| 1 | M | 41.2 | Very low | 45.3 | Very low | 249 Ų | 249 | 145.6 Ų | 145.6 | 100% | 1.227 | 84% | 0.835 | S | S | * | * | | | | 0 | 121.7 | 0 | -82.4 | 155.3 | 142.6 | 0 | 0 | 107.6 | | |
| 2 | N | 32.2 | Very low | 45.4 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 81% | 0.807 | 83% | 0.827 | S | S | * | * | | | trans | -99.3 | 122.9 | 177.9 | -159.5 | 13.8 | 0 | 0 | 0 | 107.3 | V4 | N2-V4 PolarHBondContact O-N 3.02Š|
| 3 | P | 54.2 | Low | 45.5 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 65% | 0.649 | 83% | 0.827 | S | S | * | * | | | trans | -68.9 | 119.5 | 179.8 | 26.2 | -30.5 | 0 | 0 | 0 | 109.7 | Y5 | P3-Y5 PolarHBondContact O-N 3.15Š|
| 4 | V | 45.2 | Very low | 45.3 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | | | trans | -71.1 | 115.4 | 172.6 | 177.1 | 0 | 0 | 0 | 0 | 107.7 | N2 S6 | N2-V4 PolarHBondContact O-N 3.02Å; V4-S6 PolarHBondContact O-N 3.38Å |
| 5 | Y | 40.9 | Very low | 45.6 | Very low | 212 Ų | 212 | 140.5 Ų | 140.5 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | | | trans | -75.1 | 119.3 | 170.8 | -88.4 | -87.2 | 0 | 0 | 0 | 109.7 | P3 | P3-Y5 PolarHBondContact O-N 3.15Š|
| 6 | S | 46.2 | Very low | 45.5 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | | | trans | -73.6 | 139.3 | 170.7 | -160.4 | 0 | 0 | 0 | 0 | 110 | V4 V8 | V4-S6 PolarHBondContact O-N 3.38Å; S6-V8 PolarHBondContact O-N 3.34Å |
| 7 | P | 48.9 | Very low | 45.9 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -71.5 | 114 | 175.6 | 27.8 | -31 | 0 | 0 | 0 | 110 | | |
| 8 | V | 49.9 | Very low | 46.1 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | -67.5 | 133.5 | 172.4 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | S6 | S6-V8 PolarHBondContact O-N 3.34Š|
| 9 | Q | 42.1 | Very low | 46.2 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -54.6 | 140.5 | -178.7 | -70.1 | -178.5 | -67.3 | 0 | 0 | 112.6 | G11 | Q9-G11 PolarHBondContact O-N 3.36Å; Q9-G11 VanDerWaalsContact O-N 3.14Å |
| 10 | P | 45.8 | Very low | 46.2 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 92% | 0.922 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -71.7 | 106 | 171.8 | -13.5 | 28.5 | 0 | 0 | 0 | 110.2 | | |
| 11 | G | 51.5 | Low | 46.2 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | 164.1 | 62.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q9 | Q9-G11 PolarHBondContact O-N 3.36Å; Q9-G11 VanDerWaalsContact O-N 3.14Å |
| 12 | A | 47.1 | Very low | 46 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | trans | -142.6 | 128.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y14 | A12-Y14 PolarHBondContact O-N 3.09Š|
| 13 | P | 46.7 | Very low | 46.6 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -60.7 | 136.5 | 173.6 | 24.5 | -30.3 | 0 | 0 | 0 | 108.6 | G15 | P13-G15 VanDerWaalsContact C-N 3.33Å; P13-G15 PolarHBondContact O-N 3.19Å |
| 14 | Y | 42.2 | Very low | 46.2 | Very low | 227 Ų | 227 | 133.6 Ų | 133.6 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | trans | -60 | 96.2 | 178.5 | -151.7 | -93.2 | 0 | 0 | 0 | 108.6 | A12 N16 | A12-Y14 PolarHBondContact O-N 3.09Å; Y14-N16 PolarHBondContact O-N 3Å; Y14-N16 VanDerWaalsContact O-N 3.14Å |
| 15 | G | 50 | Low | 45.6 | Very low | 63 Ų | 63 | 137.7 Ų | 137.7 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | -64 | 114.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | P13 P17 | P13-G15 VanDerWaalsContact C-N 3.33Å; P13-G15 PolarHBondContact O-N 3.19Å; G15-P17 WeakPolarHBondContact O-CD 3.35Å |
| 16 | N | 43.8 | Very low | 45.7 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 60% | 0.604 | 77% | 0.772 | S | S | * | * | | | trans | -51.5 | 118 | 172.9 | 178.6 | 19.9 | 0 | 0 | 0 | 109.7 | Y14 K18 | Y14-N16 PolarHBondContact O-N 3Å; Y14-N16 VanDerWaalsContact O-N 3.14Å; N16-K18 PolarHBondContact O-N 2.95Å; N16-K18 WeakPolarHBondContact OD1-CG 3.33Å |
| 17 | P | 52.6 | Low | 45.8 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 58% | 0.578 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -74.4 | 18.2 | -174.3 | 28.9 | -33.8 | 0 | 0 | 0 | 114.1 | G15 N19 | G15-P17 WeakPolarHBondContact O-CD 3.35Å; P17-N19 PolarHBondContact O-N 3.09Å; P17-N19 VanDerWaalsContact O-N 3.13Å |
| 18 | K | 49.8 | Very low | 45.6 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -73.1 | 4.3 | 178.2 | -75.1 | -172 | -177.9 | 179.4 | 0 | 114.7 | N16 | N16-K18 PolarHBondContact O-N 2.95Å; N16-K18 WeakPolarHBondContact OD1-CG 3.33Å |
| 19 | N | 47.8 | Very low | 44.9 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -152.9 | 46.3 | 179.4 | -120.5 | -15.6 | 0 | 0 | 0 | 114 | P17 A21 | P17-N19 PolarHBondContact O-N 3.09Å; P17-N19 VanDerWaalsContact O-N 3.13Å; N19-A21 VanDerWaalsContact C-N 3.26Å; N19-A21 PolarHBondContact O-N 3.27Å |
| 20 | M | 45.3 | Very low | 44.9 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | | | trans | -72 | 89.8 | 159.8 | -80.6 | -166.8 | -70.5 | 0 | 0 | 108.6 | Y22 | M20-Y22 PolarHBondContact O-N 3.2Š|
| 21 | A | 46.6 | Very low | 44.8 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | | | trans | -69.5 | 114.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | N19 T23 | N19-A21 VanDerWaalsContact C-N 3.26Å; N19-A21 PolarHBondContact O-N 3.27Å; A21-T23 PolarHBondContact O-N 3.06Å |
| 22 | Y | 37.6 | Very low | 44.7 | Very low | 221 Ų | 221 | 134.2 Ų | 134.2 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | | | trans | -62 | 124.9 | 165.9 | -91.4 | -94.6 | 0 | 0 | 0 | 109 | M20 G24 | M20-Y22 PolarHBondContact O-N 3.2Å; Y22-G24 PolarHBondContact O-N 2.81Å; Y22-G24 VanDerWaalsContact O-N 3.17Å |
| 23 | T | 45 | Very low | 44.5 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -66.5 | 107.2 | 172.9 | 53.9 | 0 | 0 | 0 | 0 | 109.1 | A21 | A21-T23 PolarHBondContact O-N 3.06Š|
| 24 | G | 46.2 | Very low | 44.4 | Very low | 60 Ų | 60 | 133.9 Ų | 133.9 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | | | trans | 167.6 | 6.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | Y22 | Y22-G24 PolarHBondContact O-N 2.81Å; Y22-G24 VanDerWaalsContact O-N 3.17Å |
| 25 | Y | 32.1 | Very low | 44.5 | Very low | 224 Ų | 224 | 127.8 Ų | 127.8 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | | | trans | -134.8 | 140.5 | 178.7 | -70.1 | -80.3 | 0 | 0 | 0 | 113.5 | | |
| 26 | P | 41.9 | Very low | 43.8 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -72.8 | 141.2 | -172.2 | 28.9 | -33.1 | 0 | 0 | 0 | 112.6 | A28 | P26-A28 PolarHBondContact O-N 2.93Š|
| 27 | T | 48.6 | Very low | 43.8 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | | | trans | -59.6 | 111.2 | 177.5 | -21.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 28 | A | 44.3 | Very low | 43.5 | Very low | 74 Ų | 74 | 136 Ų | 136 | 61% | 0.612 | 78% | 0.781 | S | S | * | * | | | trans | -160.9 | 55.6 | 169 | 0 | 0 | 0 | 0 | 0 | 114.7 | P26 | P26-A28 PolarHBondContact O-N 2.93Š|
| 29 | Y | 36.2 | Very low | 43.4 | Very low | 224 Ų | 224 | 131.2 Ų | 131.2 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -149.4 | 135.6 | 154 | -71.7 | -72.5 | 0 | 0 | 0 | 109.7 | A31 | Y29-A31 PolarHBondContact O-N 3.31Š|
| 30 | P | 41.9 | Very low | 43.1 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | | | trans | -67.7 | 107 | 170.9 | 27.9 | -29.3 | 0 | 0 | 0 | 107.6 | A32 | P30-A32 VanDerWaalsContact C-N 3.26Å; P30-A32 PolarHBondContact O-N 2.92Å |
| 31 | A | 44.1 | Very low | 42.6 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | | | trans | -70 | 89.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y29 A33 | Y29-A31 PolarHBondContact O-N 3.31Å; A31-A33 PolarHBondContact O-N 3.41Å |
| 32 | A | 48.3 | Very low | 42.3 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -66.8 | 81.5 | 162 | 0 | 0 | 0 | 0 | 0 | 107.6 | P30 P34 | P30-A32 VanDerWaalsContact C-N 3.26Å; P30-A32 PolarHBondContact O-N 2.92Å; A32-P34 WeakPolarHBondContact O-CD 3.41Å |
| 33 | A | 42.9 | Very low | 42.6 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | | | trans | -67.7 | 126.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | A31 A35 | A31-A33 PolarHBondContact O-N 3.41Å; A33-A35 PolarHBondContact O-N 2.97Å |
| 34 | P | 45.4 | Very low | 42.7 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -58.3 | 116.2 | 167 | -22.1 | 33.5 | 0 | 0 | 0 | 108.1 | A32 Y36 | A32-P34 WeakPolarHBondContact O-CD 3.41Å; P34-Y36 PolarHBondContact O-N 3.43Å |
| 35 | A | 43.9 | Very low | 42.2 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -59.7 | 112.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107 | A33 N37 | A33-A35 PolarHBondContact O-N 2.97Å; A35-N37 PolarHBondContact O-N 2.95Å |
| 36 | Y | 35.5 | Very low | 43 | Very low | 214 Ų | 214 | 129.7 Ų | 129.7 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -68.3 | 101.6 | 175.9 | -165.2 | -95.1 | 0 | 0 | 0 | 107.8 | P34 P38 | P34-Y36 PolarHBondContact O-N 3.43Å; Y36-P38 WeakPolarHBondContact O-CD 3.12Å |
| 37 | N | 42.8 | Very low | 42.6 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | | | trans | -78 | 114.1 | 170.4 | -179 | 42.5 | 0 | 0 | 0 | 108.4 | A35 S39 | A35-N37 PolarHBondContact O-N 2.95Å; N37-S39 VanDerWaalsContact C-N 3.27Å; N37-S39 PolarHBondContact O-N 3.21Å |
| 38 | P | 46.8 | Very low | 42.2 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | trans | -81.4 | 84 | 174.3 | 33.8 | -29.2 | 0 | 0 | 0 | 107.5 | Y36 | Y36-P38 WeakPolarHBondContact O-CD 3.12Š|
| 39 | S | 47.2 | Very low | 42 | Very low | 76 Ų | 76 | 133.5 Ų | 133.5 | 53% | 0.531 | 78% | 0.778 | S | S | . | * | | | trans | -147.4 | 133.2 | 163.1 | -78.7 | 0 | 0 | 0 | 0 | 110 | N37 | N37-S39 VanDerWaalsContact C-N 3.27Å; N37-S39 PolarHBondContact O-N 3.21Å |
| 40 | L | 42 | Very low | 42.6 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | | | trans | 87.8 | 98.9 | 162.3 | -55.3 | 127 | 0 | 0 | 0 | 115.8 | P42 | L40-P42 WeakPolarHBondContact O-CD 3.37Š|
| 41 | Y | 35.1 | Very low | 42.9 | Very low | 228 Ų | 228 | 129.6 Ų | 129.6 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | | | trans | -36.1 | 125.4 | 155.1 | -67.1 | -93.2 | 0 | 0 | 0 | 112.9 | | |
| 42 | P | 41.2 | Very low | 43.1 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 117 | 159.8 | -4.8 | 22.7 | 0 | 0 | 0 | 109.1 | L40 | L40-P42 WeakPolarHBondContact O-CD 3.37Š|
| 43 | T | 43 | Very low | 43.4 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 137.1 | 165.6 | 141.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 44 | N | 46.3 | Very low | 43.7 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 135.6 | -172.4 | -49 | -71.4 | 0 | 0 | 0 | 114 | | |
| 45 | S | 37.3 | Very low | 44.1 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | -146.6 | 129.5 | 155.3 | -71 | 0 | 0 | 0 | 0 | 110.2 | | |
| 46 | P | 47.9 | Very low | 44.4 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | | | trans | -77.1 | 125.9 | 177.2 | 28.2 | -29.9 | 0 | 0 | 0 | 111.3 | Y48 | P46-Y48 PolarHBondContact O-N 3.16Š|
| 47 | S | 33.9 | Very low | 45.1 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | | | trans | -76.3 | 111.4 | 176 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 48 | Y | 40.1 | Very low | 45.7 | Very low | 219 Ų | 219 | 133 Ų | 133 | 86% | 0.859 | 73% | 0.728 | S | S | * | * | | | trans | -106.6 | 145.4 | 158.8 | -82 | -84.5 | 0 | 0 | 0 | 109.6 | P46 | P46-Y48 PolarHBondContact O-N 3.16Š|
| 49 | A | 39.7 | Very low | 45.9 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | trans | -59.6 | 156.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E51 | A49-E51 PolarHBondContact O-N 3.39Å; A49-E51 VanDerWaalsContact O-N 3.08Å |
| 50 | P | 50.2 | Low | 46 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 61.6 | -164.1 | 38.1 | -37.6 | 0 | 0 | 0 | 113.7 | | |
| 51 | E | 48.3 | Very low | 46.6 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | -4.7 | 176.3 | -39.8 | -68.5 | 157.1 | 0 | 0 | 113.9 | A49 | A49-E51 PolarHBondContact O-N 3.39Å; A49-E51 VanDerWaalsContact O-N 3.08Å |
| 52 | F | 48.3 | Very low | 47.4 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 65% | 0.654 | 71% | 0.706 | S | S | * | * | | | trans | -116.4 | 20 | -170.4 | -116.2 | -87 | 0 | 0 | 0 | 115.5 | H56 | F52-H56 AromaticContact CD1-CE1 3.92Å; F52-H56 PolarHBondContact O-ND1 2.91Å; F52-H56 VanDerWaalsContact O-ND1 3.16Å |
| 53 | Q | 53.8 | Low | 48 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -81.3 | -22.5 | -176 | -77.5 | -179.3 | 12.6 | 0 | 0 | 114.8 | | |
| 54 | F | 49.2 | Very low | 48.5 | Very low | 201 Ų | 201 | 129.6 Ų | 129.6 | 88% | 0.882 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -23.4 | -172.7 | -115.1 | -89.2 | 0 | 0 | 0 | 114.7 | | |
| 55 | L | 53.8 | Low | 48.5 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 67% | 0.665 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -21.5 | -177.8 | -129.5 | 72.1 | 0 | 0 | 0 | 113.9 | | |
| 56 | H | 51 | Low | 48.7 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -84 | -25.1 | -175.4 | -78.3 | 95.1 | 0 | 0 | 0 | 114.5 | F52 A60 | F52-H56 AromaticContact CD1-CE1 3.92Å; F52-H56 PolarHBondContact O-ND1 2.91Å; F52-H56 VanDerWaalsContact O-ND1 3.16Å; H56-A60 PolarHBondContact O-N 2.92Å |
| 57 | S | 50.1 | Low | 48.3 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 53% | 0.531 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -73.2 | -29.4 | -179.3 | 88.9 | 0 | 0 | 0 | 0 | 112.8 | T61 | S57-T61 PolarHBondContact O-N 3.16Å; S57-T61 PolarHBondContact O-OG1 3.16Å |
| 58 | A | 53.8 | Low | 48.1 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -68.3 | -37.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 59 | Y | 51.3 | Low | 48.3 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -76.3 | -37.1 | 178.4 | -92.8 | -91 | 0 | 0 | 0 | 113 | T61 L62 L63 | Y59-T61 VanDerWaalsContact C-N 3.34Å; Y59-T61 PolarHBondContact O-N 3.31Å; Y59-L62 PolarHBondContact O-N 2.97Å; Y59-L63 PolarHBondContact O-N 2.84Å |
| 60 | A | 50.7 | Low | 48.4 | Very low | 54 Ų | 54 | 137.1 Ų | 137.1 | 45% | 0.446 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -66.1 | -35.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H56 M64 | H56-A60 PolarHBondContact O-N 2.92Å; A60-M64 PolarHBondContact O-N 2.89Å |
| 61 | T | 53.1 | Low | 47.6 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 64% | 0.638 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -73.6 | -31 | -179.2 | -47.1 | 0 | 0 | 0 | 0 | 112.3 | S57 Y59 | S57-T61 PolarHBondContact O-N 3.16Å; S57-T61 PolarHBondContact O-OG1 3.16Å; Y59-T61 VanDerWaalsContact C-N 3.34Å; Y59-T61 PolarHBondContact O-N 3.31Å |
| 62 | L | 52.2 | Low | 47.2 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 71% | 0.707 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -72.4 | -33.8 | 177.9 | -155.6 | 76.1 | 0 | 0 | 0 | 112 | Y59 | Y59-L62 PolarHBondContact O-N 2.97Å |
| 63 | L | 54.5 | Low | 46.5 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 59% | 0.592 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -76 | -26.5 | -178.7 | -83.2 | 155.2 | 0 | 0 | 0 | 114.2 | Y59 K65 Q66 | Y59-L63 PolarHBondContact O-N 2.84Å; L63-K65 VanDerWaalsContact C-N 3.35Å; L63-K65 PolarHBondContact O-N 3.12Å; L63-Q66 WeakPolarHBondContact O-CG 3.26Å |
| 64 | M | 52.8 | Low | 45.7 | Very low | 168 Ų | 168 | 132 Ų | 132 | 83% | 0.828 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -11.4 | -179.4 | -80.9 | 179.7 | 168.4 | 0 | 0 | 114.5 | A60 | A60-M64 PolarHBondContact O-N 2.89Š|
| 65 | K | 45.8 | Very low | 45.1 | Very low | 187 Ų | 187 | 128.9 Ų | 128.9 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 3.9 | -173.1 | -166.1 | 157.5 | 164.1 | -170.7 | 0 | 115 | L63 | L63-K65 VanDerWaalsContact C-N 3.35Å; L63-K65 PolarHBondContact O-N 3.12Å |
| 66 | Q | 42.3 | Very low | 44.2 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | | | trans | -108.1 | 28.2 | -175.1 | 59.2 | -180 | 25.1 | 0 | 0 | 115.3 | L63 | L63-Q66 WeakPolarHBondContact O-CG 3.26Š|
| 67 | A | 39.1 | Very low | 43.5 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 78% | 0.777 | 72% | 0.72 | S | S | * | * | | | trans | -122.4 | 106.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 68 | W | 29.1 | Very low | 42.9 | Very low | 236 Ų | 236 | 131 Ų | 131 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | | | trans | -96.9 | 166.8 | 171.5 | -76.8 | 92.5 | 0 | 0 | 0 | 110.8 | | |
| 69 | P | 44.3 | Very low | 42.1 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | | | | -107.4 | 159.2 | -58.9 | 30.6 | -15.3 | 0 | 0 | 0 | 112.1 | N71 | P69-N71 PolarHBondContact O-N 3.43Š|
| 70 | Q | 43.5 | Very low | 41.8 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -81.1 | 112.3 | 168.3 | -63.7 | -79.5 | -80.4 | 0 | 0 | 108.8 | S72 | Q70-S72 PolarHBondContact O-N 3Š|
| 71 | N | 32.1 | Very low | 41 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | trans | -86.2 | 103 | 166.9 | -168 | -10.7 | 0 | 0 | 0 | 108.6 | P69 | P69-N71 PolarHBondContact O-N 3.43Š|
| 72 | S | 41.1 | Very low | 40.1 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -82.1 | 129.8 | 166.9 | -56.2 | 0 | 0 | 0 | 0 | 108.7 | Q70 | Q70-S72 PolarHBondContact O-N 3Š|
| 73 | S | 33.8 | Very low | 39.7 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -144.8 | 118.5 | 159.9 | -70.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 74 | S | 35.2 | Very low | 39.4 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -67.7 | 156.4 | 172.4 | 46.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 75 | C | 37.6 | Very low | 39.5 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | | | trans | -9.6 | 124.2 | 156.6 | 175.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 76 | G | 33.9 | Very low | 39.1 | Very low | 74 Ų | 74 | 136.2 Ų | 136.2 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | trans | -175.1 | 128.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 77 | T | 36.3 | Very low | 39.1 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | | | trans | -58.6 | 149.1 | -177.5 | -55.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 78 | E | 38.8 | Very low | 39.5 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | 54.5 | 122.9 | 154.6 | -68.4 | 160.3 | -146.8 | 0 | 0 | 120.8 | | |
| 79 | G | 36.5 | Very low | 40.2 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | 162.3 | 116.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 80 | T | 45.1 | Very low | 40.4 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | trans | -60.7 | 174 | 170.9 | -53.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 81 | F | 33.1 | Very low | 40.3 | Very low | 180 Ų | 180 | 131 Ų | 131 | 79% | 0.789 | 79% | 0.789 | S | S | * | * | | | trans | 87.5 | 134.3 | 164.9 | -31.7 | -66.4 | 0 | 0 | 0 | 114.7 | | |
| 82 | H | 35.5 | Very low | 40.7 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | | | cis | -162.2 | 144.1 | 0.5 | -134.6 | -112.1 | 0 | 0 | 0 | 105.6 | | |
| 83 | L | 43.8 | Very low | 40.6 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -75.2 | 130.6 | 174.9 | -68.1 | 161.3 | 0 | 0 | 0 | 110.3 | V85 | L83-V85 PolarHBondContact O-N 3.45Š|
| 84 | P | 47.4 | Very low | 40.7 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -83.8 | 102.9 | 157 | 29.8 | -24.3 | 0 | 0 | 0 | 108.4 | D86 | P84-D86 PolarHBondContact O-N 2.96Š|
| 85 | V | 54 | Low | 40.8 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | -61.8 | 120.5 | 146.3 | 157.4 | 0 | 0 | 0 | 0 | 105.5 | L83 | L83-V85 PolarHBondContact O-N 3.45Š|
| 86 | D | 38.4 | Very low | 40.9 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | trans | -133.3 | 144 | 156.6 | -144.8 | -12.4 | 0 | 0 | 0 | 111.6 | P84 | P84-D86 PolarHBondContact O-N 2.96Š|
| 87 | T | 42.1 | Very low | 41 | Very low | 117 Ų | 117 | 142 Ų | 142 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | | | trans | -92.9 | 135.8 | -154.3 | -38.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 88 | G | 47.8 | Very low | 41.5 | Very low | 69 Ų | 69 | 142.3 Ų | 142.3 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 54.2 | 95 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 89 | T | 43.2 | Very low | 41.7 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | trans | -155.3 | 126.9 | 139.8 | 18.8 | 0 | 0 | 0 | 0 | 109.8 | N91 | T89-N91 PolarHBondContact O-N 3Å; T89-N91 VanDerWaalsContact O-N 3.12Å |
| 90 | E | 49.9 | Very low | 42 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | trans | -69.7 | 93 | -172.6 | -58.2 | 159.1 | -155.8 | 0 | 0 | 111.3 | | |
| 91 | N | 41.5 | Very low | 41.7 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -171.4 | 101.7 | 155.7 | -140.1 | -35 | 0 | 0 | 0 | 112.3 | T89 | T89-N91 PolarHBondContact O-N 3Å; T89-N91 VanDerWaalsContact O-N 3.12Å |
| 92 | R | 40.4 | Very low | 42.3 | Very low | 235 Ų | 235 | 141.5 Ų | 141.5 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | | | trans | -167.2 | 83.6 | 150.3 | -119.7 | 178.3 | -82 | -164.6 | -2.1 | 112.3 | | |
| 93 | T | 37.8 | Very low | 42.5 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 57% | 0.571 | 77% | 0.772 | S | S | * | * | | | | 18.6 | 106.7 | 106.3 | -51.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 94 | Y | 36.6 | Very low | 42.5 | Very low | 211 Ų | 211 | 141.7 Ų | 141.7 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | 54.6 | 101.9 | 162.6 | -54.3 | -68.6 | 0 | 0 | 0 | 117.7 | A96 | Y94-A96 PolarHBondContact O-N 3.17Š|
| 95 | Q | 37.4 | Very low | 42.3 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -53.2 | 81.5 | 151.3 | -167.5 | 177 | 19.6 | 0 | 0 | 109.9 | S97 | Q95-S97 VanDerWaalsContact C-N 3.32Å; Q95-S97 PolarHBondContact O-N 3.01Å; Q95-S97 VanDerWaalsContact O-N 3.12Å |
| 96 | A | 38.3 | Very low | 42.1 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -76.3 | 92.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | Y94 S98 | Y94-A96 PolarHBondContact O-N 3.17Å; A96-S98 PolarHBondContact O-N 2.94Å |
| 97 | S | 37.4 | Very low | 42.5 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | -53.7 | 101.7 | 168.1 | -54.8 | 0 | 0 | 0 | 0 | 108.4 | Q95 A99 | Q95-S97 VanDerWaalsContact C-N 3.32Å; Q95-S97 PolarHBondContact O-N 3.01Å; Q95-S97 VanDerWaalsContact O-N 3.12Å; S97-A99 PolarHBondContact O-N 3.22Å |
| 98 | S | 46.2 | Very low | 42.9 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -71.4 | 68.1 | 164.9 | 48.6 | 0 | 0 | 0 | 0 | 108.2 | A96 A100 | A96-S98 PolarHBondContact O-N 2.94Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.15Å |
| 99 | A | 43.2 | Very low | 42.7 | Very low | 61 Ų | 61 | 144.4 Ų | 144.4 | 50% | 0.504 | 78% | 0.784 | S | S | . | * | | | trans | -64.4 | 103 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | S97 F101 | S97-A99 PolarHBondContact O-N 3.22Å; A99-F101 VanDerWaalsContact C-N 3.29Å; A99-F101 HydrophobicContact CB-CD2 4.41Å; A99-F101 HydrophobicContact CB-CE2 3.96Å; A99-F101 HydrophobicContact CB-CZ 4.48Å; A99-F101 VanDerWaalsContact O-CD2 3.26Å; A99-F101 WeakPolarHBondContact O-CD2 3.45Å; A99-F101 PolarHBondContact O-N 2.86Å |
| 100 | A | 43.5 | Very low | 43.1 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | | | trans | -58.9 | 91.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | S98 R102 | S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.15Å; A100-R102 PolarHBondContact O-N 3.2Å; A100-R102 VanDerWaalsContact O-N 3.12Å |
| 101 | F | 37.9 | Very low | 43.7 | Very low | 153 Ų | 153 | 142 Ų | 142 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | | | trans | -74.3 | 101.2 | 166.5 | -72.5 | -79.4 | 0 | 0 | 0 | 108 | A99 Y103 | A99-F101 VanDerWaalsContact C-N 3.29Å; A99-F101 HydrophobicContact CB-CD2 4.41Å; A99-F101 HydrophobicContact CB-CE2 3.96Å; A99-F101 HydrophobicContact CB-CZ 4.48Å; A99-F101 VanDerWaalsContact O-CD2 3.26Å; A99-F101 WeakPolarHBondContact O-CD2 3.45Å; A99-F101 PolarHBondContact O-N 2.86Å; F101-Y103 HydrophobicContact CB-CD2 4.08Å; F101-Y103 HydrophobicContact CB-CE2 3.46Å; F101-Y103 VanDerWaalsContact CB-CE2 3.46Å; F101-Y103 HydrophobicContact CG-CE2 4.41Å; F101-Y103 WeakPolarHBondContact O-CD2 3.45Å; F101-Y103 PolarHBondContact O-N 3.08Å; F101-Y103 VanDerWaalsContact O-N 3.12Å |
| 102 | R | 45.6 | Very low | 44.4 | Very low | 236 Ų | 236 | 140.3 Ų | 140.3 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | -66.3 | 101.7 | 170.5 | -60.3 | -82.1 | -93.9 | -141.1 | -6.2 | 107.5 | A100 | A100-R102 PolarHBondContact O-N 3.2Å; A100-R102 VanDerWaalsContact O-N 3.12Å |
| 103 | Y | 39.6 | Very low | 45.2 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | -96.5 | 113.6 | 168.2 | -68.3 | -74 | 0 | 0 | 0 | 109.5 | F101 A105 | F101-Y103 HydrophobicContact CB-CD2 4.08Å; F101-Y103 HydrophobicContact CB-CE2 3.46Å; F101-Y103 VanDerWaalsContact CB-CE2 3.46Å; F101-Y103 HydrophobicContact CG-CE2 4.41Å; F101-Y103 WeakPolarHBondContact O-CD2 3.45Å; F101-Y103 PolarHBondContact O-N 3.08Å; F101-Y103 VanDerWaalsContact O-N 3.12Å; Y103-A105 PolarHBondContact O-N 2.9Å |
| 104 | T | 45.3 | Very low | 46 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | -56 | 124 | 162.9 | -61.5 | 0 | 0 | 0 | 0 | 108.7 | G106 | T104-G106 PolarHBondContact O-N 2.92Š|
| 105 | A | 41.3 | Very low | 46.6 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -62.5 | 129.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y103 | Y103-A105 PolarHBondContact O-N 2.9Š|
| 106 | G | 51.8 | Low | 47.4 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 160 | -16.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | T104 | T104-G106 PolarHBondContact O-N 2.92Š|
| 107 | T | 45.3 | Very low | 48.3 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | -138.3 | 122.3 | 176.8 | 33 | 0 | 0 | 0 | 0 | 111.2 | Y109 | T107-Y109 PolarHBondContact O-N 3.4Š|
| 108 | P | 51.1 | Low | 49.1 | Very low | 132 Ų | 132 | 134 Ų | 134 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | | | trans | -69.4 | 104.2 | 174.4 | 25.4 | -29.3 | 0 | 0 | 0 | 109.1 | K110 | P108-K110 PolarHBondContact O-N 3.23Š|
| 109 | Y | 42.6 | Very low | 49.7 | Very low | 210 Ų | 210 | 131.3 Ų | 131.3 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | | | trans | -69 | 120.7 | 169.9 | -160.1 | -96.2 | 0 | 0 | 0 | 108.4 | T107 V111 | T107-Y109 PolarHBondContact O-N 3.4Å; Y109-V111 PolarHBondContact O-N 3.33Å |
| 110 | K | 52.8 | Low | 50.6 | Low | 183 Ų | 183 | 133.2 Ų | 133.2 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | trans | -74.6 | 95.5 | 177.8 | -156.9 | 176.9 | -166.7 | -69.9 | 0 | 108.1 | P108 P112 | P108-K110 PolarHBondContact O-N 3.23Å; K110-P112 WeakPolarHBondContact O-CD 3.37Å |
| 111 | V | 61.7 | Low | 51.8 | Low | 110 Ų | 110 | 134.1 Ų | 134.1 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 123.3 | 170.6 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | Y109 | Y109-V111 PolarHBondContact O-N 3.33Š|
| 112 | P | 56.4 | Low | 53.3 | Low | 97 Ų | 97 | 132.9 Ų | 132.9 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.2 | 172.8 | -18.6 | 30.1 | 0 | 0 | 0 | 108.7 | K110 T114 | K110-P112 WeakPolarHBondContact O-CD 3.37Å; P112-T114 PolarHBondContact O-N 3.38Å; P112-T114 VanDerWaalsContact O-N 3.11Å |
| 113 | P | 57.5 | Low | 53.9 | Low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 125 | 173.2 | 24.4 | -31 | 0 | 0 | 0 | 107.8 | Q115 | P113-Q115 PolarHBondContact O-N 3.42Š|
| 114 | T | 55.4 | Low | 54.7 | Low | 125 Ų | 125 | 127.9 Ų | 127.9 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | | | trans | -57.1 | 112.4 | 170.8 | 47.4 | 0 | 0 | 0 | 0 | 107.1 | P112 S116 | P112-T114 PolarHBondContact O-N 3.38Å; P112-T114 VanDerWaalsContact O-N 3.11Å; T114-S116 PolarHBondContact O-N 3.22Å |
| 115 | Q | 47.4 | Very low | 55 | Low | 179 Ų | 179 | 126.8 Ų | 126.8 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | | | trans | -66.3 | 98.1 | 177.7 | -175.4 | 176.4 | 1.7 | 0 | 0 | 107.6 | P113 N117 | P113-Q115 PolarHBondContact O-N 3.42Å; Q115-N117 PolarHBondContact O-N 3.12Å |
| 116 | S | 54.2 | Low | 55.9 | Low | 96 Ų | 96 | 126.8 Ų | 126.8 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | | | trans | -65.9 | 99.1 | 170.1 | -53.9 | 0 | 0 | 0 | 0 | 107.3 | T114 T118 | T114-S116 PolarHBondContact O-N 3.22Å; S116-T118 VanDerWaalsContact C-N 3.34Å; S116-T118 PolarHBondContact O-N 3.23Å |
| 117 | N | 57.5 | Low | 56.4 | Low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | -73.8 | 93.8 | 173.2 | -161.5 | -14.8 | 0 | 0 | 0 | 107.2 | Q115 A119 | Q115-N117 PolarHBondContact O-N 3.12Å; N117-A119 PolarHBondContact O-N 2.98Å; N117-A119 WeakPolarHBondContact OD1-CB 3.47Å |
| 118 | T | 54 | Low | 56.8 | Low | 133 Ų | 133 | 129.1 Ų | 129.1 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | | | trans | -74 | 20.6 | 177.5 | 43.8 | 0 | 0 | 0 | 0 | 112.8 | S116 | S116-T118 VanDerWaalsContact C-N 3.34Å; S116-T118 PolarHBondContact O-N 3.23Å |
| 119 | A | 58.9 | Low | 57.2 | Low | 63 Ų | 63 | 128 Ų | 128 | 52% | 0.521 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 126.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | N117 | N117-A119 PolarHBondContact O-N 2.98Å; N117-A119 WeakPolarHBondContact OD1-CB 3.47Å |
| 120 | P | 63.4 | Low | 57.1 | Low | 102 Ų | 102 | 127.7 Ų | 127.7 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 146.3 | 172.1 | 23.8 | -31.2 | 0 | 0 | 0 | 109.5 | | |
| 121 | P | 68 | Low | 56.8 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 145 | 176.9 | 24.9 | -32.9 | 0 | 0 | 0 | 109.7 | Y123 | P121-Y123 PolarHBondContact O-N 3.12Š|
| 122 | P | 69.6 | Low | 56.2 | Low | 126 Ų | 126 | 128.4 Ų | 128.4 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 134 | 177.1 | 23.1 | -31.9 | 0 | 0 | 0 | 109.7 | S124 | P122-S124 PolarHBondContact O-N 2.94Š|
| 123 | Y | 57.9 | Low | 56 | Low | 220 Ų | 220 | 126.9 Ų | 126.9 | 86% | 0.863 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 125.3 | 177.2 | -69.6 | -77 | 0 | 0 | 0 | 109.8 | P121 | P121-Y123 PolarHBondContact O-N 3.12Š|
| 124 | S | 56.6 | Low | 55.4 | Low | 110 Ų | 110 | 129.8 Ų | 129.8 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 125.8 | 171.3 | -169.5 | 0 | 0 | 0 | 0 | 108.9 | P122 S126 | P122-S124 PolarHBondContact O-N 2.94Å; S124-S126 PolarHBondContact O-N 2.88Å; S124-S126 VanDerWaalsContact O-N 3.15Å |
| 125 | P | 51.9 | Low | 54.5 | Low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 119.3 | 173 | -17.7 | 29.6 | 0 | 0 | 0 | 109.3 | | |
| 126 | S | 59.6 | Low | 54.6 | Low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 129.6 | 169.4 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | S124 N128 | S124-S126 PolarHBondContact O-N 2.88Å; S124-S126 VanDerWaalsContact O-N 3.15Å; S126-N128 PolarHBondContact O-N 2.82Å |
| 127 | P | 61.7 | Low | 54.2 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 123 | 173.8 | -19.1 | 30.3 | 0 | 0 | 0 | 109.8 | P129 | P127-P129 WeakPolarHBondContact O-CD 3.38Š|
| 128 | N | 55.1 | Low | 53.7 | Low | 142 Ų | 142 | 137.8 Ų | 137.8 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 121 | 173 | -97.4 | 21.7 | 0 | 0 | 0 | 109.5 | S126 Y130 | S126-N128 PolarHBondContact O-N 2.82Å; N128-Y130 PolarHBondContact O-N 3.05Å |
| 129 | P | 58.1 | Low | 53 | Low | 109 Ų | 109 | 135.6 Ų | 135.6 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | | | trans | -77 | -6.5 | -179.8 | 30.5 | -34.1 | 0 | 0 | 0 | 113.3 | P127 Q131 | P127-P129 WeakPolarHBondContact O-CD 3.38Å; P129-Q131 PolarHBondContact O-N 3.01Å; P129-Q131 VanDerWaalsContact O-N 3.16Å |
| 130 | Y | 40.7 | Very low | 52.4 | Low | 203 Ų | 203 | 137.1 Ų | 137.1 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | | | trans | -85.1 | 90.3 | 178.9 | -64 | -76 | 0 | 0 | 0 | 110.3 | N128 T132 | N128-Y130 PolarHBondContact O-N 3.05Å; Y130-T132 PolarHBondContact O-N 3.43Å |
| 131 | Q | 47.4 | Very low | 51 | Low | 181 Ų | 181 | 141.6 Ų | 141.6 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | | | trans | -57.6 | 116.2 | 155.2 | -68.3 | -85 | -13.9 | 0 | 0 | 107 | P129 A133 | P129-Q131 PolarHBondContact O-N 3.01Å; P129-Q131 VanDerWaalsContact O-N 3.16Å; Q131-A133 PolarHBondContact O-N 3.14Å |
| 132 | T | 49.5 | Very low | 50 | Low | 126 Ų | 126 | 142.7 Ų | 142.7 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -63.9 | 104.2 | 167.5 | -173.9 | 0 | 0 | 0 | 0 | 107 | Y130 M134 | Y130-T132 PolarHBondContact O-N 3.43Å; T132-M134 VanDerWaalsContact C-N 3.35Å; T132-M134 PolarHBondContact O-N 3.42Å |
| 133 | A | 51.5 | Low | 48.7 | Very low | 66 Ų | 66 | 144 Ų | 144 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | | | trans | -65.3 | 99.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q131 Y135 | Q131-A133 PolarHBondContact O-N 3.14Å; A133-Y135 VanDerWaalsContact C-N 3.29Å; A133-Y135 HydrophobicContact CB-CE2 4.33Å; A133-Y135 WeakPolarHBondContact O-CD2 3.5Å; A133-Y135 PolarHBondContact O-N 2.97Å |
| 134 | M | 45.4 | Very low | 48.1 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 86% | 0.862 | 76% | 0.76 | S | S | * | * | | | trans | -73.4 | 89.7 | 175 | -149.6 | 151.8 | 69 | 0 | 0 | 107.1 | T132 | T132-M134 VanDerWaalsContact C-N 3.35Å; T132-M134 PolarHBondContact O-N 3.42Å |
| 135 | Y | 35.6 | Very low | 47.2 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -58.4 | 130.9 | 173.6 | -70.7 | -84.9 | 0 | 0 | 0 | 109 | A133 I137 | A133-Y135 VanDerWaalsContact C-N 3.29Å; A133-Y135 HydrophobicContact CB-CE2 4.33Å; A133-Y135 WeakPolarHBondContact O-CD2 3.5Å; A133-Y135 PolarHBondContact O-N 2.97Å; Y135-I137 PolarHBondContact O-N 2.95Å; Y135-I137 VanDerWaalsContact O-N 3.09Å |
| 136 | P | 50.6 | Low | 46.8 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | trans | -64 | 114.1 | 170.5 | -15.4 | 27.8 | 0 | 0 | 0 | 108.8 | R138 | P136-R138 PolarHBondContact O-N 2.81Š|
| 137 | I | 44.4 | Very low | 45.6 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -67.4 | 103.4 | 171 | -58.6 | 179.7 | 0 | 0 | 0 | 107.2 | Y135 S139 | Y135-I137 PolarHBondContact O-N 2.95Å; Y135-I137 VanDerWaalsContact O-N 3.09Å; I137-S139 VanDerWaalsContact C-N 3.35Å; I137-S139 PolarHBondContact O-N 3.06Å; I137-S139 VanDerWaalsContact O-N 3.09Å |
| 138 | R | 47.1 | Very low | 44.6 | Very low | 237 Ų | 237 | 148.9 Ų | 148.9 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | | | trans | -72.8 | 95.2 | 161.5 | -65.8 | -173.7 | -170.7 | -83.1 | 0.4 | 106.9 | P136 A140 | P136-R138 PolarHBondContact O-N 2.81Å; R138-A140 PolarHBondContact O-N 2.9Å |
| 139 | S | 40.4 | Very low | 43.7 | Very low | 88 Ų | 88 | 151.8 Ų | 151.8 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | | | trans | -66.5 | 122.9 | 171.6 | -67.4 | 0 | 0 | 0 | 0 | 109.2 | I137 Y141 | I137-S139 VanDerWaalsContact C-N 3.35Å; I137-S139 PolarHBondContact O-N 3.06Å; I137-S139 VanDerWaalsContact O-N 3.09Å; S139-Y141 PolarHBondContact O-N 2.91Å |
| 140 | A | 46.5 | Very low | 42.9 | Very low | 94 Ų | 94 | 150.1 Ų | 150.1 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -83.4 | 15.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R138 | R138-A140 PolarHBondContact O-N 2.9Š|
| 141 | Y | 34.5 | Very low | 42.9 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -130.6 | 133.1 | -179.2 | -65.6 | -79.9 | 0 | 0 | 0 | 109.9 | S139 Q143 | S139-Y141 PolarHBondContact O-N 2.91Å; Y141-Q143 PolarHBondContact O-N 3.37Å; Y141-Q143 VanDerWaalsContact O-N 3.15Å |
| 142 | P | 46.4 | Very low | 42.2 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | trans | -66.5 | 115.1 | 174.9 | 26.5 | -31.1 | 0 | 0 | 0 | 109.5 | Q144 | P142-Q144 PolarHBondContact O-N 3.12Š|
| 143 | Q | 41.8 | Very low | 41.8 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -71.5 | 116.4 | 167.1 | -72.8 | -107.1 | -52.9 | 0 | 0 | 108.4 | Y141 N145 | Y141-Q143 PolarHBondContact O-N 3.37Å; Y141-Q143 VanDerWaalsContact O-N 3.15Å; Q143-N145 PolarHBondContact O-N 3.12Å |
| 144 | Q | 44.8 | Very low | 41.3 | Very low | 171 Ų | 171 | 154.6 Ų | 154.6 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | trans | -69.5 | 91.3 | 172.2 | -179.6 | 168.6 | -2.2 | 0 | 0 | 109.1 | P142 L146 | P142-Q144 PolarHBondContact O-N 3.12Å; Q144-L146 HydrophobicContact CG-CD1 3.52Å |
| 145 | N | 38.4 | Very low | 41.2 | Very low | 140 Ų | 140 | 154.3 Ų | 154.3 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | | | trans | -95.5 | 105.1 | 172.2 | -77.7 | -54.8 | 0 | 0 | 0 | 109.7 | Q143 | Q143-N145 PolarHBondContact O-N 3.12Š|
| 146 | L | 44.1 | Very low | 42.1 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | | | trans | -84.7 | 123.4 | 166.1 | -71.2 | 82 | 0 | 0 | 0 | 108 | Q144 | Q144-L146 HydrophobicContact CG-CD1 3.52Š|
| 147 | Y | 34.8 | Very low | 42 | Very low | 221 Ų | 221 | 151.1 Ų | 151.1 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 72.6 | 102.1 | 170.2 | -62.7 | -85.5 | 0 | 0 | 0 | 118.4 | | |
| 148 | A | 39.1 | Very low | 42.1 | Very low | 107 Ų | 107 | 154.7 Ų | 154.7 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | | | | 161.1 | 113.5 | 107.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 149 | Q | 37.6 | Very low | 42.1 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 95% | 0.949 | 79% | 0.785 | S | S | * | * | | | trans | -74.9 | 135.3 | 165.6 | -73.1 | -101.7 | 11.4 | 0 | 0 | 109.5 | | |
| 150 | G | 41.3 | Very low | 42.5 | Very low | 75 Ų | 75 | 146.8 Ų | 146.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 176.7 | 110.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 151 | A | 40.7 | Very low | 42.5 | Very low | 82 Ų | 82 | 149.8 Ų | 149.8 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | -71.3 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 152 | Y | 31.3 | Very low | 43.3 | Very low | 218 Ų | 218 | 146 Ų | 146 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | 106.2 | 114.5 | 160.9 | -58.4 | -75.9 | 0 | 0 | 0 | 117.1 | | |
| 153 | Y | 42 | Very low | 43.9 | Very low | 234 Ų | 234 | 147.1 Ų | 147.1 | 92% | 0.918 | 78% | 0.78 | S | S | * | * | | | trans | -23.3 | 128.4 | 168.1 | -85.4 | -99.3 | 0 | 0 | 0 | 115.7 | | |
| 154 | T | 41.3 | Very low | 44.9 | Very low | 135 Ų | 135 | 145 Ų | 145 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | | | trans | -137.6 | 124.3 | 149.8 | 60.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 155 | Q | 43 | Very low | 45.1 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | -48.2 | 155.2 | 172.8 | -71.2 | 172 | -29.7 | 0 | 0 | 112.2 | V157 | Q155-V157 PolarHBondContact O-N 2.83Š|
| 156 | P | 53.9 | Low | 46.2 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -65.2 | 105.6 | 165.1 | 28.1 | -31.1 | 0 | 0 | 0 | 108.1 | Y158 | P156-Y158 PolarHBondContact O-N 2.78Š|
| 157 | V | 48.4 | Very low | 46.6 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | | | trans | -64.3 | 107.6 | 166.6 | 176 | 0 | 0 | 0 | 0 | 106.3 | Q155 A159 | Q155-V157 PolarHBondContact O-N 2.83Å; V157-A159 HydrophobicContact CG1-CB 4Å; V157-A159 PolarHBondContact O-N 3.14Å |
| 158 | Y | 47.8 | Very low | 47.4 | Very low | 228 Ų | 228 | 140.4 Ų | 140.4 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | | | trans | -67 | 75.7 | 161.7 | -99.4 | -89.6 | 0 | 0 | 0 | 108.1 | P156 A160 | P156-Y158 PolarHBondContact O-N 2.78Å; Y158-A160 PolarHBondContact O-N 3.11Å |
| 159 | A | 45.5 | Very low | 48.1 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | | | trans | -87 | 95.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | V157 Q161 | V157-A159 HydrophobicContact CG1-CB 4Å; V157-A159 PolarHBondContact O-N 3.14Å; A159-Q161 PolarHBondContact O-N 3.05Å |
| 160 | A | 50.2 | Low | 48.7 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | | | trans | -53.2 | 110.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | Y158 | Y158-A160 PolarHBondContact O-N 3.11Š|
| 161 | Q | 46.6 | Very low | 49.2 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | | | trans | -57.6 | 130.3 | 170.1 | -72 | -167.7 | -9.5 | 0 | 0 | 107.1 | A159 H163 | A159-Q161 PolarHBondContact O-N 3.05Å; Q161-H163 VanDerWaalsContact C-N 3.27Å; Q161-H163 PolarHBondContact O-CE1 3.45Å; Q161-H163 PolarHBondContact O-N 3.07Å; Q161-H163 PolarHBondContact O-ND1 3.37Å |
| 162 | P | 51.1 | Low | 49.7 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | | | trans | -70.7 | 95.4 | 168.5 | 28.5 | -29.2 | 0 | 0 | 0 | 106.6 | V164 | P162-V164 VanDerWaalsContact C-N 3.34Å; P162-V164 PolarHBondContact O-N 3.34Å |
| 163 | H | 59 | Low | 50.4 | Low | 156 Ų | 156 | 136.6 Ų | 136.6 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | -57.9 | 102.3 | 165.4 | -29.6 | 63.3 | 0 | 0 | 0 | 106.2 | Q161 I165 | Q161-H163 VanDerWaalsContact C-N 3.27Å; Q161-H163 PolarHBondContact O-CE1 3.45Å; Q161-H163 PolarHBondContact O-N 3.07Å; Q161-H163 PolarHBondContact O-ND1 3.37Å; H163-I165 VanDerWaalsContact C-N 3.3Å; H163-I165 PolarHBondContact O-N 3Å |
| 164 | V | 61.2 | Low | 51 | Low | 108 Ų | 108 | 132.2 Ų | 132.2 | 66% | 0.655 | 73% | 0.729 | S | S | * | * | | | trans | -69 | 97.5 | 167.3 | 178.6 | 0 | 0 | 0 | 0 | 105.6 | P162 H166 | P162-V164 VanDerWaalsContact C-N 3.34Å; P162-V164 PolarHBondContact O-N 3.34Å; V164-H166 PolarHBondContact O-N 3.13Å; V164-H166 VanDerWaalsContact O-N 3.12Å |
| 165 | I | 50.4 | Low | 51.4 | Low | 121 Ų | 121 | 130.6 Ų | 130.6 | 62% | 0.621 | 72% | 0.723 | S | S | * | * | | | trans | -71.1 | 106 | 170.1 | -60.1 | 175.2 | 0 | 0 | 0 | 106.1 | H163 H167 | H163-I165 VanDerWaalsContact C-N 3.3Å; H163-I165 PolarHBondContact O-N 3Å; I165-H167 PolarHBondContact O-CD2 3.37Å; I165-H167 PolarHBondContact O-N 3.02Å; I165-H167 PolarHBondContact O-NE2 2.89Å |
| 166 | H | 59.9 | Low | 51.8 | Low | 162 Ų | 162 | 130 Ų | 130 | 75% | 0.75 | 72% | 0.724 | S | S | * | * | | | trans | -70.3 | 95.8 | 166.9 | -66.4 | -91.4 | 0 | 0 | 0 | 108.1 | V164 T168 | V164-H166 PolarHBondContact O-N 3.13Å; V164-H166 VanDerWaalsContact O-N 3.12Å; H166-T168 VanDerWaalsContact C-N 3.34Å; H166-T168 PolarHBondContact O-N 3.03Å |
| 167 | H | 53.6 | Low | 51.3 | Low | 157 Ų | 157 | 130 Ų | 130 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | -68.1 | 94.4 | 168.5 | -34 | -80.3 | 0 | 0 | 0 | 108.1 | I165 T169 | I165-H167 PolarHBondContact O-CD2 3.37Å; I165-H167 PolarHBondContact O-N 3.02Å; I165-H167 PolarHBondContact O-NE2 2.89Å; H167-T169 PolarHBondContact O-N 3.06Å |
| 168 | T | 51.8 | Low | 51 | Low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | | | trans | -74.3 | 83.9 | 160.9 | 174 | 0 | 0 | 0 | 0 | 107.7 | H166 V170 | H166-T168 VanDerWaalsContact C-N 3.34Å; H166-T168 PolarHBondContact O-N 3.03Å; T168-V170 PolarHBondContact O-N 3.17Å; T168-V170 VanDerWaalsContact O-N 3.08Å |
| 169 | T | 53.1 | Low | 50.9 | Low | 110 Ų | 110 | 122 Ų | 122 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | | | trans | -65.7 | 107.3 | 157 | 159.1 | 0 | 0 | 0 | 0 | 106.2 | H167 V171 | H167-T169 PolarHBondContact O-N 3.06Å; T169-V171 PolarHBondContact O-N 3.36Å |
| 170 | V | 49.5 | Very low | 51.4 | Low | 122 Ų | 122 | 125.8 Ų | 125.8 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | | | trans | -75.6 | 71 | 174.1 | -162.4 | 0 | 0 | 0 | 0 | 107.3 | T168 Q172 | T168-V170 PolarHBondContact O-N 3.17Å; T168-V170 VanDerWaalsContact O-N 3.08Å; V170-Q172 PolarHBondContact O-N 2.98Å |
| 171 | V | 53.7 | Low | 51 | Low | 110 Ų | 110 | 131.4 Ų | 131.4 | 67% | 0.667 | 73% | 0.725 | S | S | * | * | | | trans | -71.4 | 115 | 152.1 | 178.8 | 0 | 0 | 0 | 0 | 104.3 | T169 P173 | T169-V171 PolarHBondContact O-N 3.36Å; V171-P173 WeakPolarHBondContact O-CD 3.48Å |
| 172 | Q | 50.1 | Low | 51.4 | Low | 152 Ų | 152 | 129.7 Ų | 129.7 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | | | trans | -48.5 | 115.3 | 169 | -86.5 | -179.2 | -66.4 | 0 | 0 | 108.4 | V170 N174 | V170-Q172 PolarHBondContact O-N 2.98Å; Q172-N174 VanDerWaalsContact C-N 3.28Å; Q172-N174 PolarHBondContact O-N 3.29Å |
| 173 | P | 46.8 | Very low | 51.6 | Low | 112 Ų | 112 | 128.1 Ų | 128.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | -73.1 | 95.4 | 167.7 | 28.4 | -27.8 | 0 | 0 | 0 | 106.3 | V171 S175 | V171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-S175 PolarHBondContact O-N 3.21Å |
| 174 | N | 54.1 | Low | 51.7 | Low | 142 Ų | 142 | 126.8 Ų | 126.8 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | -76.6 | 41.1 | 176.1 | -130 | 50.1 | 0 | 0 | 0 | 111.9 | Q172 | Q172-N174 VanDerWaalsContact C-N 3.28Å; Q172-N174 PolarHBondContact O-N 3.29Å |
| 175 | S | 48.8 | Very low | 51.6 | Low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -154.9 | 120.2 | 173.2 | -61.1 | 0 | 0 | 0 | 0 | 109.6 | P173 P177 | P173-S175 PolarHBondContact O-N 3.21Å; S175-P177 WeakPolarHBondContact O-CD 3.36Å |
| 176 | I | 52.3 | Low | 52 | Low | 156 Ų | 156 | 127 Ų | 127 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | trans | -53 | 122 | 173.7 | -56.8 | 163.8 | 0 | 0 | 0 | 109.5 | S178 | I176-S178 PolarHBondContact O-N 3.06Š|
| 177 | P | 43.4 | Very low | 52.2 | Low | 120 Ų | 120 | 123.2 Ų | 123.2 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | | | trans | -74.3 | 104.9 | 159.6 | 27.6 | -27.5 | 0 | 0 | 0 | 107.4 | S175 A179 | S175-P177 WeakPolarHBondContact O-CD 3.36Å; P177-A179 PolarHBondContact O-N 3.2Å |
| 178 | S | 41.4 | Very low | 52.2 | Low | 97 Ų | 97 | 121.9 Ų | 121.9 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | trans | -56.5 | 109.7 | 166.7 | -55 | 0 | 0 | 0 | 0 | 107.9 | I176 I180 | I176-S178 PolarHBondContact O-N 3.06Å; S178-I180 PolarHBondContact O-N 3.5Å |
| 179 | A | 46.9 | Very low | 52.2 | Low | 87 Ų | 87 | 127.4 Ų | 127.4 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | | | trans | -64.8 | 91.7 | 163 | 0 | 0 | 0 | 0 | 0 | 107.2 | P177 Y181 | P177-A179 PolarHBondContact O-N 3.2Å; A179-Y181 PolarHBondContact O-N 3.36Å |
| 180 | I | 55.4 | Low | 52.2 | Low | 151 Ų | 151 | 128.6 Ų | 128.6 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | | | trans | -75.6 | 76.8 | 165.9 | -55.6 | 177.7 | 0 | 0 | 0 | 106.3 | S178 | S178-I180 PolarHBondContact O-N 3.5Š|
| 181 | Y | 40.8 | Very low | 52 | Low | 205 Ų | 205 | 129.9 Ų | 129.9 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -125.7 | 121 | 157.8 | -73.1 | -76.4 | 0 | 0 | 0 | 106.6 | A179 A183 | A179-Y181 PolarHBondContact O-N 3.36Å; Y181-A183 PolarHBondContact O-N 3.48Å |
| 182 | P | 57.1 | Low | 52 | Low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 133 | 167.3 | 25.9 | -29.5 | 0 | 0 | 0 | 108.5 | | |
| 183 | A | 54.1 | Low | 51.9 | Low | 83 Ų | 83 | 128 Ų | 128 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 137 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y181 V185 | Y181-A183 PolarHBondContact O-N 3.48Å; A183-V185 PolarHBondContact O-N 3.5Å; A183-V185 VanDerWaalsContact O-N 3.16Å |
| 184 | P | 60.5 | Low | 52 | Low | 129 Ų | 129 | 127.2 Ų | 127.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 122.4 | 173.9 | -23 | 32.8 | 0 | 0 | 0 | 110.3 | A186 | P184-A186 PolarHBondContact O-N 3.08Š|
| 185 | V | 60.9 | Low | 51.4 | Low | 140 Ų | 140 | 129.2 Ų | 129.2 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 125 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | A183 A187 | A183-V185 PolarHBondContact O-N 3.5Å; A183-V185 VanDerWaalsContact O-N 3.16Å; V185-A187 PolarHBondContact O-N 3.16Å |
| 186 | A | 58 | Low | 51.6 | Low | 92 Ų | 92 | 127.7 Ų | 127.7 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 123.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P184 | P184-A186 PolarHBondContact O-N 3.08Š|
| 187 | A | 63.8 | Low | 51.4 | Low | 83 Ų | 83 | 129.7 Ų | 129.7 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 138.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V185 R189 | V185-A187 PolarHBondContact O-N 3.16Å; A187-R189 PolarHBondContact O-N 3.24Å |
| 188 | P | 54.7 | Low | 51.9 | Low | 129 Ų | 129 | 130.8 Ų | 130.8 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 120.4 | 176.1 | -17.7 | 29.4 | 0 | 0 | 0 | 110.3 | T190 | P188-T190 PolarHBondContact O-N 3.39Š|
| 189 | R | 50.1 | Low | 52.1 | Low | 235 Ų | 235 | 130.9 Ų | 130.9 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | -80 | 104.7 | 167.6 | -65.9 | -164.9 | -169 | -169.6 | 5 | 108.5 | A187 N191 | A187-R189 PolarHBondContact O-N 3.24Å; R189-N191 PolarHBondContact O-N 3.45Å |
| 190 | T | 54 | Low | 52.1 | Low | 134 Ų | 134 | 130.4 Ų | 130.4 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | -58.1 | 112.4 | 158.4 | -85.8 | 0 | 0 | 0 | 0 | 108.4 | P188 | P188-T190 PolarHBondContact O-N 3.39Š|
| 191 | N | 44.6 | Very low | 51.6 | Low | 150 Ų | 150 | 129.3 Ų | 129.3 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | | | trans | -149.6 | 109.8 | 153.1 | -86.1 | -49.6 | 0 | 0 | 0 | 107.8 | R189 | R189-N191 PolarHBondContact O-N 3.45Š|
| 192 | G | 53.6 | Low | 52 | Low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | -71.7 | 142.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 193 | V | 49.7 | Very low | 51.7 | Low | 148 Ų | 148 | 127.7 Ų | 127.7 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | | | trans | -137.3 | 101.2 | 141.4 | -90.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 194 | A | 47.8 | Very low | 51.3 | Low | 95 Ų | 95 | 128.4 Ų | 128.4 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -71.5 | 125.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 195 | M | 42.7 | Very low | 50.9 | Low | 185 Ų | 185 | 130.9 Ų | 130.9 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | | | trans | -178.2 | 106.9 | 140 | -90.2 | -42.1 | -95.8 | 0 | 0 | 110.2 | | |
| 196 | G | 52.1 | Low | 50.6 | Low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | trans | 69.9 | 98.3 | 135.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 197 | M | 48 | Very low | 50.1 | Low | 198 Ų | 198 | 130.5 Ų | 130.5 | 98% | 0.975 | 83% | 0.826 | S | S | * | * | | | | -165.6 | 106.1 | 106.8 | -98.7 | -178.5 | -147.9 | 0 | 0 | 109.3 | | |
| 198 | V | 53.1 | Low | 49.3 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | | | trans | -72.5 | 140.7 | 169.4 | 158.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 199 | A | 47.2 | Very low | 49.1 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | | | trans | 0.2 | 130.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 200 | G | 45.3 | Very low | 48.7 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | | | trans | -175 | 105.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 201 | T | 46.7 | Very low | 48.2 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | trans | -43.4 | 139.1 | 168.6 | -27.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 202 | T | 48.5 | Very low | 48.3 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | | | trans | -168.5 | 121.4 | 131 | -72.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 203 | M | 50.5 | Low | 47.8 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | trans | -75 | 136.1 | 170.6 | -64.6 | 179.1 | -103 | 0 | 0 | 109.7 | | |
| 204 | A | 46.1 | Very low | 47.7 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -131.7 | 83.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 205 | M | 51.4 | Low | 47.9 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | | | trans | -82.7 | 104.5 | 163.1 | -68.8 | -180 | 177.9 | 0 | 0 | 107.5 | | |
| 206 | S | 54.1 | Low | 48.1 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | | | trans | -103.3 | 101.6 | 169.9 | 63.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 207 | A | 48.5 | Very low | 48.1 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | | | trans | -70 | 126 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 208 | G | 47.3 | Very low | 48.2 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -130.9 | 127.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 209 | T | 49.5 | Very low | 48.2 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -76.7 | 139.1 | -164.7 | 44 | 0 | 0 | 0 | 0 | 115.3 | | |
| 210 | L | 41.8 | Very low | 48.8 | Very low | 154 Ų | 154 | 126 Ų | 126 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | | | trans | 47.5 | 127.6 | 132.3 | -63.5 | 162.7 | 0 | 0 | 0 | 121.4 | | |
| 211 | L | 43.3 | Very low | 49 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | | | trans | 65.5 | 92.8 | 145.5 | -104.8 | 67.6 | 0 | 0 | 0 | 118.6 | | |
| 212 | T | 46.6 | Very low | 49.1 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -122.8 | 113.2 | 139 | 59 | 0 | 0 | 0 | 0 | 108.4 | | |
| 213 | T | 43.5 | Very low | 49.6 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | -38 | 131.3 | 174.5 | 46.1 | 0 | 0 | 0 | 0 | 114.6 | Q215 | T213-Q215 PolarHBondContact O-N 3.46Š|
| 214 | P | 47.6 | Very low | 50.3 | Low | 114 Ų | 114 | 125.6 Ų | 125.6 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | trans | -73.5 | 106.1 | 156.9 | -1.9 | 18.3 | 0 | 0 | 0 | 108.1 | H216 | P214-H216 PolarHBondContact O-N 3.28Š|
| 215 | Q | 52.4 | Low | 51.2 | Low | 185 Ų | 185 | 126.1 Ų | 126.1 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -73 | 81.3 | 159.7 | -78.6 | -174.9 | -30.7 | 0 | 0 | 108.2 | T213 | T213-Q215 PolarHBondContact O-N 3.46Š|
| 216 | H | 47.5 | Very low | 51.6 | Low | 167 Ų | 167 | 124.9 Ų | 124.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -110 | 110.4 | 156.9 | -75.7 | -77.8 | 0 | 0 | 0 | 107.4 | P214 A218 | P214-H216 PolarHBondContact O-N 3.28Å; H216-A218 PolarHBondContact O-N 2.97Å |
| 217 | T | 51.3 | Low | 51.9 | Low | 132 Ų | 132 | 124.6 Ų | 124.6 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | trans | -57.3 | 112.9 | 162.7 | -56.5 | 0 | 0 | 0 | 0 | 107.1 | I219 | T217-I219 PolarHBondContact O-N 3.43Š|
| 218 | A | 51 | Low | 52.8 | Low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -63.8 | 99.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | H216 G220 | H216-A218 PolarHBondContact O-N 2.97Å; A218-G220 PolarHBondContact O-N 3.32Å |
| 219 | I | 52.3 | Low | 52.6 | Low | 135 Ų | 135 | 133 Ų | 133 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | trans | -68.8 | 106.5 | 169.2 | -55.2 | 176.9 | 0 | 0 | 0 | 105.1 | T217 | T217-I219 PolarHBondContact O-N 3.43Š|
| 220 | G | 58.9 | Low | 53.1 | Low | 55 Ų | 55 | 138 Ų | 138 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | | | trans | -54.4 | 154.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | A218 H222 | A218-G220 PolarHBondContact O-N 3.32Å; G220-H222 PolarHBondContact O-N 3.5Å; G220-H222 PolarHBondContact O-ND1 3.28Å |
| 221 | A | 50 | Low | 53.9 | Low | 102 Ų | 102 | 134.9 Ų | 134.9 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -48.4 | 115.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P223 | A221-P223 WeakPolarHBondContact O-CD 3.44Š|
| 222 | H | 49.1 | Very low | 54.2 | Low | 141 Ų | 141 | 136.8 Ų | 136.8 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | | | trans | -71.1 | 119.5 | 169 | -12.2 | -70 | 0 | 0 | 0 | 106.8 | G220 V224 | G220-H222 PolarHBondContact O-N 3.5Å; G220-H222 PolarHBondContact O-ND1 3.28Å; H222-V224 PolarHBondContact O-N 2.78Å |
| 223 | P | 59.7 | Low | 55.1 | Low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | trans | -67.2 | 111 | 173.2 | 27.1 | -31.7 | 0 | 0 | 0 | 108.1 | A221 S225 | A221-P223 WeakPolarHBondContact O-CD 3.44Å; P223-S225 PolarHBondContact O-N 2.98Å |
| 224 | V | 64.3 | Low | 55.7 | Low | 119 Ų | 119 | 134.3 Ų | 134.3 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | trans | -69.3 | 101.7 | 166.8 | 177.6 | 0 | 0 | 0 | 0 | 106.7 | H222 M226 | H222-V224 PolarHBondContact O-N 2.78Å; V224-M226 PolarHBondContact O-N 3.05Å |
| 225 | S | 64.6 | Low | 56.2 | Low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -71.3 | 107.9 | 170.2 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | P223 | P223-S225 PolarHBondContact O-N 2.98Š|
| 226 | M | 60.8 | Low | 56.3 | Low | 154 Ų | 154 | 129.3 Ų | 129.3 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | -69.9 | 128.5 | 171.3 | -65.3 | -89.1 | -175.1 | 0 | 0 | 108.2 | V224 T228 | V224-M226 PolarHBondContact O-N 3.05Å; M226-T228 PolarHBondContact O-N 3.35Å |
| 227 | P | 60.3 | Low | 56.2 | Low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | | | trans | -65.7 | 120.4 | 171.7 | 24.6 | -29.9 | 0 | 0 | 0 | 109.5 | Y229 | P227-Y229 PolarHBondContact O-N 2.83Š|
| 228 | T | 66.6 | Low | 56.3 | Low | 139 Ų | 139 | 129.5 Ų | 129.5 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | | | trans | -60.3 | 109.4 | 170 | -68.3 | 0 | 0 | 0 | 0 | 109 | M226 R230 | M226-T228 PolarHBondContact O-N 3.35Å; T228-R230 PolarHBondContact O-N 3.04Å |
| 229 | Y | 44.6 | Very low | 56.3 | Low | 224 Ų | 224 | 135.2 Ų | 135.2 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 122.6 | 167.9 | -109.7 | -97.7 | 0 | 0 | 0 | 108.8 | P227 A231 | P227-Y229 PolarHBondContact O-N 2.83Å; Y229-A231 PolarHBondContact O-N 3.25Å |
| 230 | R | 58.2 | Low | 57 | Low | 232 Ų | 232 | 133.8 Ų | 133.8 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.8 | 172 | -174.1 | -174.5 | 179.2 | 144.9 | 1.2 | 108.9 | T228 Q232 | T228-R230 PolarHBondContact O-N 3.04Å; R230-Q232 PolarHBondContact O-N 2.98Å |
| 231 | A | 59.3 | Low | 57.3 | Low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 127.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y229 G233 | Y229-A231 PolarHBondContact O-N 3.25Å; A231-G233 PolarHBondContact O-N 3.03Å |
| 232 | Q | 50.5 | Low | 57.8 | Low | 193 Ų | 193 | 134.9 Ų | 134.9 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 117.3 | 175.9 | -162.8 | 170.3 | -0 | 0 | 0 | 107.9 | R230 | R230-Q232 PolarHBondContact O-N 2.98Š|
| 233 | G | 63.8 | Low | 58.2 | Low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 143.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A231 P235 | A231-G233 PolarHBondContact O-N 3.03Å; G233-P235 WeakPolarHBondContact O-CD 3.49Å |
| 234 | T | 57.7 | Low | 57.8 | Low | 135 Ų | 135 | 144.2 Ų | 144.2 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 124.8 | 177.5 | -47.5 | 0 | 0 | 0 | 0 | 110.7 | A236 | T234-A236 PolarHBondContact O-N 3.01Š|
| 235 | P | 57.7 | Low | 57.4 | Low | 98 Ų | 98 | 145.5 Ų | 145.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | trans | -66.8 | 102.8 | 171.9 | -16.4 | 29.7 | 0 | 0 | 0 | 109.2 | G233 Y237 | G233-P235 WeakPolarHBondContact O-CD 3.49Å; P235-Y237 HydrophobicContact CB-CD2 4.28Å; P235-Y237 HydrophobicContact CB-CE2 4.15Å; P235-Y237 PolarHBondContact O-N 2.92Å |
| 236 | A | 54.9 | Low | 57.1 | Low | 95 Ų | 95 | 147.4 Ų | 147.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -74.1 | 92.1 | 170 | 0 | 0 | 0 | 0 | 0 | 108.4 | T234 S238 | T234-A236 PolarHBondContact O-N 3.01Å; A236-S238 VanDerWaalsContact C-N 3.27Å; A236-S238 PolarHBondContact O-N 2.98Å |
| 237 | Y | 45.8 | Very low | 56.9 | Low | 202 Ų | 202 | 147 Ų | 147 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | trans | -70.5 | 90.2 | 163.3 | -80.9 | -85.2 | 0 | 0 | 0 | 108.1 | P235 Y239 | P235-Y237 HydrophobicContact CB-CD2 4.28Å; P235-Y237 HydrophobicContact CB-CE2 4.15Å; P235-Y237 PolarHBondContact O-N 2.92Å; Y237-Y239 PolarHBondContact O-N 3.19Å |
| 238 | S | 52.7 | Low | 56.7 | Low | 102 Ų | 102 | 149.1 Ų | 149.1 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -75.2 | 99.8 | 170.9 | -169.8 | 0 | 0 | 0 | 0 | 108.5 | A236 V240 | A236-S238 VanDerWaalsContact C-N 3.27Å; A236-S238 PolarHBondContact O-N 2.98Å; S238-V240 PolarHBondContact O-N 3.18Å |
| 239 | Y | 51.1 | Low | 56 | Low | 215 Ų | 215 | 149.8 Ų | 149.8 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | -69.6 | 107.1 | 166.9 | -95.6 | -92 | 0 | 0 | 0 | 108.7 | Y237 | Y237-Y239 PolarHBondContact O-N 3.19Š|
| 240 | V | 66.1 | Low | 56.8 | Low | 105 Ų | 105 | 144.8 Ų | 144.8 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 122.2 | 163.4 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | S238 | S238-V240 PolarHBondContact O-N 3.18Š|
| 241 | P | 65.5 | Low | 56.7 | Low | 97 Ų | 97 | 138.6 Ų | 138.6 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 139.9 | 176.2 | -17.2 | 29.9 | 0 | 0 | 0 | 110.6 | H243 | P241-H243 PolarHBondContact O-N 3.38Š|
| 242 | P | 61.3 | Low | 56.5 | Low | 82 Ų | 82 | 142.4 Ų | 142.4 | 53% | 0.532 | 76% | 0.758 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 129.8 | 170.8 | -10.5 | 25.2 | 0 | 0 | 0 | 109.2 | W244 | P242-W244 HydrophobicContact CB-CD2 4.38Å; P242-W244 HydrophobicContact CB-CH2 4.32Å; P242-W244 HydrophobicContact CB-CZ2 3.56Å; P242-W244 HydrophobicContact CG-CH2 4.18Å; P242-W244 HydrophobicContact CG-CZ2 3.65Å |
| 243 | H | 56.8 | Low | 57 | Low | 171 Ų | 171 | 138.2 Ų | 138.2 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 116.7 | 169.3 | -9.5 | -80.1 | 0 | 0 | 0 | 107.8 | P241 | P241-H243 PolarHBondContact O-N 3.38Š|
| 244 | W | 50.9 | Low | 56.4 | Low | 292 Ų | 292 | 144.9 Ų | 144.9 | 100% | 1.106 | 75% | 0.754 | S | S | * | * | | | trans | -128.6 | 0 | 157.2 | -25.2 | -81 | 0 | 0 | 0 | 107.8 | P242 | P242-W244 HydrophobicContact CB-CD2 4.38Å; P242-W244 HydrophobicContact CB-CH2 4.32Å; P242-W244 HydrophobicContact CB-CZ2 3.56Å; P242-W244 HydrophobicContact CG-CH2 4.18Å; P242-W244 HydrophobicContact CG-CZ2 3.65Å |