Å |
| 128 | S | 54.8 | Low | 49.6 | Very low | 106 Ų | 106 | 119 Ų | 119 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | | | trans | -59.8 | 132.5 | -178.1 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | P126 G130 | P126-S128 VanDerWaalsContact C-N 3.35Å; P126-S128 PolarHBondContact O-N 3.48Å; S128-G130 PolarHBondContact O-N 3.12Å |
| 129 | E | 48.5 | Very low | 50.4 | Low | 155 Ų | 155 | 117.9 Ų | 117.9 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 104.8 | -176.5 | -178 | 146.9 | -125.4 | 0 | 0 | 110.6 | C127 R136 | C127-E129 PolarHBondContact O-N 3.36Å; E129-R136 IonicContact OE1-CZ 3.19Å; E129-R136 IonicContact OE1-NH1 2.78Å; E129-R136 PolarHBondContact OE1-NH1 2.97Å; E129-R136 IonicContact OE1-NH2 2.69Å; E129-R136 PolarHBondContact OE1-NH2 2.88Å; E129-R136 IonicContact OE2-NH2 3.94Å |
| 130 | G | 52.5 | Low | 51.1 | Low | 72 Ų | 72 | 119.3 Ų | 119.3 | 74% | 0.742 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170.4 | -27 | 172.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | S128 | S128-G130 PolarHBondContact O-N 3.12Š|
| 131 | T | 53.3 | Low | 51.7 | Low | 133 Ų | 133 | 115.9 Ų | 115.9 | 82% | 0.816 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -134.2 | -4 | -156 | -15.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 132 | D | 52.3 | Low | 52.4 | Low | 72 Ų | 72 | 117.2 Ų | 117.2 | 39% | 0.385 | 67% | 0.666 | S | S | . | * | | | trans | -150 | 111.3 | 176.2 | -169.4 | 0.5 | 0 | 0 | 0 | 114.2 | F134 C135 | D132-F134 VanDerWaalsContact C-N 3.28Å; D132-F134 PolarHBondContact O-N 3.44Å; D132-F134 VanDerWaalsContact OD1-CB 3.31Å; D132-F134 WeakPolarHBondContact OD1-CB 3.26Å; D132-F134 WeakPolarHBondContact OD1-CD2 3.37Å; D132-F134 PolarHBondContact OD1-N 3.17Å; D132-C135 HydrophobicContact CB-CB 4.06Å; D132-C135 PolarHBondContact O-N 2.96Å; D132-C135 PolarHBondContact OD2-SG 3.08Å |
| 133 | P | 58.8 | Low | 52.8 | Low | 93 Ų | 93 | 116.1 Ų | 116.1 | 60% | 0.604 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -67.3 | -26.6 | 173.6 | 29.2 | -34.6 | 0 | 0 | 0 | 112.8 | C135 R136 | P133-C135 PolarHBondContact O-N 3.42Å; P133-R136 PolarHBondContact O-N 2.84Å; P133-R136 VanDerWaalsContact O-N 3.16Å |
| 134 | F | 57.5 | Low | 52.7 | Low | 172 Ų | 172 | 111.2 Ų | 111.2 | 75% | 0.754 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -70.8 | -18.6 | 177.3 | -60.4 | -76.7 | 0 | 0 | 0 | 112.4 | D132 | D132-F134 VanDerWaalsContact C-N 3.28Å; D132-F134 PolarHBondContact O-N 3.44Å; D132-F134 VanDerWaalsContact OD1-CB 3.31Å; D132-F134 WeakPolarHBondContact OD1-CB 3.26Å; D132-F134 WeakPolarHBondContact OD1-CD2 3.37Å; D132-F134 PolarHBondContact OD1-N 3.17Å |
| 135 | C | 53.6 | Low | 52.6 | Low | 89 Ų | 89 | 115 Ų | 115 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -84.4 | -2.2 | 172.9 | -74.2 | 0 | 0 | 0 | 0 | 114.2 | D132 P133 | D132-C135 HydrophobicContact CB-CB 4.06Å; D132-C135 PolarHBondContact O-N 2.96Å; D132-C135 PolarHBondContact OD2-SG 3.08Å; P133-C135 PolarHBondContact O-N 3.42Å |
| 136 | R | 51.6 | Low | 52.7 | Low | 167 Ų | 167 | 113.7 Ų | 113.7 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -107.4 | -5.6 | 174.3 | -80.7 | -167 | 169.4 | 178.9 | -2.2 | 115.1 | E129 P133 P138 | E129-R136 IonicContact OE1-CZ 3.19Å; E129-R136 IonicContact OE1-NH1 2.78Å; E129-R136 PolarHBondContact OE1-NH1 2.97Å; E129-R136 IonicContact OE1-NH2 2.69Å; E129-R136 PolarHBondContact OE1-NH2 2.88Å; E129-R136 IonicContact OE2-NH2 3.94Å; P133-R136 PolarHBondContact O-N 2.84Å; P133-R136 VanDerWaalsContact O-N 3.16Å; R136-P138 WeakPolarHBondContact O-CD 3.45Å |
| 137 | L | 61.8 | Low | 52.8 | Low | 83 Ų | 83 | 114.4 Ų | 114.4 | 44% | 0.435 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -75 | 124.6 | 168.1 | -86.1 | 79.5 | 0 | 0 | 0 | 109.8 | L139 L142 | L137-L139 PolarHBondContact O-N 2.78Å; L137-L142 HydrophobicContact CD2-CD2 3.91Å; L137-L142 HydrophobicContact CD2-CG 4.16Å |
| 138 | P | 56.2 | Low | 53.1 | Low | 87 Ų | 87 | 112.3 Ų | 112.3 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | | | trans | -63.1 | 133.8 | 164.2 | 28.1 | -32.5 | 0 | 0 | 0 | 108.3 | R136 S140 A141 | R136-P138 WeakPolarHBondContact O-CD 3.45Å; P138-S140 PolarHBondContact O-N 3.27Å; P138-A141 HydrophobicContact CG-CB 4.35Å; P138-A141 WeakPolarHBondContact O-CB 3.21Å; P138-A141 PolarHBondContact O-N 2.88Å |
| 139 | L | 57.7 | Low | 52.8 | Low | 131 Ų | 131 | 112 Ų | 112 | 69% | 0.686 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -49.8 | -35.2 | -175.7 | -81.5 | 157.1 | 0 | 0 | 0 | 113.1 | L137 A141 L142 F143 | L137-L139 PolarHBondContact O-N 2.78Å; L139-A141 PolarHBondContact O-N 3.46Å; L139-A141 VanDerWaalsContact O-N 3.14Å; L139-L142 PolarHBondContact O-N 3.22Å; L139-L142 VanDerWaalsContact O-N 3.11Å; L139-F143 WeakPolarHBondContact O-CD2 3.49Å |
| 140 | S | 54.3 | Low | 53.2 | Low | 85 Ų | 85 | 109.9 Ų | 109.9 | 59% | 0.594 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -54.5 | -26.9 | 176 | -37.1 | 0 | 0 | 0 | 0 | 114.8 | P138 L142 | P138-S140 PolarHBondContact O-N 3.27Å; S140-L142 VanDerWaalsContact C-N 3.34Å |
| 141 | A | 53.8 | Low | 53.4 | Low | 50 Ų | 50 | 111.5 Ų | 111.5 | 41% | 0.413 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -73 | -24.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P138 L139 | P138-A141 HydrophobicContact CG-CB 4.35Å; P138-A141 WeakPolarHBondContact O-CB 3.21Å; P138-A141 PolarHBondContact O-N 2.88Å; L139-A141 PolarHBondContact O-N 3.46Å; L139-A141 VanDerWaalsContact O-N 3.14Å |
| 142 | L | 53.6 | Low | 54 | Low | 111 Ų | 111 | 107.3 Ų | 107.3 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -88.1 | -10.7 | 179.8 | -66.7 | 174 | 0 | 0 | 0 | 113.5 | L137 L139 S140 | L137-L142 HydrophobicContact CD2-CD2 3.91Å; L137-L142 HydrophobicContact CD2-CG 4.16Å; L139-L142 PolarHBondContact O-N 3.22Å; L139-L142 VanDerWaalsContact O-N 3.11Å; S140-L142 VanDerWaalsContact C-N 3.34Å |
| 143 | F | 52.4 | Low | 54.4 | Low | 155 Ų | 155 | 107.3 Ų | 107.3 | 68% | 0.68 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -2.4 | -179.6 | -68.8 | -75.1 | 0 | 0 | 0 | 114.2 | L139 | L139-F143 WeakPolarHBondContact O-CD2 3.49Š|
| 144 | N | 43.1 | Very low | 54.3 | Low | 143 Ų | 143 | 108.4 Ų | 108.4 | 77% | 0.765 | 58% | 0.578 | S | S | * | * | | | trans | -97.9 | 11.5 | 173 | -96.9 | -36.1 | 0 | 0 | 0 | 113.6 | | |
| 145 | W | 46.8 | Very low | 54.6 | Low | 178 Ų | 178 | 105.2 Ų | 105.2 | 67% | 0.674 | 57% | 0.568 | S | S | * | * | | | trans | -78.3 | 120.2 | 169.7 | -150.1 | -98.3 | 0 | 0 | 0 | 108.5 | E147 A148 | W145-E147 PolarHBondContact NE1-OE2 2.84Å; W145-E147 PolarHBondContact O-N 2.92Å; W145-A148 WeakPolarHBondContact O-CB 3.34Å; W145-A148 PolarHBondContact O-N 3.28Å |
| 146 | P | 48.5 | Very low | 55.1 | Low | 100 Ų | 100 | 109.1 Ų | 109.1 | 65% | 0.649 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -20.6 | -167.4 | 23.5 | -33.8 | 0 | 0 | 0 | 114 | A148 V149 | P146-A148 PolarHBondContact O-N 3.41Å; P146-V149 PolarHBondContact O-N 2.98Å |
| 147 | E | 53.8 | Low | 55.5 | Low | 132 Ų | 132 | 106.6 Ų | 106.6 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -24.8 | 174.2 | -153.7 | 168.3 | -178.5 | 0 | 0 | 113.2 | W145 V149 H150 L151 | W145-E147 PolarHBondContact NE1-OE2 2.84Å; W145-E147 PolarHBondContact O-N 2.92Å; E147-V149 VanDerWaalsContact C-N 3.31Å; E147-V149 PolarHBondContact O-N 2.99Å; E147-H150 PolarHBondContact O-N 3.44Å; E147-L151 WeakPolarHBondContact O-CD1 3.46Å |
| 148 | A | 50.3 | Low | 55.5 | Low | 44 Ų | 44 | 108.4 Ų | 108.4 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.6 | -23.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | W145 P146 H150 L151 | W145-A148 WeakPolarHBondContact O-CB 3.34Å; W145-A148 PolarHBondContact O-N 3.28Å; P146-A148 PolarHBondContact O-N 3.41Å; A148-H150 VanDerWaalsContact C-N 3.29Å; A148-H150 PolarHBondContact O-N 3.37Å; A148-L151 PolarHBondContact O-N 2.99Å |
| 149 | V | 48.9 | Very low | 55.5 | Low | 99 Ų | 99 | 107.6 Ų | 107.6 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.9 | -42.6 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | P146 E147 L151 G152 | P146-V149 PolarHBondContact O-N 2.98Å; E147-V149 VanDerWaalsContact C-N 3.31Å; E147-V149 PolarHBondContact O-N 2.99Å; V149-L151 PolarHBondContact O-N 3.43Å; V149-G152 PolarHBondContact O-N 3.43Å |
| 150 | H | 57.1 | Low | 55.4 | Low | 111 Ų | 111 | 110 Ų | 110 | 51% | 0.514 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -78.1 | -15 | -175.5 | -55.8 | -50.9 | 0 | 0 | 0 | 114.1 | E147 A148 G152 D153 L154 | E147-H150 PolarHBondContact O-N 3.44Å; A148-H150 VanDerWaalsContact C-N 3.29Å; A148-H150 PolarHBondContact O-N 3.37Å; H150-G152 VanDerWaalsContact C-N 3.27Å; H150-G152 PolarHBondContact O-N 3.38Å; H150-D153 PolarHBondContact O-N 3.39Å; H150-L154 WeakPolarHBondContact O-CB 3.17Å; H150-L154 VanDerWaalsContact O-CD1 3.31Å; H150-L154 WeakPolarHBondContact O-CD1 3.42Å; H150-L154 PolarHBondContact O-N 3.42Å |
| 151 | L | 56.9 | Low | 55.3 | Low | 106 Ų | 106 | 107.9 Ų | 107.9 | 56% | 0.555 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.9 | -33.7 | 171.4 | -91.8 | 74.2 | 0 | 0 | 0 | 111.7 | E147 A148 V149 L155 | E147-L151 WeakPolarHBondContact O-CD1 3.46Å; A148-L151 PolarHBondContact O-N 2.99Å; V149-L151 PolarHBondContact O-N 3.43Å; L151-L155 WeakPolarHBondContact O-CB 3.32Å; L151-L155 WeakPolarHBondContact O-CG 3.41Å; L151-L155 PolarHBondContact O-N 2.91Å; L151-L155 VanDerWaalsContact O-N 3.08Å |
| 152 | G | 65.2 | Low | 55.2 | Low | 46 Ų | 46 | 107.5 Ų | 107.5 | 47% | 0.474 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V149 H150 R156 | V149-G152 PolarHBondContact O-N 3.43Å; H150-G152 VanDerWaalsContact C-N 3.27Å; H150-G152 PolarHBondContact O-N 3.38Å; G152-R156 VanDerWaalsContact O-CB 3.22Å; G152-R156 WeakPolarHBondContact O-CB 3.31Å; G152-R156 PolarHBondContact O-N 3.34Å |
| 153 | D | 59.9 | Low | 54.9 | Low | 71 Ų | 71 | 106.8 Ų | 106.8 | 38% | 0.38 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.9 | -41.5 | 178.8 | -68.7 | -42 | 0 | 0 | 0 | 112.8 | H150 L155 R156 I157 | H150-D153 PolarHBondContact O-N 3.39Å; D153-L155 VanDerWaalsContact C-N 3.35Å; D153-L155 PolarHBondContact O-N 3.02Å; D153-R156 PolarHBondContact O-N 2.93Å; D153-I157 WeakPolarHBondContact O-CB 3.25Å; D153-I157 WeakPolarHBondContact O-CD1 3.41Å; D153-I157 WeakPolarHBondContact O-CG1 3.47Å; D153-I157 PolarHBondContact O-N 3.01Å |
| 154 | L | 57.9 | Low | 54.8 | Low | 117 Ų | 117 | 105.2 Ų | 105.2 | 61% | 0.613 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.7 | -45.2 | 174.4 | -98.7 | 72.2 | 0 | 0 | 0 | 111.5 | H150 W158 | H150-L154 WeakPolarHBondContact O-CB 3.17Å; H150-L154 VanDerWaalsContact O-CD1 3.31Å; H150-L154 WeakPolarHBondContact O-CD1 3.42Å; H150-L154 PolarHBondContact O-N 3.42Å; L154-W158 VanDerWaalsContact O-CB 3.25Å; L154-W158 WeakPolarHBondContact O-CB 3.35Å; L154-W158 PolarHBondContact O-N 3.25Å |
| 155 | L | 64.3 | Low | 54.9 | Low | 104 Ų | 104 | 104.4 Ų | 104.4 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | 176 | -71.8 | 170.4 | 0 | 0 | 0 | 111.9 | L151 D153 W158 V159 | L151-L155 WeakPolarHBondContact O-CB 3.32Å; L151-L155 WeakPolarHBondContact O-CG 3.41Å; L151-L155 PolarHBondContact O-N 2.91Å; L151-L155 VanDerWaalsContact O-N 3.08Å; D153-L155 VanDerWaalsContact C-N 3.35Å; D153-L155 PolarHBondContact O-N 3.02Å; L155-W158 PolarHBondContact O-N 2.89Å; L155-V159 WeakPolarHBondContact O-CB 3.31Å; L155-V159 VanDerWaalsContact O-CG2 3.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.43Å; L155-V159 PolarHBondContact O-N 3.33Å |
| 156 | R | 64.2 | Low | 54.7 | Low | 171 Ų | 171 | 105.9 Ų | 105.9 | 65% | 0.645 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.8 | -38.3 | 178.1 | -170.1 | 179.7 | -169.7 | -175.5 | 4 | 112.9 | G152 D153 R160 | G152-R156 VanDerWaalsContact O-CB 3.22Å; G152-R156 WeakPolarHBondContact O-CB 3.31Å; G152-R156 PolarHBondContact O-N 3.34Å; D153-R156 PolarHBondContact O-N 2.93Å; R156-R160 PolarHBondContact O-N 3.16Å |
| 157 | I | 59.4 | Low | 54.1 | Low | 115 Ų | 115 | 103.1 Ų | 103.1 | 59% | 0.59 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.9 | -46.8 | 173.3 | -69 | 164.3 | 0 | 0 | 0 | 109.5 | D153 R160 A161 | D153-I157 WeakPolarHBondContact O-CB 3.25Å; D153-I157 WeakPolarHBondContact O-CD1 3.41Å; D153-I157 WeakPolarHBondContact O-CG1 3.47Å; D153-I157 PolarHBondContact O-N 3.01Å; I157-R160 PolarHBondContact O-N 3.04Å; I157-A161 WeakPolarHBondContact O-CB 3.49Å; I157-A161 PolarHBondContact O-N 3.35Å |
| 158 | W | 61.3 | Low | 53.5 | Low | 120 Ų | 120 | 105.7 Ų | 105.7 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.1 | -42.3 | -178.8 | -166.9 | 58.6 | 0 | 0 | 0 | 112.5 | Y16 L154 L155 R160 A161 S162 | Y16-W158 WeakPolarHBondContact OH-CH2 3.36Å; Y16-W158 WeakPolarHBondContact OH-CZ3 3.48Å; L154-W158 VanDerWaalsContact O-CB 3.25Å; L154-W158 WeakPolarHBondContact O-CB 3.35Å; L154-W158 PolarHBondContact O-N 3.25Å; L155-W158 PolarHBondContact O-N 2.89Å; W158-R160 VanDerWaalsContact C-N 3.32Å; W158-R160 PolarHBondContact O-N 3.33Å; W158-A161 PolarHBondContact O-N 3.14Å; W158-A161 VanDerWaalsContact O-N 3.16Å; W158-S162 PolarHBondContact O-N 3.11Å; W158-S162 PolarHBondContact O-OG 3.08Å |
| 159 | V | 55.8 | Low | 52.8 | Low | 71 Ų | 71 | 106.3 Ų | 106.3 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.5 | -41.6 | 172.6 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | L155 T163 | L155-V159 WeakPolarHBondContact O-CB 3.31Å; L155-V159 VanDerWaalsContact O-CG2 3.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.43Å; L155-V159 PolarHBondContact O-N 3.33Å; V159-T163 PolarHBondContact O-N 3.16Å; V159-T163 VanDerWaalsContact O-N 3.15Å; V159-T163 PolarHBondContact O-OG1 2.83Å |
| 160 | R | 55.4 | Low | 52.2 | Low | 182 Ų | 182 | 110.3 Ų | 110.3 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.1 | -36.1 | 174.4 | -90.6 | -176.5 | 159.8 | -174.3 | -7.3 | 113.5 | R156 I157 W158 T163 N164 | R156-R160 PolarHBondContact O-N 3.16Å; I157-R160 PolarHBondContact O-N 3.04Å; W158-R160 VanDerWaalsContact C-N 3.32Å; W158-R160 PolarHBondContact O-N 3.33Å; R160-T163 WeakPolarHBondContact CA-OG1 3.45Å; R160-T163 PolarHBondContact O-N 3.29Å; R160-T163 PolarHBondContact O-OG1 3.03Å; R160-N164 PolarHBondContact O-N 3.46Å; R160-N164 PolarHBondContact O-ND2 2.96Å |
| 161 | A | 53.3 | Low | 51.1 | Low | 39 Ų | 39 | 111 Ų | 111 | 32% | 0.322 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.9 | -47.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I157 W158 T163 N164 L165 | I157-A161 WeakPolarHBondContact O-CB 3.49Å; I157-A161 PolarHBondContact O-N 3.35Å; W158-A161 PolarHBondContact O-N 3.14Å; W158-A161 VanDerWaalsContact O-N 3.16Å; A161-T163 PolarHBondContact O-N 2.76Å; A161-N164 PolarHBondContact O-N 3.21Å; A161-L165 PolarHBondContact O-N 3.15Å |
| 162 | S | 50.3 | Low | 50.7 | Low | 43 Ų | 43 | 117.2 Ų | 117.2 | 30% | 0.301 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.2 | -27.5 | 175.9 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | W158 Y166 | W158-S162 PolarHBondContact O-N 3.11Å; W158-S162 PolarHBondContact O-OG 3.08Å; S162-Y166 WeakPolarHBondContact O-CD2 3.34Å |
| 163 | T | 48.1 | Very low | 49.3 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 59% | 0.589 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -12.4 | 171.7 | 50.8 | 0 | 0 | 0 | 0 | 115.1 | V159 R160 A161 | V159-T163 PolarHBondContact O-N 3.16Å; V159-T163 VanDerWaalsContact O-N 3.15Å; V159-T163 PolarHBondContact O-OG1 2.83Å; R160-T163 WeakPolarHBondContact CA-OG1 3.45Å; R160-T163 PolarHBondContact O-N 3.29Å; R160-T163 PolarHBondContact O-OG1 3.03Å; A161-T163 PolarHBondContact O-N 2.76Å |
| 164 | N | 49.8 | Very low | 48.5 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 65% | 0.652 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -23.9 | 175.2 | -78.1 | -84.3 | 0 | 0 | 0 | 113.1 | R160 A161 Y166 | R160-N164 PolarHBondContact O-N 3.46Å; R160-N164 PolarHBondContact O-ND2 2.96Å; A161-N164 PolarHBondContact O-N 3.21Å; N164-Y166 VanDerWaalsContact C-N 3.26Å; N164-Y166 PolarHBondContact O-N 2.82Å |
| 165 | L | 46.3 | Very low | 47.5 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 66% | 0.66 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -1.8 | 179.5 | -72 | 164.9 | 0 | 0 | 0 | 114.6 | A161 | A161-L165 PolarHBondContact O-N 3.15Š|
| 166 | Y | 41.3 | Very low | 46.5 | Very low | 209 Ų | 209 | 127.4 Ų | 127.4 | 82% | 0.82 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 54.3 | 172 | -63 | -74.1 | 0 | 0 | 0 | 110.3 | S162 N164 | S162-Y166 WeakPolarHBondContact O-CD2 3.34Å; N164-Y166 VanDerWaalsContact C-N 3.26Å; N164-Y166 PolarHBondContact O-N 2.82Å |
| 167 | G | 36.8 | Very low | 45.5 | Very low | 41 Ų | 41 | 125.6 Ų | 125.6 | 42% | 0.423 | 67% | 0.67 | S | S | . | * | | | trans | -135.5 | -2.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 118 | G169 | G167-G169 VanDerWaalsContact C-N 3.29Å; G167-G169 PolarHBondContact O-N 3.01Å |
| 168 | L | 40.2 | Very low | 44.6 | Very low | 186 Ų | 186 | 125.8 Ų | 125.8 | 97% | 0.974 | 68% | 0.679 | S | S | * | * | | | trans | -72 | 83.3 | 170.2 | -82 | 85.7 | 0 | 0 | 0 | 109.7 | | |
| 169 | G | 36.3 | Very low | 43.7 | Very low | 58 Ų | 58 | 127.7 Ų | 127.7 | 60% | 0.598 | 70% | 0.698 | S | S | * | * | | | trans | 179.7 | 22.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | G167 | G167-G169 VanDerWaalsContact C-N 3.29Å; G167-G169 PolarHBondContact O-N 3.01Å |
| 170 | F | 35.4 | Very low | 43 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 80% | 0.803 | 71% | 0.711 | S | S | * | * | | | trans | -135.5 | 64.7 | 178 | -69.3 | -69.8 | 0 | 0 | 0 | 113.7 | R172 | F170-R172 PolarHBondContact O-N 3.4Š|
| 171 | S | 35.6 | Very low | 42.3 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | | | trans | -57.1 | 132.3 | 168.6 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 172 | R | 48.5 | Very low | 41.8 | Very low | 236 Ų | 236 | 127.9 Ų | 127.9 | 89% | 0.891 | 74% | 0.737 | S | S | * | * | | | trans | -116 | 116.2 | 166.1 | -59.1 | -176.2 | -161.3 | -117.5 | 1.2 | 107.7 | F170 | F170-R172 PolarHBondContact O-N 3.4Š|
| 173 | T | 34.6 | Very low | 41 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -69.5 | 128.6 | -175.2 | -39.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 174 | V | 44.3 | Very low | 40.7 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | | | trans | -138.3 | 131.8 | 157.4 | 154.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 175 | E | 35.5 | Very low | 40.4 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -81 | 125.7 | 176 | -70.8 | 175.2 | 98.2 | 0 | 0 | 111.2 | | |
| 176 | S | 44.4 | Very low | 40 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | -154.7 | 99 | 152.4 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 177 | V | 43.2 | Very low | 39.8 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | 39.9 | 108.8 | 154.4 | -170.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 178 | P | 41 | Very low | 40 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | trans | -78.6 | 145 | 171.5 | 33.6 | -33.8 | 0 | 0 | 0 | 111.9 | | |
| 179 | N | 41.4 | Very low | 39.7 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | -159.7 | 124.7 | 151.5 | -116.5 | -28.4 | 0 | 0 | 0 | 113.4 | | |
| 180 | A | 40.5 | Very low | 40.2 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | | | trans | 57 | 128.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 181 | T | 41 | Very low | 40.5 | Very low | 146 Ų | 146 | 132 Ų | 132 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | | | trans | 84.7 | 126.1 | 147.8 | -46.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 182 | G | 43 | Very low | 40.7 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | | | trans | 97.7 | 93.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A184 | G182-A184 PolarHBondContact O-N 2.69Š|
| 183 | D | 33.2 | Very low | 40.3 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -65 | 124.1 | 160.2 | -174.7 | 3.9 | 0 | 0 | 0 | 109.1 | A185 | D183-A185 PolarHBondContact OD1-N 2.84Š|
| 184 | A | 43 | Very low | 40.2 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | | | trans | -139.4 | 52.9 | -173 | 0 | 0 | 0 | 0 | 0 | 110.5 | G182 F186 | G182-A184 PolarHBondContact O-N 2.69Å; A184-F186 PolarHBondContact O-N 2.78Å; A184-F186 VanDerWaalsContact O-N 3.16Å |
| 185 | A | 43.8 | Very low | 39.9 | Very low | 86 Ų | 86 | 123.7 Ų | 123.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -57.7 | 115.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D183 C187 | D183-A185 PolarHBondContact OD1-N 2.84Å; A185-C187 PolarHBondContact O-N 3.44Å |
| 186 | F | 36.5 | Very low | 39.8 | Very low | 209 Ų | 209 | 124.2 Ų | 124.2 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | trans | -65.4 | 100.4 | 176.6 | -81.4 | -96.7 | 0 | 0 | 0 | 111 | A184 | A184-F186 PolarHBondContact O-N 2.78Å; A184-F186 VanDerWaalsContact O-N 3.16Å |
| 187 | C | 38.7 | Very low | 39.3 | Very low | 121 Ų | 121 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -72.9 | 137.4 | 166.8 | -160.8 | 0 | 0 | 0 | 0 | 109.8 | A185 D189 | A185-C187 PolarHBondContact O-N 3.44Å; C187-D189 PolarHBondContact O-N 2.98Å |
| 188 | G | 40.7 | Very low | 39.2 | Very low | 69 Ų | 69 | 122.5 Ų | 122.5 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | -90.1 | 99.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I190 | G188-I190 PolarHBondContact O-N 2.94Š|
| 189 | D | 33.4 | Very low | 39 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -67.7 | 88.4 | 172 | -81.4 | -37.8 | 0 | 0 | 0 | 112.3 | C187 | C187-D189 PolarHBondContact O-N 2.98Š|
| 190 | I | 46.6 | Very low | 39.2 | Very low | 152 Ų | 152 | 119.7 Ų | 119.7 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | trans | -121.2 | 94.4 | 161.1 | -58.7 | -177.2 | 0 | 0 | 0 | 107.7 | G188 A192 | G188-I190 PolarHBondContact O-N 2.94Å; I190-A192 PolarHBondContact O-N 3.24Å; I190-A192 VanDerWaalsContact O-N 3.08Å |
| 191 | V | 41.9 | Very low | 39.1 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | | | trans | -62.3 | 107.7 | -170.9 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | I193 | V191-I193 HydrophobicContact CG1-CG1 3.94Å; V191-I193 PolarHBondContact O-N 3.25Å |
| 192 | A | 40.3 | Very low | 38.7 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -79.9 | 101.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I190 | I190-A192 PolarHBondContact O-N 3.24Å; I190-A192 VanDerWaalsContact O-N 3.08Å |
| 193 | I | 39 | Very low | 38.9 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -75.5 | 131.8 | -174.3 | -54.5 | 173.3 | 0 | 0 | 0 | 111.3 | V191 | V191-I193 HydrophobicContact CG1-CG1 3.94Å; V191-I193 PolarHBondContact O-N 3.25Å |
| 194 | S | 33.8 | Very low | 39.5 | Very low | 125 Ų | 125 | 123 Ų | 123 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | 80.3 | 113.6 | 169 | -158.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 195 | G | 38 | Very low | 39.7 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | 157.6 | 78.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P197 | G195-P197 WeakPolarHBondContact O-CD 3.32Š|
| 196 | Q | 31.9 | Very low | 39.9 | Very low | 198 Ų | 198 | 133.6 Ų | 133.6 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 132.8 | -178.9 | -73.8 | -171.3 | -94.5 | 0 | 0 | 113.1 | | |
| 197 | P | 35.4 | Very low | 40.4 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 151.3 | 152.5 | 35.1 | -29.7 | 0 | 0 | 0 | 111.2 | G195 | G195-P197 WeakPolarHBondContact O-CD 3.32Š|
| 198 | G | 39.6 | Very low | 40.9 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 158.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 199 | S | 37.5 | Very low | 41.5 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90 | 128.7 | -176.6 | -176.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 200 | S | 46 | Very low | 42 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -166 | 95.7 | 147.7 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 201 | D | 37.6 | Very low | 41.6 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | 44.6 | 139 | 141 | -47.4 | -35.3 | 0 | 0 | 0 | 122.6 | | |
| 202 | C | 33 | Very low | 41.4 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -103 | 151.8 | -177.9 | -42.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 203 | V | 46.2 | Very low | 41.4 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | trans | -152.7 | 120.6 | 136.6 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 204 | P | 46.2 | Very low | 41.2 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 151.6 | 157.7 | 34.9 | -31 | 0 | 0 | 0 | 111 | | |
| 205 | Y | 48.3 | Very low | 41.6 | Very low | 207 Ų | 207 | 134.9 Ų | 134.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 151.7 | -176.1 | 66 | -88.8 | 0 | 0 | 0 | 113.1 | | |
| 206 | E | 47.7 | Very low | 41.7 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 133.1 | 174.6 | -75.8 | -70.6 | 159.9 | 0 | 0 | 110.9 | | |
| 207 | E | 47 | Very low | 42.1 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 123.2 | 171.9 | -167.5 | -174 | 142.5 | 0 | 0 | 111.2 | | |
| 208 | K | 48 | Very low | 42.1 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 120.9 | -173.7 | 178.2 | -176 | 177.1 | -177.9 | 0 | 112.3 | | |
| 209 | K | 54.4 | Low | 42.2 | Very low | 194 Ų | 194 | 135 Ų | 135 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -132.8 | 111.7 | 165.9 | -133.1 | 162.1 | -168 | 156.9 | 0 | 111.5 | | |
| 210 | T | 44.2 | Very low | 42.5 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 64% | 0.644 | 80% | 0.796 | S | S | * | * | | | trans | -102.5 | 139.5 | -173.7 | -55 | 0 | 0 | 0 | 0 | 110.9 | | |
| 211 | L | 37.6 | Very low | 41.9 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | -126.9 | 122.1 | 171.6 | -78.3 | 173 | 0 | 0 | 0 | 110.5 | | |
| 212 | S | 37.8 | Very low | 42.2 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -170.1 | 136.9 | 153.7 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 213 | G | 40 | Very low | 42.7 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | 178.2 | 92.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 214 | T | 34.8 | Very low | 42.4 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | | | trans | -84.5 | 143.1 | -170.1 | -45.7 | 0 | 0 | 0 | 0 | 113 | | |
| 215 | A | 42.4 | Very low | 42 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | | | trans | 170.8 | 146.6 | 131.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 216 | D | 41.1 | Very low | 41.7 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | 50.5 | 138.5 | 151 | -49.1 | -26.2 | 0 | 0 | 0 | 121.9 | | |
| 217 | G | 39.8 | Very low | 41.2 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | cis | 166.9 | 166.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 218 | C | 35.2 | Very low | 41.1 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | | | trans | 69.4 | 140.8 | 169.5 | -153.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 219 | S | 41.6 | Very low | 40.8 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | cis | -160.5 | 167.3 | -23.2 | -94.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 220 | P | 43.8 | Very low | 40.3 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -110.9 | -170.5 | -163.7 | 42.6 | -36.5 | 0 | 0 | 0 | 116.7 | | |
| 221 | S | 33.1 | Very low | 40.6 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | 90 | 140.4 | 175.3 | -149.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 222 | S | 45.2 | Very low | 40.6 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | | | cis | -147 | 164.3 | 24.7 | -59.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 223 | E | 43.1 | Very low | 40.5 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | 34.1 | 150.5 | 141.8 | -60.1 | -177.2 | 129.1 | 0 | 0 | 121.1 | | |
| 224 | A | 38.5 | Very low | 40.5 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | cis | -168.7 | 178.3 | 10.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 225 | L | 39.3 | Very low | 40.7 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | | | cis | -158.4 | 158.4 | -8.7 | -109.7 | 166.4 | 0 | 0 | 0 | 107 | | |
| 226 | P | 41.6 | Very low | 40.7 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | | | trans | -114.5 | 164.6 | -165.1 | 41.7 | -35.1 | 0 | 0 | 0 | 118.4 | | |
| 227 | R | 37.6 | Very low | 40.9 | Very low | 249 Ų | 249 | 135 Ų | 135 | 94% | 0.94 | 81% | 0.809 | S | S | * | * | | | trans | 73.1 | 127.4 | 161.5 | -66.4 | -179.8 | 174.9 | 176.8 | -0.8 | 121.1 | | |
| 228 | A | 43.5 | Very low | 41.3 | Very low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -156.1 | 156.5 | 139.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 229 | P | 43.3 | Very low | 41.7 | Very low | 127 Ų | 127 | 142 Ų | 142 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -111.3 | 176.6 | -163.8 | 41.2 | -34.4 | 0 | 0 | 0 | 117.3 | | |
| 230 | V | 42.7 | Very low | 41.9 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | | | trans | -84.2 | 141.7 | -172.4 | -151.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 231 | P | 49.9 | Very low | 42.1 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | | | trans | -88.7 | 160.7 | 163 | 35.2 | -33.4 | 0 | 0 | 0 | 112.9 | | |
| 232 | R | 37.8 | Very low | 42.7 | Very low | 246 Ų | 246 | 144 Ų | 144 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | | | trans | -120.7 | 163.1 | -172.7 | -136.2 | -179.8 | -173 | 175.9 | 1.8 | 111.8 | | |
| 233 | A | 36.5 | Very low | 43.1 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | | | trans | 73.9 | 123.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 234 | S | 40.7 | Very low | 43.3 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | | | trans | -157.8 | 101.9 | 136.4 | -175 | 0 | 0 | 0 | 0 | 108.6 | | |
| 235 | S | 37.7 | Very low | 43.9 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | | | trans | -90.2 | 134.6 | 173.8 | 46.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 236 | R | 43.8 | Very low | 44.9 | Very low | 246 Ų | 246 | 139.8 Ų | 139.8 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | | | trans | -141.3 | 123.9 | 169.4 | -140.8 | 171.6 | -168.9 | 168.8 | 3.8 | 110.6 | | |
| 237 | A | 44.6 | Very low | 45.7 | Very low | 84 Ų | 84 | 140.8 Ų | 140.8 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | | | trans | -92.9 | 148.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 238 | N | 47.8 | Very low | 46.5 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | | | trans | -142.4 | 111.3 | 138.9 | -88.6 | -46.8 | 0 | 0 | 0 | 105.8 | | |
| 239 | R | 44.8 | Very low | 46.9 | Very low | 218 Ų | 218 | 139.1 Ų | 139.1 | 82% | 0.823 | 80% | 0.798 | S | S | * | * | | | | 70.5 | 112.6 | 97.8 | -76.4 | -174.4 | 174.1 | 84.4 | 0.9 | 111.7 | | |
| 240 | A | 44 | Very low | 47.2 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | | | trans | -69.8 | 146.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 241 | D | 48.2 | Very low | 47.5 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | -132 | 140 | 153.7 | -169 | 8.8 | 0 | 0 | 0 | 106.9 | | |
| 242 | S | 46.7 | Very low | 47.3 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -122.4 | 88.5 | -168.4 | 57.4 | 0 | 0 | 0 | 0 | 110 | | |
| 243 | G | 53.5 | Low | 47.7 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | -108.9 | 132.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E245 | G243-E245 PolarHBondContact O-N 3.2Š|
| 244 | D | 47.2 | Very low | 48.1 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | trans | -69.9 | 85.9 | 173.7 | -79.4 | -61.1 | 0 | 0 | 0 | 112.2 | A246 | D244-A246 PolarHBondContact O-N 3.37Š|
| 245 | E | 51.6 | Low | 47.9 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | | | trans | -71.6 | 92.5 | 166.4 | 178.9 | 73 | -175.6 | 0 | 0 | 109.3 | G243 R248 | G243-E245 PolarHBondContact O-N 3.2Å; E245-R248 IonicContact OE1-CZ 4Å; E245-R248 IonicContact OE1-NE 2.69Å; E245-R248 PolarHBondContact OE1-NE 3.34Å; E245-R248 IonicContact OE1-NH2 3.12Å; E245-R248 PolarHBondContact OE1-NH2 2.87Å; E245-R248 IonicContact OE2-NH2 3.24Å |
| 246 | A | 59.7 | Low | 47.9 | Very low | 73 Ų | 73 | 145.9 Ų | 145.9 | 60% | 0.603 | 77% | 0.77 | S | S | * | * | | | trans | -55.8 | 146.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D244 R248 | D244-A246 PolarHBondContact O-N 3.37Å; A246-R248 PolarHBondContact O-N 3.22Å |
| 247 | P | 57.9 | Low | 47.4 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | | | trans | -60.5 | 103.6 | -172.7 | -24.8 | 34.6 | 0 | 0 | 0 | 113.1 | | |
| 248 | R | 55.1 | Low | 46.8 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | trans | -55.3 | 133.3 | 179.1 | -63.9 | -169.3 | -174.9 | -150.5 | -0.7 | 110.3 | E245 A246 R250 | E245-R248 IonicContact OE1-CZ 4Å; E245-R248 IonicContact OE1-NE 2.69Å; E245-R248 PolarHBondContact OE1-NE 3.34Å; E245-R248 IonicContact OE1-NH2 3.12Å; E245-R248 PolarHBondContact OE1-NH2 2.87Å; E245-R248 IonicContact OE2-NH2 3.24Å; A246-R248 PolarHBondContact O-N 3.22Å; R248-R250 PolarHBondContact O-N 2.82Å |
| 249 | P | 50.8 | Low | 46.2 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | | | trans | -62.3 | 113.4 | -174.6 | 23.9 | -33.6 | 0 | 0 | 0 | 110.3 | K251 | P249-K251 PolarHBondContact O-N 3.19Å; P249-K251 VanDerWaalsContact O-N 3.07Å |
| 250 | R | 49.6 | Very low | 45.8 | Very low | 237 Ų | 237 | 134 Ų | 134 | 89% | 0.894 | 71% | 0.712 | S | S | * | * | | | trans | -56.9 | 115.9 | 176.2 | -67.5 | -178.3 | 178.8 | 179.6 | -0.3 | 108.5 | R248 R252 | R248-R250 PolarHBondContact O-N 2.82Å; R250-R252 PolarHBondContact O-N 3.07Å; R250-R252 VanDerWaalsContact O-N 3.12Å |
| 251 | K | 49.1 | Very low | 45.4 | Very low | 206 Ų | 206 | 135.3 Ų | 135.3 | 90% | 0.896 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 121.3 | 173.3 | -72.2 | -176.2 | 176.8 | -179.4 | 0 | 108.2 | P249 | P249-K251 PolarHBondContact O-N 3.19Å; P249-K251 VanDerWaalsContact O-N 3.07Å |
| 252 | R | 45.6 | Very low | 44.9 | Very low | 217 Ų | 217 | 132.2 Ų | 132.2 | 82% | 0.819 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 139.5 | 176.7 | -62.6 | -174.3 | -174 | -174 | 3.3 | 108.7 | R250 | R250-R252 PolarHBondContact O-N 3.07Å; R250-R252 VanDerWaalsContact O-N 3.12Å |
| 253 | P | 45.8 | Very low | 44.3 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 152.2 | 167.8 | 28.9 | -34.6 | 0 | 0 | 0 | 109.6 | E255 | P253-E255 PolarHBondContact O-N 3.08Š|
| 254 | P | 45.8 | Very low | 43.4 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 136.2 | 177.3 | 25.8 | -33.9 | 0 | 0 | 0 | 111.1 | T256 | P254-T256 PolarHBondContact O-N 3.33Å; P254-T256 VanDerWaalsContact O-N 3.11Å |
| 255 | E | 37.6 | Very low | 42.9 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 61% | 0.607 | 66% | 0.657 | S | S | * | * | | | trans | -74.6 | 94.8 | 174.6 | -69.2 | -179.2 | 176.6 | 0 | 0 | 110.2 | P253 R257 | P253-E255 PolarHBondContact O-N 3.08Å; E255-R257 PolarHBondContact O-N 3.29Å; E255-R257 VanDerWaalsContact O-N 3.12Å; E255-R257 IonicContact OE2-CZ 2.81Å; E255-R257 IonicContact OE2-NE 2.7Å; E255-R257 PolarHBondContact OE2-NE 3.05Å; E255-R257 IonicContact OE2-NH2 2.71Å; E255-R257 PolarHBondContact OE2-NH2 3.2Å |
| 256 | T | 37 | Very low | 42.2 | Very low | 93 Ų | 93 | 140 Ų | 140 | 57% | 0.571 | 67% | 0.67 | S | S | * | * | | | trans | -64.3 | 111.2 | 169.2 | -53.3 | 0 | 0 | 0 | 0 | 109.8 | P254 V258 I303 | P254-T256 PolarHBondContact O-N 3.33Å; P254-T256 VanDerWaalsContact O-N 3.11Å; T256-V258 HydrophobicContact CG2-CG2 4.5Å; T256-I303 HydrophobicContact CG2-CG2 4.31Å |
| 257 | R | 32.7 | Very low | 41 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 57% | 0.57 | 67% | 0.674 | S | S | * | * | | | trans | -97.5 | 100.1 | -178.7 | -69.4 | 179.7 | -178.9 | -171.7 | -1.2 | 110.4 | E255 Y259 | E255-R257 PolarHBondContact O-N 3.29Å; E255-R257 VanDerWaalsContact O-N 3.12Å; E255-R257 IonicContact OE2-CZ 2.81Å; E255-R257 IonicContact OE2-NE 2.7Å; E255-R257 PolarHBondContact OE2-NE 3.05Å; E255-R257 IonicContact OE2-NH2 2.71Å; E255-R257 PolarHBondContact OE2-NH2 3.2Å; R257-Y259 HydrophobicContact CB-CE2 3.84Å; R257-Y259 WeakPolarHBondContact O-CD2 3.3Å; R257-Y259 PolarHBondContact O-N 3.43Å |
| 258 | V | 32.7 | Very low | 39.9 | Very low | 66 Ų | 66 | 146.4 Ų | 146.4 | 40% | 0.4 | 68% | 0.678 | S | S | . | * | | | trans | -80.7 | 111 | 176.1 | -177 | 0 | 0 | 0 | 0 | 109.8 | T256 I260 L301 | T256-V258 HydrophobicContact CG2-CG2 4.5Å; V258-I260 HydrophobicContact CG1-CG1 4.23Å; V258-L301 HydrophobicContact CG1-CD2 3.94Å; V258-L301 HydrophobicContact CG1-CG 4.07Å |
| 259 | Y | 35.3 | Very low | 38.9 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 48% | 0.482 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.2 | 173.7 | -67.2 | -87.4 | 0 | 0 | 0 | 110.4 | R257 | R257-Y259 HydrophobicContact CB-CE2 3.84Å; R257-Y259 WeakPolarHBondContact O-CD2 3.3Å; R257-Y259 PolarHBondContact O-N 3.43Å |
| 260 | I | 35.4 | Very low | 38 | Very low | 89 Ų | 89 | 148.2 Ų | 148.2 | 46% | 0.456 | 68% | 0.676 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 106.6 | -179.8 | -55.6 | -179.5 | 0 | 0 | 0 | 109.3 | V258 V262 L299 | V258-I260 HydrophobicContact CG1-CG1 4.23Å; I260-V262 HydrophobicContact CG2-CG2 4.2Å; I260-L299 HydrophobicContact CG2-CD1 3.54Å; I260-L299 HydrophobicContact CG2-CG 4.23Å |
| 261 | F | 36.4 | Very low | 37.2 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.9 | 174 | -75.2 | -90.7 | 0 | 0 | 0 | 111 | | |
| 262 | V | 36.2 | Very low | 36.3 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 58% | 0.582 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 88.5 | 178.9 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | I260 F297 L299 | I260-V262 HydrophobicContact CG2-CG2 4.2Å; V262-F297 HydrophobicContact CG1-CD1 4.48Å; V262-L299 HydrophobicContact CG2-CD1 4.15Å |
| 263 | S | 36 | Very low | 35.5 | Very low | 66 Ų | 66 | 137.5 Ų | 137.5 | 46% | 0.462 | 66% | 0.658 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 113.2 | 179.1 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | F265 | S263-F265 PolarHBondContact O-N 3.32Å |
| 264 | R | 34.8 | Very low | 34.8 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | | | trans | -72.4 | 106.8 | 168.6 | -78.6 | -176.7 | 174.9 | -179.1 | -1.3 | 110.4 | F297 | R264-F297 HydrophobicContact CG-CE1 4.18Š|
| 265 | F | 35.8 | Very low | 34.1 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 58% | 0.579 | 67% | 0.667 | S | S | * | * | | | trans | -80.5 | 122 | 165.6 | -85 | -92.1 | 0 | 0 | 0 | 110.5 | S263 | S263-F265 PolarHBondContact O-N 3.32Š|
| 266 | R | 36.6 | Very low | 33.9 | Very low | 232 Ų | 232 | 144 Ų | 144 | 88% | 0.875 | 68% | 0.676 | S | S | * | * | | | trans | -83.1 | 141.1 | 167.3 | -89.4 | -178.4 | 163.9 | 176.9 | -5.1 | 110 | | |
| 267 | N | 34 | Very low | 33.6 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | | | trans | 57 | 95.4 | 163.8 | -74.4 | -26.1 | 0 | 0 | 0 | 118.9 | | |
| 268 | F | 35.3 | Very low | 33.5 | Very low | 207 Ų | 207 | 155.5 Ų | 155.5 | 91% | 0.908 | 71% | 0.709 | S | S | * | * | | | trans | -99.3 | 45.4 | 141.1 | -91.5 | -81 | 0 | 0 | 0 | 111.6 | | |
| 269 | N | 33.5 | Very low | 33.3 | Very low | 103 Ų | 103 | 156.2 Ų | 156.2 | 55% | 0.551 | 72% | 0.722 | S | S | * | * | | | trans | -102.4 | 69.5 | 171.2 | -90.6 | -31.3 | 0 | 0 | 0 | 110.8 | | |
| 270 | R | 33.3 | Very low | 33.2 | Very low | 249 Ų | 249 | 155.6 Ų | 155.6 | 94% | 0.94 | 74% | 0.742 | S | S | * | * | | | trans | -119.4 | 44.7 | 165.1 | -90.4 | -166.9 | 172.4 | -167.1 | -0.4 | 111 | | |
| 271 | I | 31.5 | Very low | 33.1 | Very low | 132 Ų | 132 | 156 Ų | 156 | 68% | 0.677 | 75% | 0.753 | S | S | * | * | | | trans | -90.1 | 122.5 | 162.7 | -57 | 178.7 | 0 | 0 | 0 | 106.9 | F273 | I271-F273 PolarHBondContact O-N 2.97Š|
| 272 | P | 30.3 | Very low | 32.8 | Very low | 104 Ų | 104 | 159.7 Ų | 159.7 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | trans | -73.6 | 112.3 | -176 | 27.7 | -33.3 | 0 | 0 | 0 | 111.6 | R274 | P272-R274 VanDerWaalsContact C-N 3.27Å; P272-R274 PolarHBondContact O-N 2.91Å |
| 273 | F | 29 | Very low | 32.5 | Very low | 198 Ų | 198 | 159.4 Ų | 159.4 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | | | trans | -67.6 | 77.2 | 171.5 | -73.8 | -90.9 | 0 | 0 | 0 | 111.6 | I271 | I271-F273 PolarHBondContact O-N 2.97Š|
| 274 | R | 31.2 | Very low | 32.2 | Very low | 237 Ų | 237 | 164.9 Ų | 164.9 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | trans | -130.4 | -9.4 | 175.7 | -95.1 | -169.9 | 172.1 | -166.7 | -2.6 | 116.7 | P272 | P272-R274 VanDerWaalsContact C-N 3.27Å; P272-R274 PolarHBondContact O-N 2.91Å |
| 275 | T | 31.9 | Very low | 31.9 | Very low | 127 Ų | 127 | 162.9 Ų | 162.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -104.9 | -8.4 | -170.6 | -27.6 | 0 | 0 | 0 | 0 | 115 | R277 | T275-R277 PolarHBondContact O-N 3.44Š|
| 276 | V | 32 | Very low | 31.7 | Very low | 133 Ų | 133 | 162.6 Ų | 162.6 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 31.8 | -171.3 | -153.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 277 | R | 32.5 | Very low | 31.7 | Very low | 248 Ų | 248 | 161.4 Ų | 161.4 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 8.7 | 175.4 | -87.6 | -165.6 | 178.1 | -168.3 | 0.6 | 114.9 | T275 | T275-R277 PolarHBondContact O-N 3.44Š|
| 278 | R | 28.8 | Very low | 31.7 | Very low | 237 Ų | 237 | 162.1 Ų | 162.1 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -118.5 | -4.4 | -177.7 | -138.9 | 178.9 | -167.5 | -177.5 | 3.3 | 115.8 | | |
| 279 | A | 30.5 | Very low | 31.7 | Very low | 82 Ų | 82 | 158.9 Ų | 158.9 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -90.4 | -13.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S281 | A279-S281 PolarHBondContact O-N 3.29Š|
| 280 | A | 31.8 | Very low | 31.9 | Very low | 109 Ų | 109 | 160.1 Ų | 160.1 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 31.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 281 | S | 34.7 | Very low | 32.3 | Very low | 98 Ų | 98 | 154.2 Ų | 154.2 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | -8.8 | -171.7 | -168.6 | 0 | 0 | 0 | 0 | 115 | A279 | A279-S281 PolarHBondContact O-N 3.29Š|
| 282 | Y | 29.6 | Very low | 32.6 | Very low | 212 Ų | 212 | 152.8 Ų | 152.8 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -131.7 | 141 | 173.3 | -89.1 | -96 | 0 | 0 | 0 | 109.3 | E284 | Y282-E284 PolarHBondContact O-N 3.12Š|
| 283 | G | 28.4 | Very low | 32.9 | Very low | 89 Ų | 89 | 155 Ų | 155 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | | | trans | -79.6 | 100.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 284 | E | 30.6 | Very low | 33.3 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | -125.2 | 152.4 | 170.1 | -118.9 | -174.3 | 148.4 | 0 | 0 | 111.2 | Y282 V286 | Y282-E284 PolarHBondContact O-N 3.12Å; E284-V286 PolarHBondContact O-N 3.22Å |
| 285 | Q | 28.5 | Very low | 33.7 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | trans | -69.9 | 117.9 | -173.5 | -66.9 | -177.2 | 4.3 | 0 | 0 | 111.5 | R287 | Q285-R287 PolarHBondContact O-N 3.33Š|
| 286 | V | 31.4 | Very low | 33.9 | Very low | 126 Ų | 126 | 148 Ų | 148 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | trans | -70 | 92 | 173.2 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | E284 | E284-V286 PolarHBondContact O-N 3.22Š|
| 287 | R | 36.3 | Very low | 34.1 | Very low | 206 Ų | 206 | 147.3 Ų | 147.3 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | | | trans | -65.7 | 134.1 | 162.3 | -73.6 | -172.7 | 173.6 | -166.1 | -0.8 | 109 | Q285 D289 | Q285-R287 PolarHBondContact O-N 3.33Å; R287-D289 VanDerWaalsContact C-N 3.27Å; R287-D289 PolarHBondContact O-N 3.39Å |
| 288 | N | 35 | Very low | 34.3 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | | | trans | -82 | 69.1 | -177 | -70.6 | -73.2 | 0 | 0 | 0 | 111.3 | V290 | N288-V290 VanDerWaalsContact C-N 3.32Å; N288-V290 PolarHBondContact O-N 3.39Å |
| 289 | D | 34.6 | Very low | 34.6 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | | | trans | -74.1 | 84.2 | 176.3 | -74.2 | -19.3 | 0 | 0 | 0 | 111 | R287 T291 | R287-D289 VanDerWaalsContact C-N 3.27Å; R287-D289 PolarHBondContact O-N 3.39Å; D289-T291 VanDerWaalsContact C-N 3.31Å; D289-T291 PolarHBondContact O-N 3.44Å |
| 290 | V | 38.8 | Very low | 35.1 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 79% | 0.788 | 72% | 0.721 | S | S | * | * | | | trans | -70.9 | 84.8 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | N288 P292 | N288-V290 VanDerWaalsContact C-N 3.32Å; N288-V290 PolarHBondContact O-N 3.39Å; V290-P292 VanDerWaalsContact O-CD 3.3Å; V290-P292 WeakPolarHBondContact O-CD 3.45Å |
| 291 | T | 40.2 | Very low | 35.2 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | | | trans | -58.8 | 116.5 | 176.4 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | D289 L293 | D289-T291 VanDerWaalsContact C-N 3.31Å; D289-T291 PolarHBondContact O-N 3.44Å; T291-L293 PolarHBondContact O-N 3.14Å |
| 292 | P | 38.5 | Very low | 35.4 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | | | trans | -75.5 | 121.5 | -177.4 | 28.9 | -33.6 | 0 | 0 | 0 | 111.6 | V290 R294 | V290-P292 VanDerWaalsContact O-CD 3.3Å; V290-P292 WeakPolarHBondContact O-CD 3.45Å; P292-R294 PolarHBondContact O-N 3.43Å |
| 293 | L | 37.3 | Very low | 35.9 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | | | trans | -63.1 | 102.9 | 171.8 | -79.3 | 164.6 | 0 | 0 | 0 | 110.5 | T291 L295 | T291-L293 PolarHBondContact O-N 3.14Å; L293-L295 PolarHBondContact O-N 2.9Å |
| 294 | R | 37.2 | Very low | 36.4 | Very low | 231 Ų | 231 | 134.7 Ų | 134.7 | 87% | 0.872 | 68% | 0.68 | S | S | * | * | | | trans | -69.6 | 92 | 177.2 | -71.7 | -172.1 | 175.9 | -169 | -0.6 | 111.5 | P292 G296 | P292-R294 PolarHBondContact O-N 3.43Å; R294-G296 PolarHBondContact O-N 2.93Å; R294-G296 VanDerWaalsContact O-N 3.16Å |
| 295 | L | 38.1 | Very low | 36.6 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 67% | 0.665 | 67% | 0.672 | S | S | * | * | | | trans | -80.5 | 88.7 | 171.5 | -168.6 | 68.5 | 0 | 0 | 0 | 110.4 | L293 F297 | L293-L295 PolarHBondContact O-N 2.9Å; L295-F297 HydrophobicContact CD2-CE2 3.76Å; L295-F297 HydrophobicContact CD2-CZ 3.69Å; L295-F297 HydrophobicContact CG-CE2 3.89Å; L295-F297 HydrophobicContact CG-CZ 4.1Å |
| 296 | G | 38 | Very low | 37.1 | Very low | 57 Ų | 57 | 129.8 Ų | 129.8 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | | | trans | -75.7 | 127.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R294 | R294-G296 PolarHBondContact O-N 2.93Å; R294-G296 VanDerWaalsContact O-N 3.16Å |
| 297 | F | 36.1 | Very low | 37.4 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 52% | 0.522 | 66% | 0.657 | S | S | . | * | | | trans | -106 | 141 | 167.6 | -64.5 | -91.6 | 0 | 0 | 0 | 109.7 | V262 R264 L295 | V262-F297 HydrophobicContact CG1-CD1 4.48Å; R264-F297 HydrophobicContact CG-CE1 4.18Å; L295-F297 HydrophobicContact CD2-CE2 3.76Å; L295-F297 HydrophobicContact CD2-CZ 3.69Å; L295-F297 HydrophobicContact CG-CE2 3.89Å; L295-F297 HydrophobicContact CG-CZ 4.1Å |
| 298 | R | 35.5 | Very low | 37.5 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 49% | 0.494 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 106.6 | 171.9 | -174.1 | 177.6 | -179.7 | -171.8 | -1.2 | 108.8 | M11 V300 | M11-R298 PolarHBondContact SD-NH2 3.08Å; R298-V300 HydrophobicContact CG-CG2 4.33Å |
| 299 | L | 34.9 | Very low | 37.6 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.7 | 135 | 169.1 | -154.4 | 70.2 | 0 | 0 | 0 | 108.6 | I260 V262 L301 | I260-L299 HydrophobicContact CG2-CD1 3.54Å; I260-L299 HydrophobicContact CG2-CG 4.23Å; V262-L299 HydrophobicContact CG2-CD1 4.15Å; L299-L301 HydrophobicContact CD2-CD1 3.58Å; L299-L301 HydrophobicContact CG-CD1 3.95Å |
| 300 | V | 41.9 | Very low | 37.8 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 41% | 0.412 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 108.8 | 169.1 | -178.3 | 0 | 0 | 0 | 0 | 107.2 | R298 | R298-V300 HydrophobicContact CG-CG2 4.33Å |
| 301 | L | 32.6 | Very low | 37.7 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83 | 133.1 | 163.9 | -89.9 | 73.4 | 0 | 0 | 0 | 108.3 | V258 L299 | V258-L301 HydrophobicContact CG1-CD2 3.94Å; V258-L301 HydrophobicContact CG1-CG 4.07Å; L299-L301 HydrophobicContact CD2-CD1 3.58Å; L299-L301 HydrophobicContact CG-CD1 3.95Å |
| 302 | R | 40.5 | Very low | 37.5 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 58% | 0.577 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 135 | 158.3 | -178.6 | 174.7 | 172.3 | 137 | 5.4 | 107.7 | D304 | R302-D304 WeakPolarHBondContact CD-OD2 3.34Å; R302-D304 IonicContact CZ-OD1 3.59Å; R302-D304 VanDerWaalsContact CZ-OD1 3.24Å; R302-D304 IonicContact CZ-OD2 3.7Å; R302-D304 VanDerWaalsContact NE-CG 3.27Å; R302-D304 IonicContact NE-OD1 3.48Å; R302-D304 PolarHBondContact NE-OD1 3.38Å; R302-D304 IonicContact NE-OD2 2.79Å; R302-D304 PolarHBondContact NE-OD2 3.23Å; R302-D304 IonicContact NH2-OD1 2.93Å; R302-D304 PolarHBondContact NH2-OD1 3.25Å; R302-D304 IonicContact NH2-OD2 3.79Å |
| 303 | I | 39.8 | Very low | 37.5 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | | | trans | -119.1 | 125.7 | 170.8 | -53.1 | 176.5 | 0 | 0 | 0 | 105.2 | T256 | T256-I303 HydrophobicContact CG2-CG2 4.31Š|
| 304 | D | 37.6 | Very low | 37.5 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 77% | 0.765 | 59% | 0.594 | S | S | * | * | | | trans | -117.6 | 0 | 172.2 | -65.1 | -72.5 | 0 | 0 | 0 | 108.5 | R302 | R302-D304 WeakPolarHBondContact CD-OD2 3.34Å; R302-D304 IonicContact CZ-OD1 3.59Å; R302-D304 VanDerWaalsContact CZ-OD1 3.24Å; R302-D304 IonicContact CZ-OD2 3.7Å; R302-D304 VanDerWaalsContact NE-CG 3.27Å; R302-D304 IonicContact NE-OD1 3.48Å; R302-D304 PolarHBondContact NE-OD1 3.38Å; R302-D304 IonicContact NE-OD2 2.79Å; R302-D304 PolarHBondContact NE-OD2 3.23Å; R302-D304 IonicContact NH2-OD1 2.93Å; R302-D304 PolarHBondContact NH2-OD1 3.25Å; R302-D304 IonicContact NH2-OD2 3.79Å |