| 1 | M | 39.5 | Very low | 53.3 | Low | 244 Ų | 244 | 153.9 Ų | 153.9 | 100% | 1.202 | 84% | 0.843 | S | S | * | * | | | | 0 | 138.8 | 0 | -70 | 154.9 | 71.7 | 0 | 0 | 106.7 | | |
| 2 | S | 46.7 | Very low | 53.9 | Low | 124 Ų | 124 | 150.4 Ų | 150.4 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | | | trans | -78.2 | 147.5 | -174.2 | -49.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 3 | S | 54.4 | Low | 52.9 | Low | 124 Ų | 124 | 155.2 Ų | 155.2 | 87% | 0.867 | 84% | 0.841 | S | S | * | * | | | trans | -133.9 | 120.6 | 156.2 | -63.5 | 0 | 0 | 0 | 0 | 106.5 | | |
| 4 | E | 49.5 | Very low | 52.5 | Low | 175 Ų | 175 | 156.6 Ų | 156.6 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | | | trans | -83.1 | 142.2 | -165.7 | -165.8 | 159.9 | 82.6 | 0 | 0 | 111.6 | L6 | E4-L6 PolarHBondContact O-N 3.29Š|
| 5 | A | 58.9 | Low | 52 | Low | 95 Ų | 95 | 155.3 Ų | 155.3 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | | | trans | -81.3 | 99 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 6 | L | 58.9 | Low | 51.4 | Low | 149 Ų | 149 | 153.6 Ų | 153.6 | 78% | 0.78 | 83% | 0.83 | S | S | * | * | | | trans | -61.2 | 130.3 | 172.1 | -65 | 175.6 | 0 | 0 | 0 | 109.8 | E4 L8 | E4-L6 PolarHBondContact O-N 3.29Å; L6-L8 PolarHBondContact O-N 2.98Å |
| 7 | P | 61.3 | Low | 51 | Low | 107 Ų | 107 | 150.8 Ų | 150.8 | 70% | 0.695 | 82% | 0.819 | S | S | * | * | | | trans | -67.8 | 124.1 | 174.3 | 27.7 | -32.9 | 0 | 0 | 0 | 109.7 | I9 | P7-I9 PolarHBondContact O-N 3.31Å; P7-I9 VanDerWaalsContact O-N 3.08Å |
| 8 | L | 51.5 | Low | 50.7 | Low | 159 Ų | 159 | 152.6 Ų | 152.6 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | -68.8 | 103.2 | 170.4 | -92.9 | 158.5 | 0 | 0 | 0 | 109 | L6 F10 | L6-L8 PolarHBondContact O-N 2.98Å; L8-F10 PolarHBondContact O-N 2.73Å |
| 9 | I | 59.3 | Low | 49.9 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | -76.2 | 63.7 | 173.7 | -53 | 168.8 | 0 | 0 | 0 | 108.9 | P7 | P7-I9 PolarHBondContact O-N 3.31Å; P7-I9 VanDerWaalsContact O-N 3.08Å |
| 10 | F | 49.5 | Very low | 49.1 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 80% | 0.803 | 81% | 0.813 | S | S | * | * | | | trans | -156.9 | 79.1 | 170 | -90.9 | -67.9 | 0 | 0 | 0 | 109 | L8 P12 | L8-F10 PolarHBondContact O-N 2.73Å; F10-P12 WeakPolarHBondContact O-CD 3.49Å |
| 11 | E | 57.1 | Low | 49 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 118.4 | 152.1 | -69.3 | -178.2 | 147.4 | 0 | 0 | 107.1 | F13 | E11-F13 PolarHBondContact O-N 3.2Š|
| 12 | P | 60.7 | Low | 48.8 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 129.2 | 168.5 | 29.8 | -31.8 | 0 | 0 | 0 | 108.3 | F10 E14 | F10-P12 WeakPolarHBondContact O-CD 3.49Å; P12-E14 PolarHBondContact O-N 3.2Å |
| 13 | F | 40.5 | Very low | 48.1 | Very low | 213 Ų | 213 | 140.1 Ų | 140.1 | 93% | 0.934 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 122.7 | 174.4 | -73.8 | -87.7 | 0 | 0 | 0 | 110.1 | E11 D15 | E11-F13 PolarHBondContact O-N 3.2Å; F13-D15 PolarHBondContact O-N 3.36Å |
| 14 | E | 47.4 | Very low | 47 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -71.1 | 111.8 | -178.2 | -64.5 | -173.7 | 118.3 | 0 | 0 | 111.1 | P12 T16 | P12-E14 PolarHBondContact O-N 3.2Å; E14-T16 PolarHBondContact O-N 2.73Å; E14-T16 PolarHBondContact O-OG1 3.34Å |
| 15 | D | 45.3 | Very low | 46.4 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | | | trans | -61.4 | 115.5 | 167.3 | 179 | 2.4 | 0 | 0 | 0 | 109.3 | F13 T17 | F13-D15 PolarHBondContact O-N 3.36Å; D15-T17 PolarHBondContact OD1-N 3.04Å; D15-T17 PolarHBondContact OD1-OG1 3.14Å |
| 16 | T | 41.6 | Very low | 45.3 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -122.9 | 55.8 | -179.1 | 36.2 | 0 | 0 | 0 | 0 | 110.7 | E14 E18 | E14-T16 PolarHBondContact O-N 2.73Å; E14-T16 PolarHBondContact O-OG1 3.34Å; T16-E18 PolarHBondContact O-N 3.01Å |
| 17 | T | 44.3 | Very low | 44.1 | Very low | 105 Ų | 105 | 138 Ų | 138 | 64% | 0.644 | 80% | 0.803 | S | S | * | * | | | trans | -71.5 | 118.1 | 169.9 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | D15 | D15-T17 PolarHBondContact OD1-N 3.04Å; D15-T17 PolarHBondContact OD1-OG1 3.14Å |
| 18 | E | 46.8 | Very low | 42.8 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | 57.7 | 116.6 | 163.9 | -65 | -173.6 | -171.8 | 0 | 0 | 120.8 | T16 | T16-E18 PolarHBondContact O-N 3.01Š|
| 19 | E | 35.7 | Very low | 42 | Very low | 197 Ų | 197 | 135 Ų | 135 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | | -149.8 | 155.1 | 106.4 | -140.9 | -165.5 | 163.3 | 0 | 0 | 111.5 | | |
| 20 | G | 32.8 | Very low | 41 | Very low | 54 Ų | 54 | 134.1 Ų | 134.1 | 56% | 0.557 | 81% | 0.812 | S | S | * | * | | | trans | -113.2 | -160.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 21 | P | 47.2 | Very low | 40.3 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | | | cis | -131.8 | -168.5 | 2.5 | 42.4 | -26.4 | 0 | 0 | 0 | 114.4 | | |
| 22 | A | 36 | Very low | 39.4 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | 78.7 | 99.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 23 | G | 31.1 | Very low | 38.3 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | 176.9 | 89.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 24 | A | 32.3 | Very low | 38.4 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | 53.6 | 86.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 25 | A | 36 | Very low | 37.9 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | | | | 37.6 | 111.5 | 127.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 26 | A | 36.3 | Very low | 37.6 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -153.2 | 117.1 | 130.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 27 | E | 33 | Very low | 37.4 | Very low | 196 Ų | 196 | 123.2 Ų | 123.2 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | | 48.3 | 121.5 | 86.6 | -66.3 | -151.8 | 154.7 | 0 | 0 | 114.4 | | |
| 28 | A | 34.1 | Very low | 37 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | | | cis | -147.2 | 167 | 0.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 29 | A | 35.3 | Very low | 36.3 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -83.2 | 158.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 30 | V | 37 | Very low | 36.7 | Very low | 135 Ų | 135 | 116.7 Ų | 116.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -75.5 | 144 | 169.6 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 31 | V | 36.2 | Very low | 37.1 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | | | trans | 160.8 | 129.9 | 132.1 | 159.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 32 | S | 37.7 | Very low | 36.7 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 69% | 0.685 | 83% | 0.825 | S | S | * | * | | | trans | -20.1 | 137.7 | 163.4 | -43.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 33 | Q | 37.2 | Very low | 36.8 | Very low | 200 Ų | 200 | 128.9 Ų | 128.9 | 94% | 0.935 | 82% | 0.823 | S | S | * | * | | | | -168.5 | 169 | 101.2 | -102.7 | 164.9 | 108.3 | 0 | 0 | 112.8 | | |
| 34 | A | 42.8 | Very low | 37.6 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | | | trans | -122.7 | 153 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 35 | L | 37 | Very low | 38.2 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -152.9 | 119.6 | 160.1 | -158.2 | 69.6 | 0 | 0 | 0 | 113 | | |
| 36 | V | 39.9 | Very low | 38.3 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | 30.1 | 117.8 | 150.4 | -174.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 37 | G | 36.9 | Very low | 38.5 | Very low | 76 Ų | 76 | 133.8 Ų | 133.8 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | -140.6 | 133.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 38 | D | 35.4 | Very low | 39.1 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | | | trans | -83.3 | 165.7 | -173.6 | -146.3 | -27.4 | 0 | 0 | 0 | 112.6 | | |
| 39 | G | 33.3 | Very low | 39.4 | Very low | 60 Ų | 60 | 131.5 Ų | 131.5 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | | | trans | -79.2 | -160.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 40 | P | 44.2 | Very low | 40.1 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | cis | -131.7 | 174 | 13.7 | 42.8 | -27.7 | 0 | 0 | 0 | 116.7 | | |
| 41 | S | 41.2 | Very low | 40.8 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | 60.2 | 91.8 | 153.4 | -59.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 42 | R | 37.4 | Very low | 41.3 | Very low | 247 Ų | 247 | 139 Ų | 139 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | | | | -147.3 | 132.2 | 128.2 | -160.7 | 168.3 | -175.7 | 166.9 | 0.3 | 109.7 | | |
| 43 | E | 39.3 | Very low | 42.1 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -66.3 | 150.2 | -179.4 | -68.9 | 168.7 | 106.3 | 0 | 0 | 112 | | |
| 44 | P | 46.3 | Very low | 42.7 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -63.4 | 145.7 | 159.9 | 30.9 | -34.1 | 0 | 0 | 0 | 109 | A46 | P44-A46 PolarHBondContact O-N 3.05Š|
| 45 | P | 45.9 | Very low | 42.9 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -63.9 | 114.2 | 178 | 26.6 | -33.4 | 0 | 0 | 0 | 109.8 | L47 | P45-L47 PolarHBondContact O-N 2.81Š|
| 46 | A | 37.7 | Very low | 43.6 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | trans | -61.5 | 106.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | P44 L48 | P44-A46 PolarHBondContact O-N 3.05Å; A46-L48 PolarHBondContact O-N 3.02Å |
| 47 | L | 40.7 | Very low | 43.9 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -63.2 | 111.7 | 169.9 | -74.6 | 174.9 | 0 | 0 | 0 | 107.4 | P45 | P45-L47 PolarHBondContact O-N 2.81Š|
| 48 | L | 44.7 | Very low | 44.5 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 71% | 0.707 | 78% | 0.782 | S | S | * | * | | | trans | -59.2 | 139.2 | -165.1 | -66.6 | 166.5 | 0 | 0 | 0 | 111.1 | A46 E50 | A46-L48 PolarHBondContact O-N 3.02Å; L48-E50 HydrophobicContact CB-CB 4.3Å; L48-E50 PolarHBondContact O-N 2.83Å |
| 49 | S | 42.4 | Very low | 45.2 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -74.4 | 35.9 | 179.8 | -47.5 | 0 | 0 | 0 | 0 | 113.1 | W51 | S49-W51 PolarHBondContact O-N 2.97Š|
| 50 | E | 48.9 | Very low | 45.9 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -86.7 | 38.7 | -165.4 | -153.7 | 171 | 168.8 | 0 | 0 | 113.6 | L48 | L48-E50 HydrophobicContact CB-CB 4.3Å; L48-E50 PolarHBondContact O-N 2.83Å |
| 51 | W | 52.1 | Low | 46 | Very low | 257 Ų | 257 | 142.5 Ų | 142.5 | 97% | 0.973 | 79% | 0.794 | S | S | * | * | | | trans | -122.3 | 41.5 | 163.2 | -90.2 | -5.8 | 0 | 0 | 0 | 111.3 | S49 | S49-W51 PolarHBondContact O-N 2.97Š|
| 52 | T | 47.3 | Very low | 46.5 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 69% | 0.693 | 80% | 0.795 | S | S | * | * | | | trans | -83 | 106.5 | 161.4 | 52.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 53 | S | 54.5 | Low | 46.7 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 56% | 0.559 | 79% | 0.793 | S | S | * | * | | | trans | -61.4 | 145.3 | -175.2 | -55.6 | 0 | 0 | 0 | 0 | 113 | W55 | S53-W55 PolarHBondContact O-N 3.14Š|
| 54 | P | 48.5 | Very low | 47 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -2.9 | -170.9 | -25.9 | 35.5 | 0 | 0 | 0 | 117.4 | | |
| 55 | W | 46.6 | Very low | 47.1 | Very low | 215 Ų | 215 | 141.9 Ų | 141.9 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -9.5 | -171 | -45.1 | 92 | 0 | 0 | 0 | 114 | S53 | S53-W55 PolarHBondContact O-N 3.14Š|
| 56 | Q | 53.5 | Low | 46.7 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -91.7 | -14.8 | 179.8 | -90.4 | -170.1 | -15.6 | 0 | 0 | 114.8 | S58 | Q56-S58 VanDerWaalsContact C-N 3.26Å; Q56-S58 PolarHBondContact O-N 3.09Å; Q56-S58 VanDerWaalsContact O-N 3.14Å |
| 57 | A | 44.8 | Very low | 46.5 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -88 | 41.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 58 | S | 50.2 | Low | 46.5 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -150.7 | 97.9 | 178.5 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | Q56 | Q56-S58 VanDerWaalsContact C-N 3.26Å; Q56-S58 PolarHBondContact O-N 3.09Å; Q56-S58 VanDerWaalsContact O-N 3.14Å |
| 59 | G | 50.7 | Low | 45.9 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 151.7 | 22.2 | 177 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 60 | S | 47.8 | Very low | 45.4 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -160.5 | 50.9 | 175.5 | 45.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 61 | E | 46.1 | Very low | 44.6 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | | | trans | -130.3 | 56.8 | 172.5 | 63 | -179.5 | 114.5 | 0 | 0 | 114.6 | | |
| 62 | L | 51.3 | Low | 43.8 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | -152.6 | 95.1 | 156.7 | -160.1 | 81.9 | 0 | 0 | 0 | 112.6 | | |
| 63 | L | 40.7 | Very low | 43.1 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | | | trans | 176.2 | 100.9 | 146.2 | -99.5 | 160.2 | 0 | 0 | 0 | 109.5 | | |
| 64 | E | 46.5 | Very low | 42 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 84% | 0.836 | 84% | 0.84 | S | S | * | * | | | trans | -73.1 | 139.4 | 169.7 | -71.1 | -174.2 | 91.7 | 0 | 0 | 111.5 | | |
| 65 | P | 47.3 | Very low | 41.1 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | | | trans | -110.7 | 89.8 | 167.2 | 36.2 | -26.3 | 0 | 0 | 0 | 111.8 | | |
| 66 | V | 39.1 | Very low | 40.3 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | | | trans | -142.7 | 130.7 | 161.9 | 78.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 67 | G | 33.6 | Very low | 39.1 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | | | trans | 142.3 | 100 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 68 | A | 39.5 | Very low | 38.3 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 96% | 0.959 | 83% | 0.833 | S | S | * | * | | | trans | -74.6 | 130.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 69 | G | 32.1 | Very low | 37.3 | Very low | 76 Ų | 76 | 139.3 Ų | 139.3 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | | | trans | -145.3 | 105.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 70 | T | 33.3 | Very low | 36.3 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 83% | 0.828 | 84% | 0.838 | S | S | * | * | | | trans | -74.8 | 131.2 | -179.4 | -50.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 71 | T | 31.8 | Very low | 35.4 | Very low | 141 Ų | 141 | 146 Ų | 146 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | | | | -179.9 | 152.9 | 121.9 | 27.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 72 | A | 34.1 | Very low | 34.6 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | -81.6 | 143.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 73 | S | 33.2 | Very low | 33.7 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | | -167.9 | 104.4 | 127.4 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 74 | Q | 32.4 | Very low | 33.1 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | | | trans | -134.8 | 104.7 | 157.7 | -164.7 | 172.1 | 66.3 | 0 | 0 | 109.1 | | |
| 75 | R | 29.5 | Very low | 32.6 | Very low | 211 Ų | 211 | 141 Ų | 141 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | | | trans | -87.3 | 128.6 | -179.3 | -179 | 178.1 | 177.1 | -128.4 | 0.4 | 108.9 | | |
| 76 | Q | 29.1 | Very low | 32.4 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | | | | 26.4 | 127.9 | 128.2 | -107.2 | -170.2 | -47.6 | 0 | 0 | 116.3 | | |
| 77 | V | 28.4 | Very low | 31.8 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | cis | -154.5 | 156 | 35.8 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 78 | Q | 28.3 | Very low | 31.7 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -105.4 | 164.2 | 160.5 | -80.1 | -172.8 | -10.9 | 0 | 0 | 110.4 | | |
| 79 | T | 28.9 | Very low | 31.3 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | 66.4 | 156.3 | -177.1 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 80 | E | 30 | Very low | 31.5 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | cis | -125.2 | -179.2 | 35.4 | -70.2 | 161.6 | 126.6 | 0 | 0 | 115.7 | | |
| 81 | Q | 28.3 | Very low | 31.5 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 71% | 0.71 | 79% | 0.793 | S | S | * | * | | | trans | -138.6 | 158.4 | -166 | -177 | -165.9 | -28.6 | 0 | 0 | 109.6 | | |
| 82 | E | 28.3 | Very low | 31.5 | Very low | 140 Ų | 140 | 143 Ų | 143 | 65% | 0.654 | 79% | 0.787 | S | S | * | * | | | trans | 80.8 | 148.4 | 158.9 | -126.4 | 90.8 | 110.4 | 0 | 0 | 120 | | |
| 83 | E | 33.1 | Very low | 31.7 | Very low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | 12.6 | 131 | 154.2 | -71 | 169.9 | 157.2 | 0 | 0 | 122.6 | | |
| 84 | D | 27.8 | Very low | 31.9 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | | -155.2 | 162.6 | 96.2 | -161 | 2.3 | 0 | 0 | 0 | 110.9 | | |
| 85 | H | 36.8 | Very low | 32.4 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | | | trans | -160.7 | 129.7 | 172.6 | 44.4 | -96.9 | 0 | 0 | 0 | 112.2 | | |
| 86 | P | 42.5 | Very low | 32.9 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | | -153 | 155.8 | 124.2 | 36.2 | -19.6 | 0 | 0 | 0 | 117.7 | | |
| 87 | G | 26.5 | Very low | 33.7 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | | | trans | 117.9 | 135.9 | 131.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 88 | T | 32.5 | Very low | 34.4 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | trans | 62.8 | 151.4 | 174 | 14.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 89 | G | 30.4 | Very low | 34.9 | Very low | 70 Ų | 70 | 139.2 Ų | 139.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | cis | 160.4 | 159.5 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 90 | E | 35.5 | Very low | 35.8 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | cis | -154.9 | 146.1 | -8.3 | -58.7 | -167.5 | 106 | 0 | 0 | 110.6 | | |
| 91 | E | 33.3 | Very low | 36.4 | Very low | 198 Ų | 198 | 136 Ų | 136 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | trans | 55.4 | 155.3 | 156.4 | -60.6 | -160.2 | 135.9 | 0 | 0 | 125.3 | | |
| 92 | G | 33 | Very low | 37.1 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | | | trans | 91.3 | 143 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 93 | T | 38.6 | Very low | 37.4 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | cis | -146.1 | 157.5 | -8.9 | 53.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 94 | S | 35.8 | Very low | 37.7 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -104.2 | 138.8 | 174.5 | 69.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 95 | F | 43.3 | Very low | 38.5 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | | | trans | -127.9 | 119.9 | 164.9 | -79.6 | -79.4 | 0 | 0 | 0 | 111 | | |
| 96 | H | 39.7 | Very low | 38.7 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 65% | 0.653 | 78% | 0.781 | S | S | * | * | | | trans | -65.6 | 151.1 | 170.2 | 43.7 | -89.8 | 0 | 0 | 0 | 110.5 | | |
| 97 | N | 46.4 | Very low | 38.5 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | | | trans | -134.2 | 137.9 | 155.3 | -97.2 | -48 | 0 | 0 | 0 | 109.1 | | |
| 98 | T | 42.8 | Very low | 39.2 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | trans | -92.6 | 152.6 | -155.6 | -50.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 99 | M | 39 | Very low | 39.6 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 84% | 0.837 | 78% | 0.777 | S | S | * | * | | | trans | -56.4 | 144.4 | 172.5 | -68.9 | 175.6 | 164.8 | 0 | 0 | 112.7 | | |
| 100 | T | 47.8 | Very low | 40.3 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -130.2 | 97.3 | 157.6 | -62.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 101 | T | 42.1 | Very low | 40.7 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | -60.5 | 147.3 | 158.6 | -38.1 | 0 | 0 | 0 | 0 | 108 | | |
| 102 | I | 43.1 | Very low | 41.2 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | cis | -138.4 | -166.9 | 33.1 | -11.6 | 175.8 | 0 | 0 | 0 | 108.1 | | |
| 103 | A | 35.4 | Very low | 41.9 | Very low | 85 Ų | 85 | 146.2 Ų | 146.2 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | | | cis | -152.9 | -164.6 | 17.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 104 | S | 38.8 | Very low | 42.1 | Very low | 94 Ų | 94 | 143.9 Ų | 143.9 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | | | trans | -52 | 160 | 163.9 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 105 | H | 44.4 | Very low | 42.3 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | | | cis | -135.1 | 137.7 | 26.6 | -68.9 | -105.6 | 0 | 0 | 0 | 114.4 | | |
| 106 | Q | 41.9 | Very low | 42.4 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -82.4 | 124.2 | 152.7 | -69.5 | -171.3 | 84.7 | 0 | 0 | 108.8 | | |
| 107 | L | 37.7 | Very low | 43.1 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | trans | -130.8 | 94.4 | 163 | -155.5 | 88.1 | 0 | 0 | 0 | 109.1 | H109 | L107-H109 PolarHBondContact O-N 2.96Š|
| 108 | L | 41.4 | Very low | 43 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | | | trans | -82.5 | 77.2 | -170.1 | -170.6 | 80.6 | 0 | 0 | 0 | 112.1 | | |
| 109 | H | 41.1 | Very low | 42.9 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | | | trans | -113 | 137.2 | 169.6 | -69.8 | -89.8 | 0 | 0 | 0 | 111.7 | L107 | L107-H109 PolarHBondContact O-N 2.96Š|
| 110 | K | 44.3 | Very low | 43.2 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | -98.4 | 114.9 | -176.4 | -62.6 | 114.1 | 64.5 | 178.2 | 0 | 111.2 | | |
| 111 | S | 43.8 | Very low | 43 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -148 | 123.1 | 152.1 | -65.4 | 0 | 0 | 0 | 0 | 104.8 | | |
| 112 | R | 44.6 | Very low | 43.1 | Very low | 223 Ų | 223 | 154.6 Ų | 154.6 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | | | cis | 62.2 | 112.6 | 44 | -172.5 | 174.9 | 167.4 | 154.9 | -2 | 112.4 | | |
| 113 | T | 46.9 | Very low | 43.2 | Very low | 121 Ų | 121 | 155 Ų | 155 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | 57.1 | 123 | 169.1 | 46.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 114 | G | 43.2 | Very low | 43.8 | Very low | 77 Ų | 77 | 156.8 Ų | 156.8 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | 161.5 | 65.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 115 | I | 40.4 | Very low | 44.3 | Very low | 160 Ų | 160 | 160.9 Ų | 160.9 | 82% | 0.821 | 82% | 0.816 | S | S | * | * | | | trans | -148.4 | 33.9 | 166.6 | -165.8 | 163 | 0 | 0 | 0 | 110.4 | | |
| 116 | E | 45.9 | Very low | 44.6 | Very low | 174 Ų | 174 | 159.8 Ų | 159.8 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -131.3 | 40.7 | -171.1 | -67.8 | 170 | -113.7 | 0 | 0 | 110.3 | | |
| 117 | E | 54.1 | Low | 45 | Very low | 186 Ų | 186 | 159.4 Ų | 159.4 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | trans | -150.4 | 148.8 | 174.2 | -108.8 | 178.7 | 117.4 | 0 | 0 | 108.6 | | |
| 118 | M | 44 | Very low | 46 | Very low | 191 Ų | 191 | 160.3 Ų | 160.3 | 94% | 0.941 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 84.6 | 32.7 | 175.7 | 96.4 | -166.7 | 158.9 | 0 | 0 | 120.8 | | |
| 119 | E | 41.3 | Very low | 46.7 | Very low | 191 Ų | 191 | 161.7 Ų | 161.7 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | | | trans | -131.7 | 68.6 | 150.4 | -162.9 | 173.7 | 146.1 | 0 | 0 | 109.4 | | |
| 120 | S | 45 | Very low | 47.3 | Very low | 124 Ų | 124 | 162 Ų | 162 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | | | trans | -155.4 | 84.1 | 176.8 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 121 | E | 42.9 | Very low | 47.7 | Very low | 174 Ų | 174 | 159.4 Ų | 159.4 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | | | trans | -141.3 | 133.2 | 168.1 | 65.5 | -175.2 | 94.8 | 0 | 0 | 109.3 | | |
| 122 | E | 45.5 | Very low | 48.2 | Very low | 156 Ų | 156 | 162.1 Ų | 162.1 | 73% | 0.729 | 83% | 0.825 | S | S | * | * | | | trans | 43.7 | 101 | 163.8 | -31.8 | -53.7 | 78.1 | 0 | 0 | 120 | | |
| 123 | L | 44.2 | Very low | 48.6 | Very low | 171 Ų | 171 | 156.7 Ų | 156.7 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | | | | -150.9 | 134.1 | 113.2 | -169.9 | 63.4 | 0 | 0 | 0 | 109.8 | | |
| 124 | D | 47.8 | Very low | 48.9 | Very low | 122 Ų | 122 | 156.8 Ų | 156.8 | 65% | 0.652 | 82% | 0.818 | S | S | * | * | | | trans | -83.8 | 174.3 | -156.3 | -51.6 | -103.5 | 0 | 0 | 0 | 116.1 | | |
| 125 | E | 50.4 | Low | 49.3 | Very low | 179 Ų | 179 | 161.7 Ų | 161.7 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | | | trans | -91.3 | 104.1 | 178.5 | -64.4 | 156.3 | 136 | 0 | 0 | 110.4 | E127 | E125-E127 PolarHBondContact O-N 2.91Š|
| 126 | D | 49.2 | Very low | 49.6 | Very low | 154 Ų | 154 | 162.1 Ų | 162.1 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | | | trans | -91.3 | 80.8 | 167.4 | -73 | -43.4 | 0 | 0 | 0 | 109.6 | D128 | D126-D128 PolarHBondContact O-N 3.07Š|
| 127 | E | 51.3 | Low | 49.6 | Very low | 177 Ų | 177 | 159.7 Ų | 159.7 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | | | trans | -82.8 | 78.9 | 171.4 | -70.8 | -170.1 | 130.6 | 0 | 0 | 111.3 | E125 E129 | E125-E127 PolarHBondContact O-N 2.91Å; E127-E129 VanDerWaalsContact C-N 3.27Å; E127-E129 PolarHBondContact O-N 3.33Å |
| 128 | D | 59.6 | Low | 49.5 | Very low | 162 Ų | 162 | 156.7 Ų | 156.7 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | -76.9 | 71.6 | 170 | -79.7 | -36.1 | 0 | 0 | 0 | 111.4 | D126 | D126-D128 PolarHBondContact O-N 3.07Š|
| 129 | E | 55 | Low | 49.5 | Very low | 182 Ų | 182 | 155 Ų | 155 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | -90.9 | 103.1 | 159.4 | -74.3 | -162.1 | 154.8 | 0 | 0 | 110.2 | E127 | E127-E129 VanDerWaalsContact C-N 3.27Å; E127-E129 PolarHBondContact O-N 3.33Å |
| 130 | D | 53.6 | Low | 49.5 | Very low | 167 Ų | 167 | 154 Ų | 154 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | trans | -170.6 | 168.2 | 144.3 | -117.9 | -28.1 | 0 | 0 | 0 | 115.3 | | |
| 131 | D | 53.5 | Low | 49.5 | Very low | 139 Ų | 139 | 154.5 Ų | 154.5 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | 71.6 | 86 | 162.8 | -135.5 | 13.9 | 0 | 0 | 0 | 120.1 | | |
| 132 | E | 53 | Low | 49.6 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | 23.9 | 146.9 | 132.6 | -52.9 | -162.9 | 158.5 | 0 | 0 | 123.4 | | |
| 133 | N | 53.1 | Low | 49.8 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 58% | 0.583 | 78% | 0.784 | S | S | * | * | | | trans | 67.3 | 114.2 | 145 | -165.6 | -6.3 | 0 | 0 | 0 | 119.2 | E135 | N133-E135 WeakPolarHBondContact OD1-CG 3.28Å; N133-E135 PolarHBondContact OD1-N 3.41Å |
| 134 | S | 54 | Low | 49.7 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -144.9 | 60.5 | 150.1 | -72.1 | 0 | 0 | 0 | 0 | 110 | E136 | S134-E136 PolarHBondContact O-N 3.48Š|
| 135 | E | 52 | Low | 49.1 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | -77.6 | 35.2 | 175.4 | 72.7 | -167.7 | 47 | 0 | 0 | 113.6 | N133 | N133-E135 WeakPolarHBondContact OD1-CG 3.28Å; N133-E135 PolarHBondContact OD1-N 3.41Å |
| 136 | E | 46.1 | Very low | 48.9 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -133.2 | 94.1 | -176.2 | -167.1 | -168.1 | 135.8 | 0 | 0 | 113.4 | S134 | S134-E136 PolarHBondContact O-N 3.48Š|
| 137 | S | 46.1 | Very low | 48.6 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -160 | 86 | 138.1 | -82 | 0 | 0 | 0 | 0 | 108.2 | | |
| 138 | V | 52.7 | Low | 47.8 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | | | trans | -66.7 | 146.5 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 139 | E | 43.3 | Very low | 46.7 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | | | trans | 27.2 | 115.1 | 166.3 | -53.4 | -49.3 | 92.7 | 0 | 0 | 119.7 | | |
| 140 | E | 42.5 | Very low | 46.2 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -132.4 | 60.8 | 138.4 | -159.3 | 178.9 | 170.3 | 0 | 0 | 111 | S142 | E140-S142 WeakPolarHBondContact CG-OG 3.11Å; E140-S142 PolarHBondContact O-N 2.81Å; E140-S142 VanDerWaalsContact O-N 3.13Å; E140-S142 PolarHBondContact OE1-OG 3.11Å; E140-S142 VanDerWaalsContact OE1-OG 3.06Å |
| 141 | D | 43.7 | Very low | 45.4 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -79.2 | 69.7 | 157.3 | -164.3 | 36.2 | 0 | 0 | 0 | 108.4 | E143 | D141-E143 VanDerWaalsContact C-N 3.3Å; D141-E143 PolarHBondContact O-N 3.19Å |
| 142 | S | 45.2 | Very low | 45 | Very low | 69 Ų | 69 | 142.6 Ų | 142.6 | 48% | 0.483 | 77% | 0.766 | S | S | . | * | | | trans | -70.6 | 84.5 | 179.1 | -79.7 | 0 | 0 | 0 | 0 | 110.4 | E140 E144 | E140-S142 WeakPolarHBondContact CG-OG 3.11Å; E140-S142 PolarHBondContact O-N 2.81Å; E140-S142 VanDerWaalsContact O-N 3.13Å; E140-S142 PolarHBondContact OE1-OG 3.11Å; E140-S142 VanDerWaalsContact OE1-OG 3.06Å; S142-E144 PolarHBondContact O-N 3.37Å |
| 143 | E | 48.8 | Very low | 44.5 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | trans | -68.8 | 63.8 | 173.1 | 54.8 | 160.6 | 84.6 | 0 | 0 | 113.1 | D141 | D141-E143 VanDerWaalsContact C-N 3.3Å; D141-E143 PolarHBondContact O-N 3.19Å |
| 144 | E | 42.4 | Very low | 44.4 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -96 | 96.6 | 175.4 | 66.1 | -179.7 | 139.6 | 0 | 0 | 114.9 | S142 | S142-E144 PolarHBondContact O-N 3.37Š|
| 145 | D | 36.3 | Very low | 43.6 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 66% | 0.658 | 78% | 0.776 | S | S | * | * | | | trans | 55.3 | 110.6 | 150.6 | -147.9 | 67.8 | 0 | 0 | 0 | 121.1 | T147 | D145-T147 VanDerWaalsContact C-N 3.32Å; D145-T147 VanDerWaalsContact CG-OG1 3.25Å; D145-T147 PolarHBondContact O-N 3.2Å; D145-T147 PolarHBondContact OD1-OG1 3.34Å; D145-T147 WeakPolarHBondContact OD2-CA 3.12Å; D145-T147 WeakPolarHBondContact OD2-CB 3.09Å; D145-T147 PolarHBondContact OD2-N 3.4Å; D145-T147 VanDerWaalsContact OD2-N 3.08Å; D145-T147 PolarHBondContact OD2-OG1 2.9Å |
| 146 | L | 46.1 | Very low | 43.4 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 97% | 0.974 | 78% | 0.776 | S | S | * | * | | | trans | -90.2 | 47.3 | 168.9 | -104.6 | 170.7 | 0 | 0 | 0 | 112.4 | | |
| 147 | T | 42.6 | Very low | 43.4 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 61% | 0.613 | 76% | 0.757 | S | S | * | * | | | trans | -137.6 | 150.3 | 177.4 | -5.1 | 0 | 0 | 0 | 0 | 115.9 | D145 | D145-T147 VanDerWaalsContact C-N 3.32Å; D145-T147 VanDerWaalsContact CG-OG1 3.25Å; D145-T147 PolarHBondContact O-N 3.2Å; D145-T147 PolarHBondContact OD1-OG1 3.34Å; D145-T147 WeakPolarHBondContact OD2-CA 3.12Å; D145-T147 WeakPolarHBondContact OD2-CB 3.09Å; D145-T147 PolarHBondContact OD2-N 3.4Å; D145-T147 VanDerWaalsContact OD2-N 3.08Å; D145-T147 PolarHBondContact OD2-OG1 2.9Å |
| 148 | E | 34.6 | Very low | 43.6 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | 57.3 | 92.5 | 160.2 | -153.8 | 159.6 | 167.3 | 0 | 0 | 119.9 | | |
| 149 | A | 36.3 | Very low | 43.6 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | trans | -98.1 | 164.5 | 150 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 150 | P | 44.7 | Very low | 44.2 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | cis | -138.5 | 123.4 | 2.2 | 35 | -14.1 | 0 | 0 | 0 | 115 | | |
| 151 | E | 37 | Very low | 45 | Very low | 194 Ų | 194 | 135.7 Ų | 135.7 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | | | trans | -107.8 | 131.4 | 165.7 | -88.4 | -64.7 | 136.8 | 0 | 0 | 111.8 | | |
| 152 | T | 43.7 | Very low | 45.9 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | trans | -102.7 | 142.3 | -172.9 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 153 | S | 43.1 | Very low | 47 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | | | trans | 100.3 | 153.6 | 161.9 | -45.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 154 | S | 51.3 | Low | 47.9 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | trans | 83.9 | 56.6 | 167.6 | -161.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 155 | T | 37 | Very low | 49 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | | -144.6 | 99 | 128.3 | -72.2 | 0 | 0 | 0 | 0 | 109 | P157 | T155-P157 WeakPolarHBondContact O-CD 3.49Š|
| 156 | Q | 48.3 | Very low | 50.6 | Low | 183 Ų | 183 | 126.4 Ų | 126.4 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | | | trans | -82.3 | 116.8 | 169 | 176.1 | -176.7 | -7.2 | 0 | 0 | 108 | | |
| 157 | P | 46.1 | Very low | 51.6 | Low | 60 Ų | 60 | 122.9 Ų | 122.9 | 39% | 0.39 | 72% | 0.717 | S | S | . | * | | | trans | -66.6 | 143.1 | 176.6 | -18 | 32 | 0 | 0 | 0 | 110.4 | T155 Y159 | T155-P157 WeakPolarHBondContact O-CD 3.49Å; P157-Y159 HydrophobicContact CB-CD2 3.83Å; P157-Y159 HydrophobicContact CB-CE2 3.62Å; P157-Y159 HydrophobicContact CG-CD2 4.27Å; P157-Y159 HydrophobicContact CG-CE2 3.69Å; P157-Y159 WeakPolarHBondContact O-CD2 3.16Å; P157-Y159 PolarHBondContact O-N 3.12Å |
| 158 | P | 51 | Low | 52.6 | Low | 131 Ų | 131 | 125.9 Ų | 125.9 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | | | trans | -73.4 | 70.8 | 179.2 | 29.9 | -35.1 | 0 | 0 | 0 | 112 | S160 | P158-S160 PolarHBondContact O-N 3.34Š|
| 159 | Y | 52.6 | Low | 54.1 | Low | 177 Ų | 177 | 118.7 Ų | 118.7 | 69% | 0.694 | 69% | 0.686 | S | S | * | * | | | trans | -73.6 | 101.5 | 178.2 | -77.9 | -72.7 | 0 | 0 | 0 | 112.3 | P157 I162 | P157-Y159 HydrophobicContact CB-CD2 3.83Å; P157-Y159 HydrophobicContact CB-CE2 3.62Å; P157-Y159 HydrophobicContact CG-CD2 4.27Å; P157-Y159 HydrophobicContact CG-CE2 3.69Å; P157-Y159 WeakPolarHBondContact O-CD2 3.16Å; P157-Y159 PolarHBondContact O-N 3.12Å; Y159-I162 HydrophobicContact CD1-CD1 4.03Å; Y159-I162 HydrophobicContact CE1-CD1 3.83Å |
| 160 | S | 55.6 | Low | 55.6 | Low | 102 Ų | 102 | 120.2 Ų | 120.2 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -151 | -14.1 | 162.6 | 63.1 | 0 | 0 | 0 | 0 | 115.6 | P158 | P158-S160 PolarHBondContact O-N 3.34Š|
| 161 | L | 57.8 | Low | 56.6 | Low | 162 Ų | 162 | 125.3 Ų | 125.3 | 85% | 0.848 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -108.3 | 2.6 | -173.4 | -70.2 | 174.4 | 0 | 0 | 0 | 115.5 | P163 | L161-P163 VanDerWaalsContact O-CD 3.28Å; L161-P163 WeakPolarHBondContact O-CD 3.49Å |
| 162 | I | 64.6 | Low | 58 | Low | 124 Ų | 124 | 118.9 Ų | 118.9 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -79.3 | 111.6 | 164.8 | -64.6 | 172.4 | 0 | 0 | 0 | 106.5 | Y159 | Y159-I162 HydrophobicContact CD1-CD1 4.03Å; Y159-I162 HydrophobicContact CE1-CD1 3.83Å |
| 163 | P | 66.5 | Low | 59.2 | Low | 103 Ų | 103 | 116.5 Ų | 116.5 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 141.7 | 177.9 | 26.8 | -34 | 0 | 0 | 0 | 109.2 | L161 | L161-P163 VanDerWaalsContact O-CD 3.28Å; L161-P163 WeakPolarHBondContact O-CD 3.49Å |
| 164 | P | 67.8 | Low | 60.8 | Low | 114 Ų | 114 | 113.3 Ų | 113.3 | 74% | 0.74 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 129.5 | -179.2 | 22.9 | -33.1 | 0 | 0 | 0 | 109.3 | | |
| 165 | P | 65.9 | Low | 62.2 | Low | 72 Ų | 72 | 112.7 Ų | 112.7 | 47% | 0.468 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 126.1 | -172 | 21.2 | -32.8 | 0 | 0 | 0 | 109 | V167 | P165-V167 PolarHBondContact O-N 2.79Š|
| 166 | P | 70.8 | Confident | 64.1 | Low | 72 Ų | 72 | 110.1 Ų | 110.1 | 47% | 0.468 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -59 | 139.3 | -159.7 | 21.2 | -33.1 | 0 | 0 | 0 | 110.6 | W168 V169 Q170 | P166-W168 PolarHBondContact O-N 2.82Å; P166-V169 HydrophobicContact CG-CG2 4.05Å; P166-V169 WeakPolarHBondContact O-CA 3.48Å; P166-V169 WeakPolarHBondContact O-CB 3.48Å; P166-V169 PolarHBondContact O-N 2.79Å; P166-Q170 PolarHBondContact O-N 2.71Å |
| 167 | V | 65.8 | Low | 65.3 | Low | 112 Ų | 112 | 108.1 Ų | 108.1 | 68% | 0.679 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -57.8 | -21.9 | -158 | -146.7 | 0 | 0 | 0 | 0 | 114.4 | P165 Q170 R171 | P165-V167 PolarHBondContact O-N 2.79Å; V167-Q170 PolarHBondContact O-N 3.42Å; V167-R171 PolarHBondContact O-N 3.25Å |
| 168 | W | 64.3 | Low | 66.6 | Low | 162 Ų | 162 | 108.5 Ų | 108.5 | 61% | 0.614 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.8 | -41.5 | 170.8 | 69 | -98 | 0 | 0 | 0 | 112.6 | P166 N172 M176 | P166-W168 PolarHBondContact O-N 2.82Å; W168-N172 WeakPolarHBondContact O-CB 3.18Å; W168-N172 PolarHBondContact O-N 3Å; W168-N172 PolarHBondContact O-ND2 3.04Å; W168-M176 HydrophobicContact CZ3-SD 4.19Å |
| 169 | V | 65.9 | Low | 67.9 | Low | 37 Ų | 37 | 109.7 Ų | 109.7 | 22% | 0.224 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -62.9 | -44.9 | 171 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | P166 R171 N172 Q173 M176 | P166-V169 HydrophobicContact CG-CG2 4.05Å; P166-V169 WeakPolarHBondContact O-CA 3.48Å; P166-V169 WeakPolarHBondContact O-CB 3.48Å; P166-V169 PolarHBondContact O-N 2.79Å; V169-R171 PolarHBondContact O-N 3.48Å; V169-N172 CarbonylContact O-C 3.6Å; V169-N172 PolarHBondContact O-N 2.93Å; V169-Q173 WeakPolarHBondContact O-CG 3.38Å; V169-Q173 PolarHBondContact O-N 3.48Å; V169-M176 HydrophobicContact CG1-SD 4.44Å |
| 170 | Q | 67.3 | Low | 69 | Low | 121 Ų | 121 | 103.6 Ų | 103.6 | 57% | 0.565 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.1 | -45.7 | -176.7 | -166.9 | 177.1 | 6 | 0 | 0 | 112.4 | P166 V167 N172 | P166-Q170 PolarHBondContact O-N 2.71Å; V167-Q170 PolarHBondContact O-N 3.42Å; Q170-N172 VanDerWaalsContact C-N 3.34Å |
| 171 | R | 65.5 | Low | 70 | Confident | 222 Ų | 222 | 102.4 Ų | 102.4 | 84% | 0.838 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.2 | -36.9 | 174.2 | -175.8 | 174 | 178.5 | 85.6 | -0.3 | 112.1 | V167 V169 | V167-R171 PolarHBondContact O-N 3.25Å; V169-R171 PolarHBondContact O-N 3.48Å |
| 172 | N | 67.4 | Low | 70.7 | Confident | 59 Ų | 59 | 99.3 Ų | 99.3 | 32% | 0.316 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -89.4 | 5.3 | -175.6 | -63.1 | -15 | 0 | 0 | 0 | 113.9 | W168 V169 Q170 G174 L175 M176 | W168-N172 WeakPolarHBondContact O-CB 3.18Å; W168-N172 PolarHBondContact O-N 3Å; W168-N172 PolarHBondContact O-ND2 3.04Å; V169-N172 CarbonylContact O-C 3.6Å; V169-N172 PolarHBondContact O-N 2.93Å; Q170-N172 VanDerWaalsContact C-N 3.34Å; N172-G174 VanDerWaalsContact C-N 3.28Å; N172-G174 PolarHBondContact O-N 3.27Å; N172-L175 CarbonylContact O-C 3.6Å; N172-L175 WeakPolarHBondContact O-CA 3.2Å; N172-L175 WeakPolarHBondContact O-CB 3.17Å; N172-L175 PolarHBondContact O-N 3.05Å; N172-M176 HydrophobicContact CB-CG 4.3Å; N172-M176 WeakPolarHBondContact O-CG 3.33Å; N172-M176 PolarHBondContact O-N 3.18Å |
| 173 | Q | 67.8 | Low | 70.9 | Confident | 67 Ų | 67 | 96.7 Ų | 96.7 | 31% | 0.313 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.6 | -39.7 | -175.8 | -73.5 | -165.7 | 16.8 | 0 | 0 | 113.6 | V169 M176 R177 | V169-Q173 WeakPolarHBondContact O-CG 3.38Å; V169-Q173 PolarHBondContact O-N 3.48Å; Q173-M176 PolarHBondContact O-N 2.85Å; Q173-R177 WeakPolarHBondContact O-CB 3.47Å; Q173-R177 WeakPolarHBondContact O-CG 3.29Å; Q173-R177 PolarHBondContact O-N 2.96Å |
| 174 | G | 78.4 | Confident | 71.2 | Confident | 53 Ų | 53 | 99.6 Ų | 99.6 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | N172 S178 | N172-G174 VanDerWaalsContact C-N 3.28Å; N172-G174 PolarHBondContact O-N 3.27Å; G174-S178 VanDerWaalsContact O-CB 3.23Å; G174-S178 WeakPolarHBondContact O-CB 3.5Å; G174-S178 PolarHBondContact O-N 3.28Å |
| 175 | L | 80 | Confident | 71.2 | Confident | 99 Ų | 99 | 101.5 Ų | 101.5 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 176.5 | -178 | 62.2 | 0 | 0 | 0 | 111.9 | N172 W179 | N172-L175 CarbonylContact O-C 3.6Å; N172-L175 WeakPolarHBondContact O-CA 3.2Å; N172-L175 WeakPolarHBondContact O-CB 3.17Å; N172-L175 PolarHBondContact O-N 3.05Å; L175-W179 WeakPolarHBondContact O-CB 3.1Å; L175-W179 PolarHBondContact O-N 3.5Å |
| 176 | M | 77.4 | Confident | 71.1 | Confident | 80 Ų | 80 | 105.9 Ų | 105.9 | 39% | 0.394 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.2 | -33.7 | 178.6 | -66.6 | -167.6 | 76.8 | 0 | 0 | 112.5 | W168 V169 N172 Q173 A180 | W168-M176 HydrophobicContact CZ3-SD 4.19Å; V169-M176 HydrophobicContact CG1-SD 4.44Å; N172-M176 HydrophobicContact CB-CG 4.3Å; N172-M176 WeakPolarHBondContact O-CG 3.33Å; N172-M176 PolarHBondContact O-N 3.18Å; Q173-M176 PolarHBondContact O-N 2.85Å; M176-A180 WeakPolarHBondContact O-CB 3.23Å; M176-A180 PolarHBondContact O-N 2.84Å |
| 177 | R | 73.4 | Confident | 70.4 | Confident | 141 Ų | 141 | 103 Ų | 103 | 53% | 0.532 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -53.7 | 169.3 | -73.9 | -178.3 | -173.1 | 106.4 | 11.4 | 110.9 | Q173 W179 A180 E181 | Q173-R177 WeakPolarHBondContact O-CB 3.47Å; Q173-R177 WeakPolarHBondContact O-CG 3.29Å; Q173-R177 PolarHBondContact O-N 2.96Å; R177-W179 VanDerWaalsContact C-N 3.25Å; R177-W179 PolarHBondContact O-N 2.84Å; R177-A180 CarbonylContact O-C 3.56Å; R177-A180 PolarHBondContact O-N 2.76Å; R177-A180 VanDerWaalsContact O-N 3.09Å; R177-E181 WeakPolarHBondContact O-CB 3.3Å; R177-E181 PolarHBondContact O-N 3.45Å |
| 178 | S | 72.9 | Confident | 70.2 | Confident | 68 Ų | 68 | 100.4 Ų | 100.4 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.5 | -34.9 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 112.9 | G174 L182 | G174-S178 VanDerWaalsContact O-CB 3.23Å; G174-S178 WeakPolarHBondContact O-CB 3.5Å; G174-S178 PolarHBondContact O-N 3.28Å; S178-L182 WeakPolarHBondContact O-CB 3.35Å; S178-L182 PolarHBondContact O-N 2.83Å |
| 179 | W | 77.4 | Confident | 69.7 | Low | 156 Ų | 156 | 104.1 Ų | 104.1 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -76 | -37.3 | 175.5 | -175.4 | 72.1 | 0 | 0 | 0 | 112.8 | L175 R177 L182 I183 | L175-W179 WeakPolarHBondContact O-CB 3.1Å; L175-W179 PolarHBondContact O-N 3.5Å; R177-W179 VanDerWaalsContact C-N 3.25Å; R177-W179 PolarHBondContact O-N 2.84Å; W179-L182 PolarHBondContact O-N 3.43Å; W179-I183 HydrophobicContact CD2-CD1 3.66Å; W179-I183 HydrophobicContact CE3-CD1 3.69Å; W179-I183 HydrophobicContact CG-CD1 4.4Å; W179-I183 HydrophobicContact CH2-CD1 3.75Å; W179-I183 HydrophobicContact CZ2-CD1 3.71Å; W179-I183 HydrophobicContact CZ3-CD1 3.73Å; W179-I183 WeakPolarHBondContact O-CB 3.32Å; W179-I183 VanDerWaalsContact O-CG1 3.25Å; W179-I183 WeakPolarHBondContact O-CG1 3.22Å; W179-I183 PolarHBondContact O-N 3.47Å |
| 180 | A | 76.5 | Confident | 69.2 | Low | 49 Ų | 49 | 106.1 Ų | 106.1 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M176 R177 R184 | M176-A180 WeakPolarHBondContact O-CB 3.23Å; M176-A180 PolarHBondContact O-N 2.84Å; R177-A180 CarbonylContact O-C 3.56Å; R177-A180 PolarHBondContact O-N 2.76Å; R177-A180 VanDerWaalsContact O-N 3.09Å; A180-R184 WeakPolarHBondContact O-CB 3.47Å; A180-R184 PolarHBondContact O-N 3.5Å |
| 181 | E | 75.9 | Confident | 68.6 | Low | 78 Ų | 78 | 103 Ų | 103 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 168.5 | -82.8 | 142.2 | -163.4 | 0 | 0 | 110.8 | R177 I183 R184 E185 | R177-E181 WeakPolarHBondContact O-CB 3.3Å; R177-E181 PolarHBondContact O-N 3.45Å; E181-I183 VanDerWaalsContact C-N 3.31Å; E181-I183 PolarHBondContact O-N 3.48Å; E181-R184 CarbonylContact O-C 3.6Å; E181-R184 PolarHBondContact O-N 2.85Å; E181-E185 WeakPolarHBondContact O-CB 3.48Å; E181-E185 WeakPolarHBondContact O-CG 3.35Å; E181-E185 PolarHBondContact O-N 3.11Å |
| 182 | L | 72.8 | Confident | 68.3 | Low | 96 Ų | 96 | 95.7 Ų | 95.7 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 175.9 | -175.3 | 65.3 | 0 | 0 | 0 | 112.3 | S178 W179 K186 | S178-L182 WeakPolarHBondContact O-CB 3.35Å; S178-L182 PolarHBondContact O-N 2.83Å; W179-L182 PolarHBondContact O-N 3.43Å; L182-K186 WeakPolarHBondContact O-CA 3.18Å; L182-K186 WeakPolarHBondContact O-CB 3.07Å; L182-K186 PolarHBondContact O-N 2.84Å |
| 183 | I | 69.6 | Low | 67.9 | Low | 70 Ų | 70 | 100.4 Ų | 100.4 | 36% | 0.359 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 170.9 | -72.9 | 163.9 | 0 | 0 | 0 | 110.2 | W179 E181 E185 A187 | W179-I183 HydrophobicContact CD2-CD1 3.66Å; W179-I183 HydrophobicContact CE3-CD1 3.69Å; W179-I183 HydrophobicContact CG-CD1 4.4Å; W179-I183 HydrophobicContact CH2-CD1 3.75Å; W179-I183 HydrophobicContact CZ2-CD1 3.71Å; W179-I183 HydrophobicContact CZ3-CD1 3.73Å; W179-I183 WeakPolarHBondContact O-CB 3.32Å; W179-I183 VanDerWaalsContact O-CG1 3.25Å; W179-I183 WeakPolarHBondContact O-CG1 3.22Å; W179-I183 PolarHBondContact O-N 3.47Å; E181-I183 VanDerWaalsContact C-N 3.31Å; E181-I183 PolarHBondContact O-N 3.48Å; I183-E185 PolarHBondContact O-N 3.36Å; I183-A187 HydrophobicContact CG2-CB 4.36Å; I183-A187 VanDerWaalsContact O-CA 3.25Å; I183-A187 WeakPolarHBondContact O-CA 3.42Å; I183-A187 WeakPolarHBondContact O-CB 3.5Å; I183-A187 PolarHBondContact O-N 2.75Å |
| 184 | R | 71.6 | Confident | 67.7 | Low | 164 Ų | 164 | 102.2 Ų | 102.2 | 62% | 0.619 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | -179.4 | -173.7 | 171.7 | 63 | -134.6 | -1.1 | 112.2 | A180 E181 G188 | A180-R184 WeakPolarHBondContact O-CB 3.47Å; A180-R184 PolarHBondContact O-N 3.5Å; E181-R184 CarbonylContact O-C 3.6Å; E181-R184 PolarHBondContact O-N 2.85Å; R184-G188 WeakPolarHBondContact O-CA 3.39Å; R184-G188 PolarHBondContact O-N 3.18Å |
| 185 | E | 68.1 | Low | 67.2 | Low | 153 Ų | 153 | 101.9 Ų | 101.9 | 72% | 0.715 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -75.4 | -44.6 | 178.7 | -69.9 | 177.7 | -179.6 | 0 | 0 | 112.7 | E181 I183 | E181-E185 WeakPolarHBondContact O-CB 3.48Å; E181-E185 WeakPolarHBondContact O-CG 3.35Å; E181-E185 PolarHBondContact O-N 3.11Å; I183-E185 PolarHBondContact O-N 3.36Å |
| 186 | K | 64.2 | Low | 66.7 | Low | 165 Ų | 165 | 100.9 Ų | 100.9 | 72% | 0.717 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -83.8 | -27.8 | -175.6 | -160.3 | 66 | 169.7 | -176.3 | 0 | 113.2 | L182 | L182-K186 WeakPolarHBondContact O-CA 3.18Å; L182-K186 WeakPolarHBondContact O-CB 3.07Å; L182-K186 PolarHBondContact O-N 2.84Å |
| 187 | A | 57 | Low | 66.8 | Low | 10 Ų | 10 | 101 Ų | 101 | 8% | 0.083 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -110.9 | 7.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I183 Y189 V190 S191 | I183-A187 HydrophobicContact CG2-CB 4.36Å; I183-A187 VanDerWaalsContact O-CA 3.25Å; I183-A187 WeakPolarHBondContact O-CA 3.42Å; I183-A187 WeakPolarHBondContact O-CB 3.5Å; I183-A187 PolarHBondContact O-N 2.75Å; A187-Y189 PolarHBondContact O-N 3.47Å; A187-V190 HydrophobicContact CB-CB 4.46Å; A187-V190 PolarHBondContact O-N 3.43Å; A187-S191 WeakPolarHBondContact O-CB 3.4Å; A187-S191 PolarHBondContact O-N 3.28Å |
| 188 | G | 61.7 | Low | 67.3 | Low | 59 Ų | 59 | 95.8 Ų | 95.8 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -20.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R184 | R184-G188 WeakPolarHBondContact O-CA 3.39Å; R184-G188 PolarHBondContact O-N 3.18Å |
| 189 | Y | 53.9 | Low | 67.8 | Low | 239 Ų | 239 | 98.5 Ų | 98.5 | 94% | 0.937 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | 7.4 | 170.4 | -97.9 | -89.6 | 0 | 0 | 0 | 114.6 | A187 | A187-Y189 PolarHBondContact O-N 3.47Š|
| 190 | V | 54.6 | Low | 68.4 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 49% | 0.485 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | -17.4 | -173.3 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | A187 G192 M193 L194 | A187-V190 HydrophobicContact CB-CB 4.46Å; A187-V190 PolarHBondContact O-N 3.43Å; V190-G192 VanDerWaalsContact C-N 3.25Å; V190-G192 PolarHBondContact O-N 3.48Å; V190-M193 PolarHBondContact O-N 2.79Å; V190-L194 PolarHBondContact O-N 2.92Å; V190-L194 VanDerWaalsContact O-N 3.09Å |
| 191 | S | 54.3 | Low | 69.1 | Low | 55 Ų | 55 | 95.5 Ų | 95.5 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58 | -36.1 | -176.7 | -171.7 | 0 | 0 | 0 | 0 | 112.6 | A187 M193 L194 A195 | A187-S191 WeakPolarHBondContact O-CB 3.4Å; A187-S191 PolarHBondContact O-N 3.28Å; S191-M193 PolarHBondContact O-N 2.98Å; S191-M193 VanDerWaalsContact O-N 3.14Å; S191-L194 PolarHBondContact O-N 2.91Å; S191-A195 WeakPolarHBondContact O-CB 3.27Å; S191-A195 PolarHBondContact O-N 2.94Å |
| 192 | G | 59.1 | Low | 69.9 | Low | 69 Ų | 69 | 96.3 Ų | 96.3 | 71% | 0.711 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.7 | -28.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V190 P196 | V190-G192 VanDerWaalsContact C-N 3.25Å; V190-G192 PolarHBondContact O-N 3.48Å; G192-P196 WeakPolarHBondContact O-CD 3.3Å; G192-P196 WeakPolarHBondContact O-CG 3.23Å |
| 193 | M | 59.7 | Low | 71 | Confident | 158 Ų | 158 | 93.1 Ų | 93.1 | 78% | 0.778 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -102 | -31.5 | 171.7 | -66.2 | -172.4 | 76.1 | 0 | 0 | 112.9 | V190 S191 V197 | V190-M193 PolarHBondContact O-N 2.79Å; S191-M193 PolarHBondContact O-N 2.98Å; S191-M193 VanDerWaalsContact O-N 3.14Å; M193-V197 VanDerWaalsContact O-CG2 3.29Å; M193-V197 WeakPolarHBondContact O-CG2 3.3Å; M193-V197 PolarHBondContact O-N 2.75Å |
| 194 | L | 63.3 | Low | 72.2 | Confident | 105 Ų | 105 | 92.4 Ų | 92.4 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.7 | -35.7 | -176.5 | -172.2 | 60.4 | 0 | 0 | 0 | 113.1 | V190 S191 G198 | V190-L194 PolarHBondContact O-N 2.92Å; V190-L194 VanDerWaalsContact O-N 3.09Å; S191-L194 PolarHBondContact O-N 2.91Å; L194-G198 PolarHBondContact O-N 3.46Å |
| 195 | A | 67.5 | Low | 73.4 | Confident | 45 Ų | 45 | 90.4 Ų | 90.4 | 37% | 0.372 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -49 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S191 V197 G198 I199 | S191-A195 WeakPolarHBondContact O-CB 3.27Å; S191-A195 PolarHBondContact O-N 2.94Å; A195-V197 VanDerWaalsContact C-N 3.34Å; A195-V197 PolarHBondContact O-N 3.27Å; A195-G198 PolarHBondContact O-N 2.94Å; A195-I199 WeakPolarHBondContact O-CB 3.48Å; A195-I199 WeakPolarHBondContact O-CD1 3.36Å; A195-I199 VanDerWaalsContact O-CG1 3.25Å; A195-I199 WeakPolarHBondContact O-CG1 3.33Å; A195-I199 PolarHBondContact O-N 2.75Å |
| 196 | P | 69.5 | Low | 74.6 | Confident | 78 Ų | 78 | 89 Ų | 89 | 51% | 0.506 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 173.9 | -26.2 | 35.3 | 0 | 0 | 0 | 113.3 | G192 I199 G200 | G192-P196 WeakPolarHBondContact O-CD 3.3Å; G192-P196 WeakPolarHBondContact O-CG 3.23Å; P196-I199 PolarHBondContact O-N 2.8Å; P196-G200 PolarHBondContact O-N 2.84Å |
| 197 | V | 79.8 | Confident | 76.1 | Confident | 82 Ų | 82 | 86 Ų | 86 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | -180 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | M193 A195 G200 I201 | M193-V197 VanDerWaalsContact O-CG2 3.29Å; M193-V197 WeakPolarHBondContact O-CG2 3.3Å; M193-V197 PolarHBondContact O-N 2.75Å; A195-V197 VanDerWaalsContact C-N 3.34Å; A195-V197 PolarHBondContact O-N 3.27Å; V197-G200 PolarHBondContact O-N 3.14Å; V197-I201 HydrophobicContact CG1-CD1 3.84Å; V197-I201 HydrophobicContact CG1-CG1 4.49Å; V197-I201 WeakPolarHBondContact O-CG1 3.36Å; V197-I201 PolarHBondContact O-N 3.02Å |
| 198 | G | 84.1 | Confident | 78 | Confident | 32 Ų | 32 | 90 Ų | 90 | 33% | 0.33 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L194 A195 T202 | L194-G198 PolarHBondContact O-N 3.46Å; A195-G198 PolarHBondContact O-N 2.94Å; G198-T202 WeakPolarHBondContact O-CB 3.41Å; G198-T202 PolarHBondContact O-N 3.45Å; G198-T202 VanDerWaalsContact O-N 3.14Å; G198-T202 PolarHBondContact O-OG1 2.88Å |
| 199 | I | 83.1 | Confident | 79.6 | Confident | 126 Ų | 126 | 89 Ų | 89 | 65% | 0.646 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.1 | -46.5 | 173.3 | -67.1 | 165.1 | 0 | 0 | 0 | 110.1 | A195 P196 I201 T202 G203 | A195-I199 WeakPolarHBondContact O-CB 3.48Å; A195-I199 WeakPolarHBondContact O-CD1 3.36Å; A195-I199 VanDerWaalsContact O-CG1 3.25Å; A195-I199 WeakPolarHBondContact O-CG1 3.33Å; A195-I199 PolarHBondContact O-N 2.75Å; P196-I199 PolarHBondContact O-N 2.8Å; I199-I201 PolarHBondContact O-N 3.18Å; I199-T202 PolarHBondContact O-N 2.89Å; I199-G203 PolarHBondContact O-N 3.45Å |
| 200 | G | 90.9 | Very high | 81.5 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P196 V197 G203 A204 | P196-G200 PolarHBondContact O-N 2.84Å; V197-G200 PolarHBondContact O-N 3.14Å; G200-G203 PolarHBondContact O-N 2.84Å; G200-A204 VanDerWaalsContact O-CB 3.3Å; G200-A204 WeakPolarHBondContact O-CB 3.45Å; G200-A204 PolarHBondContact O-N 2.86Å |
| 201 | I | 90.8 | Very high | 83.3 | Confident | 100 Ų | 100 | 81 Ų | 81 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.3 | -67.3 | 165.6 | 0 | 0 | 0 | 110.7 | V197 I199 A204 L205 | V197-I201 HydrophobicContact CG1-CD1 3.84Å; V197-I201 HydrophobicContact CG1-CG1 4.49Å; V197-I201 WeakPolarHBondContact O-CG1 3.36Å; V197-I201 PolarHBondContact O-N 3.02Å; I199-I201 PolarHBondContact O-N 3.18Å; I201-A204 PolarHBondContact O-N 2.8Å; I201-L205 HydrophobicContact CG2-CD1 4.08Å; I201-L205 WeakPolarHBondContact O-CG 3.46Å; I201-L205 PolarHBondContact O-N 3.45Å |
| 202 | T | 93.2 | Very high | 85.2 | Confident | 95 Ų | 95 | 85.9 Ų | 85.9 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | -179.6 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | G198 I199 L205 L206 | G198-T202 WeakPolarHBondContact O-CB 3.41Å; G198-T202 PolarHBondContact O-N 3.45Å; G198-T202 VanDerWaalsContact O-N 3.14Å; G198-T202 PolarHBondContact O-OG1 2.88Å; I199-T202 PolarHBondContact O-N 2.89Å; T202-L205 PolarHBondContact O-N 3.4Å; T202-L206 WeakPolarHBondContact O-CB 3.44Å; T202-L206 PolarHBondContact O-N 2.8Å |
| 203 | G | 94.9 | Very high | 86.6 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I199 G200 L205 L206 I207 | I199-G203 PolarHBondContact O-N 3.45Å; G200-G203 PolarHBondContact O-N 2.84Å; G203-L205 PolarHBondContact O-N 3.23Å; G203-L206 PolarHBondContact O-N 3.05Å; G203-I207 WeakPolarHBondContact O-CB 3.33Å; G203-I207 VanDerWaalsContact O-CG1 3.27Å; G203-I207 WeakPolarHBondContact O-CG1 3.25Å; G203-I207 PolarHBondContact O-N 3.32Å |
| 204 | A | 95.6 | Very high | 88 | Confident | 55 Ų | 55 | 83.3 Ų | 83.3 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | G200 I201 I207 V208 | G200-A204 VanDerWaalsContact O-CB 3.3Å; G200-A204 WeakPolarHBondContact O-CB 3.45Å; G200-A204 PolarHBondContact O-N 2.86Å; I201-A204 PolarHBondContact O-N 2.8Å; A204-I207 PolarHBondContact O-N 2.78Å; A204-V208 WeakPolarHBondContact O-CB 3.46Å; A204-V208 VanDerWaalsContact O-CG2 3.3Å; A204-V208 WeakPolarHBondContact O-CG2 3.22Å; A204-V208 PolarHBondContact O-N 3.09Å |
| 205 | L | 95.6 | Very high | 89.1 | Confident | 121 Ų | 121 | 87.7 Ų | 87.7 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.5 | -36.2 | 175.3 | -70.7 | 173 | 0 | 0 | 0 | 112.5 | I201 T202 G203 G209 | I201-L205 HydrophobicContact CG2-CD1 4.08Å; I201-L205 WeakPolarHBondContact O-CG 3.46Å; I201-L205 PolarHBondContact O-N 3.45Å; T202-L205 PolarHBondContact O-N 3.4Å; G203-L205 PolarHBondContact O-N 3.23Å; L205-G209 WeakPolarHBondContact O-CA 2.98Å; L205-G209 PolarHBondContact O-N 3.4Å |
| 206 | L | 94.3 | Very high | 89.7 | Confident | 124 Ų | 124 | 89.9 Ų | 89.9 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.9 | -42.6 | 174.9 | -176.3 | 143.2 | 0 | 0 | 0 | 111.8 | T202 G203 G209 A210 | T202-L206 WeakPolarHBondContact O-CB 3.44Å; T202-L206 PolarHBondContact O-N 2.8Å; G203-L206 PolarHBondContact O-N 3.05Å; L206-G209 PolarHBondContact O-N 3.36Å; L206-A210 VanDerWaalsContact O-CB 3.23Å; L206-A210 WeakPolarHBondContact O-CB 3.25Å; L206-A210 PolarHBondContact O-N 2.9Å |
| 207 | I | 95 | Very high | 90 | Very high | 101 Ų | 101 | 91.1 Ų | 91.1 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -48.2 | 177.3 | -68.6 | 162.6 | 0 | 0 | 0 | 110.7 | G203 A204 G209 A210 L211 | G203-I207 WeakPolarHBondContact O-CB 3.33Å; G203-I207 VanDerWaalsContact O-CG1 3.27Å; G203-I207 WeakPolarHBondContact O-CG1 3.25Å; G203-I207 PolarHBondContact O-N 3.32Å; A204-I207 PolarHBondContact O-N 2.78Å; I207-G209 VanDerWaalsContact C-N 3.34Å; I207-G209 PolarHBondContact O-N 2.78Å; I207-A210 PolarHBondContact O-N 3.35Å; I207-L211 HydrophobicContact CG2-CD1 3.84Å; I207-L211 WeakPolarHBondContact O-CB 3.07Å; I207-L211 WeakPolarHBondContact O-CG 3.34Å; I207-L211 PolarHBondContact O-N 2.94Å |
| 208 | V | 96.2 | Very high | 89.5 | Confident | 95 Ų | 95 | 92.5 Ų | 92.5 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -40.7 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | A204 Y212 | A204-V208 WeakPolarHBondContact O-CB 3.46Å; A204-V208 VanDerWaalsContact O-CG2 3.3Å; A204-V208 WeakPolarHBondContact O-CG2 3.22Å; A204-V208 PolarHBondContact O-N 3.09Å; V208-Y212 WeakPolarHBondContact O-CB 3.48Å; V208-Y212 PolarHBondContact O-N 2.81Å |
| 209 | G | 95.3 | Very high | 88.9 | Confident | 39 Ų | 39 | 100.4 Ų | 100.4 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L205 L206 I207 Y212 S213 | L205-G209 WeakPolarHBondContact O-CA 2.98Å; L205-G209 PolarHBondContact O-N 3.4Å; L206-G209 PolarHBondContact O-N 3.36Å; I207-G209 VanDerWaalsContact C-N 3.34Å; I207-G209 PolarHBondContact O-N 2.78Å; G209-Y212 PolarHBondContact O-N 2.84Å; G209-S213 VanDerWaalsContact O-CB 3.29Å; G209-S213 WeakPolarHBondContact O-CB 3.16Å; G209-S213 PolarHBondContact O-N 3.45Å; G209-S213 PolarHBondContact O-OG 3.42Å |
| 210 | A | 95.1 | Very high | 87.9 | Confident | 40 Ų | 40 | 100.8 Ų | 100.8 | 33% | 0.331 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -53.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | L206 I207 Y212 S213 I214 | L206-A210 VanDerWaalsContact O-CB 3.23Å; L206-A210 WeakPolarHBondContact O-CB 3.25Å; L206-A210 PolarHBondContact O-N 2.9Å; I207-A210 PolarHBondContact O-N 3.35Å; A210-Y212 VanDerWaalsContact C-N 3.32Å; A210-Y212 PolarHBondContact O-N 2.95Å; A210-S213 PolarHBondContact O-N 3.38Å; A210-S213 VanDerWaalsContact O-N 3.11Å; A210-S213 PolarHBondContact O-OG 2.86Å; A210-I214 WeakPolarHBondContact O-CB 3.25Å; A210-I214 VanDerWaalsContact O-CG1 3.3Å; A210-I214 WeakPolarHBondContact O-CG1 3.47Å; A210-I214 PolarHBondContact O-N 3.48Å |
| 211 | L | 92.9 | Very high | 86.6 | Confident | 110 Ų | 110 | 104.6 Ų | 104.6 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.3 | -43.6 | 176.4 | -74.7 | 167.3 | 0 | 0 | 0 | 112.2 | I207 I214 R215 | I207-L211 HydrophobicContact CG2-CD1 3.84Å; I207-L211 WeakPolarHBondContact O-CB 3.07Å; I207-L211 WeakPolarHBondContact O-CG 3.34Å; I207-L211 PolarHBondContact O-N 2.94Å; L211-I214 PolarHBondContact O-N 2.99Å; L211-R215 WeakPolarHBondContact O-CB 3.28Å; L211-R215 PolarHBondContact O-N 2.92Å |
| 212 | Y | 93 | Very high | 85 | Confident | 157 Ų | 157 | 109 Ų | 109 | 62% | 0.616 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | 175.9 | -173.1 | -92 | 0 | 0 | 0 | 111.6 | V208 G209 A210 I214 R215 M216 | V208-Y212 WeakPolarHBondContact O-CB 3.48Å; V208-Y212 PolarHBondContact O-N 2.81Å; G209-Y212 PolarHBondContact O-N 2.84Å; A210-Y212 VanDerWaalsContact C-N 3.32Å; A210-Y212 PolarHBondContact O-N 2.95Å; Y212-I214 PolarHBondContact O-N 3.5Å; Y212-R215 PolarHBondContact O-N 3.33Å; Y212-M216 HydrophobicContact CD1-CB 4.49Å; Y212-M216 HydrophobicContact CE1-CB 4.3Å; Y212-M216 WeakPolarHBondContact O-CB 3.29Å; Y212-M216 PolarHBondContact O-N 2.81Å |
| 213 | S | 89.2 | Confident | 83.3 | Confident | 67 Ų | 67 | 110.4 Ų | 110.4 | 47% | 0.469 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | G209 A210 L217 | G209-S213 VanDerWaalsContact O-CB 3.29Å; G209-S213 WeakPolarHBondContact O-CB 3.16Å; G209-S213 PolarHBondContact O-N 3.45Å; G209-S213 PolarHBondContact O-OG 3.42Å; A210-S213 PolarHBondContact O-N 3.38Å; A210-S213 VanDerWaalsContact O-N 3.11Å; A210-S213 PolarHBondContact O-OG 2.86Å; S213-L217 WeakPolarHBondContact O-CB 3.37Å; S213-L217 PolarHBondContact O-N 3.21Å |
| 214 | I | 88 | Confident | 81.4 | Confident | 107 Ų | 107 | 110.6 Ų | 110.6 | 55% | 0.549 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.1 | -46.2 | 177.2 | -66.9 | 164.2 | 0 | 0 | 0 | 109.9 | A210 L211 Y212 L217 H218 | A210-I214 WeakPolarHBondContact O-CB 3.25Å; A210-I214 VanDerWaalsContact O-CG1 3.3Å; A210-I214 WeakPolarHBondContact O-CG1 3.47Å; A210-I214 PolarHBondContact O-N 3.48Å; L211-I214 PolarHBondContact O-N 2.99Å; Y212-I214 PolarHBondContact O-N 3.5Å; I214-L217 CarbonylContact O-C 3.55Å; I214-L217 PolarHBondContact O-N 2.73Å; I214-H218 WeakPolarHBondContact O-CB 3.38Å; I214-H218 PolarHBondContact O-N 3.2Å |
| 215 | R | 86.2 | Confident | 79.5 | Confident | 196 Ų | 196 | 113.1 Ų | 113.1 | 74% | 0.74 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 177.2 | -176 | 176.1 | 178.5 | 88.1 | -5.5 | 112.1 | L211 Y212 H218 R219 | L211-R215 WeakPolarHBondContact O-CB 3.28Å; L211-R215 PolarHBondContact O-N 2.92Å; Y212-R215 PolarHBondContact O-N 3.33Å; R215-H218 PolarHBondContact O-N 3.17Å; R215-R219 WeakPolarHBondContact O-CB 3.43Å; R215-R219 PolarHBondContact O-N 2.93Å |
| 216 | M | 81.4 | Confident | 77.5 | Confident | 92 Ų | 92 | 116.1 Ų | 116.1 | 45% | 0.453 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.2 | -39.7 | 176.4 | -174.7 | 54.5 | 165.4 | 0 | 0 | 111.1 | Y212 R219 K220 | Y212-M216 HydrophobicContact CD1-CB 4.49Å; Y212-M216 HydrophobicContact CE1-CB 4.3Å; Y212-M216 WeakPolarHBondContact O-CB 3.29Å; Y212-M216 PolarHBondContact O-N 2.81Å; M216-R219 PolarHBondContact O-N 3.45Å; M216-K220 WeakPolarHBondContact O-CB 3.47Å; M216-K220 PolarHBondContact O-N 3.47Å |
| 217 | L | 74.8 | Confident | 75.5 | Confident | 104 Ų | 104 | 116.3 Ų | 116.3 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -40.3 | 170.5 | -178.5 | 58.7 | 0 | 0 | 0 | 111.1 | S213 I214 R219 K220 R221 | S213-L217 WeakPolarHBondContact O-CB 3.37Å; S213-L217 PolarHBondContact O-N 3.21Å; I214-L217 CarbonylContact O-C 3.55Å; I214-L217 PolarHBondContact O-N 2.73Å; L217-R219 PolarHBondContact O-N 3.21Å; L217-K220 CarbonylContact O-C 3.44Å; L217-K220 PolarHBondContact O-N 2.96Å; L217-R221 WeakPolarHBondContact O-CA 3.37Å; L217-R221 WeakPolarHBondContact O-CB 3.41Å; L217-R221 PolarHBondContact O-N 3.14Å |
| 218 | H | 70.1 | Confident | 73.8 | Confident | 110 Ų | 110 | 116.7 Ų | 116.7 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.2 | -32.1 | 179.5 | -152.7 | -140.4 | 0 | 0 | 0 | 112.6 | I214 R215 | I214-H218 WeakPolarHBondContact O-CB 3.38Å; I214-H218 PolarHBondContact O-N 3.2Å; R215-H218 PolarHBondContact O-N 3.17Å |
| 219 | R | 71.4 | Confident | 71.7 | Confident | 199 Ų | 199 | 122.8 Ų | 122.8 | 75% | 0.751 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.2 | -44.2 | 168.3 | -167.3 | 177.9 | -174 | -177.2 | 3 | 111.7 | R215 M216 L217 | R215-R219 WeakPolarHBondContact O-CB 3.43Å; R215-R219 PolarHBondContact O-N 2.93Å; M216-R219 PolarHBondContact O-N 3.45Å; L217-R219 PolarHBondContact O-N 3.21Å |
| 220 | K | 62.7 | Low | 69.9 | Low | 134 Ų | 134 | 131.3 Ų | 131.3 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.2 | -39 | -178.3 | -175 | 175.9 | 179 | 179.2 | 0 | 113 | M216 L217 R222 N223 S224 | M216-K220 WeakPolarHBondContact O-CB 3.47Å; M216-K220 PolarHBondContact O-N 3.47Å; L217-K220 CarbonylContact O-C 3.44Å; L217-K220 PolarHBondContact O-N 2.96Å; K220-R222 PolarHBondContact O-N 2.78Å; K220-N223 PolarHBondContact O-N 3.19Å; K220-N223 VanDerWaalsContact O-N 3.11Å; K220-S224 VanDerWaalsContact O-CB 3.28Å; K220-S224 WeakPolarHBondContact O-CB 3.41Å; K220-S224 PolarHBondContact O-N 3.09Å |
| 221 | R | 62 | Low | 68.1 | Low | 121 Ų | 121 | 137.5 Ų | 137.5 | 46% | 0.457 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.1 | -40.5 | -176.8 | -167.4 | -174.3 | -171.7 | -152.7 | 4.4 | 111.5 | L217 N223 S224 F225 | L217-R221 WeakPolarHBondContact O-CA 3.37Å; L217-R221 WeakPolarHBondContact O-CB 3.41Å; L217-R221 PolarHBondContact O-N 3.14Å; R221-N223 PolarHBondContact O-N 3.22Å; R221-S224 PolarHBondContact O-N 2.89Å; R221-F225 HydrophobicContact CG-CD2 3.99Å; R221-F225 HydrophobicContact CG-CE1 4.23Å; R221-F225 HydrophobicContact CG-CE2 3.66Å; R221-F225 HydrophobicContact CG-CG 4.43Å; R221-F225 HydrophobicContact CG-CZ 3.8Å; R221-F225 VanDerWaalsContact CZ-CZ 3.49Å; R221-F225 VanDerWaalsContact NE-CZ 3.26Å; R221-F225 WeakPolarHBondContact O-CD2 3.13Å; R221-F225 WeakPolarHBondContact O-CG 3.14Å; R221-F225 PolarHBondContact O-N 3.2Å |
| 222 | R | 57.7 | Low | 66 | Low | 194 Ų | 194 | 136.5 Ų | 136.5 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.7 | -22.1 | 173.9 | -77.5 | -168.4 | -84.7 | 173.6 | -10.2 | 114 | K220 | K220-R222 PolarHBondContact O-N 2.78Å |
| 223 | N | 57.3 | Low | 64 | Low | 123 Ų | 123 | 139.8 Ų | 139.8 | 66% | 0.658 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -92.1 | -46.2 | 169.5 | -175.4 | -32.5 | 0 | 0 | 0 | 111.4 | K220 R221 F225 | K220-N223 PolarHBondContact O-N 3.19Å; K220-N223 VanDerWaalsContact O-N 3.11Å; R221-N223 PolarHBondContact O-N 3.22Å; N223-F225 PolarHBondContact O-N 3.22Å |
| 224 | S | 56.4 | Low | 61.6 | Low | 33 Ų | 33 | 144.2 Ų | 144.2 | 23% | 0.231 | 64% | 0.635 | C | S | . | * | H | α-helix | trans | -66.2 | -30 | -172.2 | -172.5 | 0 | 0 | 0 | 0 | 115.6 | K220 R221 K226 H227 Q228 | K220-S224 VanDerWaalsContact O-CB 3.28Å; K220-S224 WeakPolarHBondContact O-CB 3.41Å; K220-S224 PolarHBondContact O-N 3.09Å; R221-S224 PolarHBondContact O-N 2.89Å; S224-K226 VanDerWaalsContact C-N 3.27Å; S224-K226 PolarHBondContact O-N 3.44Å; S224-H227 PolarHBondContact O-N 3.23Å; S224-Q228 PolarHBondContact O-N 3.43Å |
| 225 | F | 55.3 | Low | 59.6 | Low | 108 Ų | 108 | 144.6 Ų | 144.6 | 47% | 0.474 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -49 | -41.8 | -170.6 | -94.1 | -56.9 | 0 | 0 | 0 | 114.7 | R221 N223 H227 | R221-F225 HydrophobicContact CG-CD2 3.99Å; R221-F225 HydrophobicContact CG-CE1 4.23Å; R221-F225 HydrophobicContact CG-CE2 3.66Å; R221-F225 HydrophobicContact CG-CG 4.43Å; R221-F225 HydrophobicContact CG-CZ 3.8Å; R221-F225 VanDerWaalsContact CZ-CZ 3.49Å; R221-F225 VanDerWaalsContact NE-CZ 3.26Å; R221-F225 WeakPolarHBondContact O-CD2 3.13Å; R221-F225 WeakPolarHBondContact O-CG 3.14Å; R221-F225 PolarHBondContact O-N 3.2Å; N223-F225 PolarHBondContact O-N 3.22Å; F225-H227 VanDerWaalsContact C-N 3.3Å; F225-H227 PolarHBondContact O-N 2.79Å |
| 226 | K | 54.3 | Low | 57.8 | Low | 184 Ų | 184 | 144.1 Ų | 144.1 | 80% | 0.8 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.2 | -26 | -178.8 | -66.7 | -174.4 | 178.7 | -179.2 | 0 | 113.3 | S224 | S224-K226 VanDerWaalsContact C-N 3.27Å; S224-K226 PolarHBondContact O-N 3.44Å |
| 227 | H | 52.4 | Low | 55.9 | Low | 129 Ų | 129 | 148.1 Ų | 148.1 | 60% | 0.597 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -91.8 | -38.9 | 179.4 | -61.3 | 106.3 | 0 | 0 | 0 | 112.1 | S224 F225 R229 R230 | S224-H227 PolarHBondContact O-N 3.23Å; F225-H227 VanDerWaalsContact C-N 3.3Å; F225-H227 PolarHBondContact O-N 2.79Å; H227-R229 VanDerWaalsContact C-N 3.34Å; H227-R229 PolarHBondContact O-N 3.48Å; H227-R230 PolarHBondContact O-N 3.25Å; H227-R230 VanDerWaalsContact O-N 3.09Å |
| 228 | Q | 58.1 | Low | 54.8 | Low | 109 Ų | 109 | 147.8 Ų | 147.8 | 51% | 0.509 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -63.1 | -34.9 | -176.7 | -169.5 | 169.1 | -8.5 | 0 | 0 | 113.2 | S224 R230 K231 A232 | S224-Q228 PolarHBondContact O-N 3.43Å; Q228-R230 PolarHBondContact O-N 2.84Å; Q228-R230 VanDerWaalsContact O-N 3.14Å; Q228-K231 PolarHBondContact O-N 3.08Å; Q228-A232 PolarHBondContact O-N 3.01Å; Q228-A232 VanDerWaalsContact O-N 3.12Å |
| 229 | R | 53.4 | Low | 53.9 | Low | 222 Ų | 222 | 153.1 Ų | 153.1 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -20 | 175.7 | -166 | 175.7 | -173.7 | -114.8 | 4.2 | 113.6 | H227 | H227-R229 VanDerWaalsContact C-N 3.34Å; H227-R229 PolarHBondContact O-N 3.48Å |
| 230 | R | 57.1 | Low | 52.2 | Low | 219 Ų | 219 | 152 Ų | 152 | 83% | 0.826 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -8.2 | 174.2 | -64.8 | -171.8 | 178.1 | -165.3 | -0.6 | 113.9 | H227 Q228 | H227-R230 PolarHBondContact O-N 3.25Å; H227-R230 VanDerWaalsContact O-N 3.09Å; Q228-R230 PolarHBondContact O-N 2.84Å; Q228-R230 VanDerWaalsContact O-N 3.14Å |
| 231 | K | 56.6 | Low | 51.7 | Low | 169 Ų | 169 | 151.3 Ų | 151.3 | 74% | 0.735 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -30.3 | -179.8 | -69 | -67.3 | -173.6 | 175.1 | 0 | 113.4 | Q228 R233 Q234 | Q228-K231 PolarHBondContact O-N 3.08Å; K231-R233 PolarHBondContact O-N 3.32Å; K231-Q234 PolarHBondContact O-N 3.21Å |
| 232 | A | 49.7 | Very low | 51.1 | Low | 90 Ų | 90 | 148.3 Ų | 148.3 | 74% | 0.744 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 16.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q228 | Q228-A232 PolarHBondContact O-N 3.01Å; Q228-A232 VanDerWaalsContact O-N 3.12Å |
| 233 | R | 49.6 | Very low | 51.1 | Low | 226 Ų | 226 | 145 Ų | 145 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 9.2 | 177.3 | -106.1 | -168.7 | 178.5 | -159.2 | -1.3 | 113.6 | K231 | K231-R233 PolarHBondContact O-N 3.32Š|
| 234 | Q | 39.2 | Very low | 51 | Low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | | | trans | -128.9 | 80.6 | -179.4 | -85.5 | -73.5 | -1 | 0 | 0 | 110.2 | K231 E236 | K231-Q234 PolarHBondContact O-N 3.21Å; Q234-E236 PolarHBondContact O-N 3.08Å |
| 235 | P | 46.9 | Very low | 50.7 | Low | 114 Ų | 114 | 146.7 Ų | 146.7 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | | | trans | -75.9 | 109.2 | 165.2 | 31.4 | -30.5 | 0 | 0 | 0 | 109.9 | | |
| 236 | E | 47.3 | Very low | 50.8 | Low | 186 Ų | 186 | 149.3 Ų | 149.3 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | | | trans | 16.2 | 103.2 | 150.5 | -170.3 | 174.4 | -178.4 | 0 | 0 | 118.9 | Q234 | Q234-E236 PolarHBondContact O-N 3.08Š|
| 237 | Q | 42.9 | Very low | 50.6 | Low | 177 Ų | 177 | 144.3 Ų | 144.3 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | | | trans | -162.4 | 156.4 | 143.3 | -94.5 | -83.6 | -18.6 | 0 | 0 | 105.8 | | |
| 238 | P | 51.8 | Low | 50.9 | Low | 96 Ų | 96 | 144.2 Ų | 144.2 | 62% | 0.623 | 72% | 0.724 | S | S | * | * | | | | -109.8 | 165.1 | -110.2 | 0.4 | 22.9 | 0 | 0 | 0 | 114.8 | | |
| 239 | R | 49.3 | Very low | 50.8 | Low | 222 Ų | 222 | 143 Ų | 143 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | | | trans | 31.6 | 109.3 | 159.8 | -72.8 | -176.7 | 168.7 | 82.6 | -0.7 | 117.4 | | |
| 240 | E | 37.5 | Very low | 50.6 | Low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | | | | -153.4 | 145.4 | 114.7 | -86.1 | -40.9 | 135.2 | 0 | 0 | 109.8 | | |
| 241 | P | 52 | Low | 50.5 | Low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | | | trans | -105.5 | 111.4 | -179.5 | 35.7 | -25.5 | 0 | 0 | 0 | 113.2 | | |
| 242 | G | 48.6 | Very low | 50.4 | Low | 57 Ų | 57 | 134.7 Ų | 134.7 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 141.1 | 146.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | S244 | G242-S244 VanDerWaalsContact C-N 3.28Å; G242-S244 PolarHBondContact O-N 2.86Å |
| 243 | T | 56.9 | Low | 50.8 | Low | 125 Ų | 125 | 134.7 Ų | 134.7 | 77% | 0.767 | 72% | 0.724 | S | S | * | * | | | trans | 44.3 | -17.8 | 145.4 | 59.5 | 0 | 0 | 0 | 0 | 123.9 | C245 | T243-C245 PolarHBondContact O-N 3.32Š|
| 244 | S | 56.6 | Low | 51.2 | Low | 73 Ų | 73 | 131.4 Ų | 131.4 | 51% | 0.51 | 72% | 0.723 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | 5.8 | -162.2 | -173.9 | 0 | 0 | 0 | 0 | 119 | G242 Q248 | G242-S244 VanDerWaalsContact C-N 3.28Å; G242-S244 PolarHBondContact O-N 2.86Å; S244-Q248 PolarHBondContact OG-NE2 3.06Å |
| 245 | C | 49.1 | Very low | 51.9 | Low | 119 Ų | 119 | 129.4 Ų | 129.4 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -23.8 | -174.2 | -159.2 | 0 | 0 | 0 | 0 | 114.8 | T243 | T243-C245 PolarHBondContact O-N 3.32Š|
| 246 | Q | 58.2 | Low | 52.7 | Low | 162 Ų | 162 | 128.9 Ų | 128.9 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -36.6 | -180 | -69.7 | -173.1 | -86.1 | 0 | 0 | 112.8 | Q248 A249 | Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q246-Q248 PolarHBondContact O-N 3.13Å; Q246-A249 PolarHBondContact O-N 3.05Å |
| 247 | D | 50.6 | Low | 53.4 | Low | 79 Ų | 79 | 129.7 Ų | 129.7 | 42% | 0.422 | 73% | 0.73 | S | S | . | * | G | 310 helix | trans | -67.5 | -32.8 | -174.3 | -53 | -33.9 | 0 | 0 | 0 | 112.7 | A249 M250 L251 | D247-A249 PolarHBondContact O-N 2.89Å; D247-M250 PolarHBondContact O-N 2.62Å; D247-L251 WeakPolarHBondContact O-CG 3.4Å; D247-L251 PolarHBondContact O-N 3.24Å |
| 248 | Q | 58.3 | Low | 54.3 | Low | 128 Ų | 128 | 128.7 Ų | 128.7 | 60% | 0.598 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -66.3 | -17.3 | 177.8 | -64.6 | -171.4 | 14.3 | 0 | 0 | 113.9 | S244 Q246 | S244-Q248 PolarHBondContact OG-NE2 3.06Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q246-Q248 PolarHBondContact O-N 3.13Å |
| 249 | A | 56.2 | Low | 54.9 | Low | 82 Ų | 82 | 132.6 Ų | 132.6 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -83.1 | -19 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q246 D247 | Q246-A249 PolarHBondContact O-N 3.05Å; D247-A249 PolarHBondContact O-N 2.89Å |
| 250 | M | 47.5 | Very low | 54.7 | Low | 141 Ų | 141 | 134.9 Ų | 134.9 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -30.3 | -177.2 | -132.8 | -177.7 | -52.6 | 0 | 0 | 112.5 | D247 L252 | D247-M250 PolarHBondContact O-N 2.62Å; M250-L252 VanDerWaalsContact C-N 3.28Å; M250-L252 PolarHBondContact O-N 2.88Å |
| 251 | L | 56 | Low | 55.5 | Low | 142 Ų | 142 | 132.8 Ų | 132.8 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 8 | -174.7 | -63.8 | 171.9 | 0 | 0 | 0 | 115.1 | D247 | D247-L251 WeakPolarHBondContact O-CG 3.4Å; D247-L251 PolarHBondContact O-N 3.24Å |
| 252 | L | 54.9 | Low | 55.7 | Low | 154 Ų | 154 | 133.5 Ų | 133.5 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 4.2 | -179.2 | -67.7 | 174.8 | 0 | 0 | 0 | 113.8 | M250 | M250-L252 VanDerWaalsContact C-N 3.28Å; M250-L252 PolarHBondContact O-N 2.88Å |
| 253 | A | 57.6 | Low | 56.1 | Low | 89 Ų | 89 | 137.8 Ų | 137.8 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -102.3 | -9.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 254 | D | 57.1 | Low | 56.1 | Low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -143.5 | 64.5 | -168.5 | -163.3 | 19.3 | 0 | 0 | 0 | 111.4 | | |
| 255 | S | 55.4 | Low | 56 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -154.7 | 49.3 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 256 | S | 62.9 | Low | 56.5 | Low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | -139.2 | 142 | 169.2 | 56.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 257 | E | 62.1 | Low | 56.4 | Low | 204 Ų | 204 | 142.9 Ų | 142.9 | 95% | 0.953 | 78% | 0.776 | S | S | * | * | | | trans | 77.2 | 102.9 | -169.4 | -153.1 | 165.5 | 102.5 | 0 | 0 | 110.9 | | |
| 258 | D | 61.2 | Low | 56.8 | Low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | | -165 | 133.5 | 60.9 | 177.5 | 37.2 | 0 | 0 | 0 | 111.3 | | |
| 259 | E | 64.6 | Low | 56.7 | Low | 178 Ų | 178 | 149.5 Ų | 149.5 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | -154.3 | 99.4 | 170.5 | -165.1 | 177.6 | 170.2 | 0 | 0 | 112.5 | | |
| 260 | F | 44.9 | Very low | 56.7 | Low | 270 Ų | 270 | 155.6 Ų | 155.6 | 100% | 1.184 | 83% | 0.833 | S | S | * | * | | | trans | 56.8 | 0 | 159.1 | -78.4 | -84.8 | 0 | 0 | 0 | 121.2 | | |