| 1 | M | 40.1 | Very low | 46.9 | Very low | 240 Ų | 240 | 147.8 Ų | 147.8 | 100% | 1.182 | 83% | 0.826 | S | S | * | * | | | | 0 | 119.3 | 0 | -66.1 | 172.3 | 75.4 | 0 | 0 | 108.1 | | |
| 2 | S | 44.3 | Very low | 47.7 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | trans | -93.5 | 109.4 | -173.4 | -49.5 | 0 | 0 | 0 | 0 | 110.2 | G4 | S2-G4 PolarHBondContact O-N 3.12Š|
| 3 | K | 50.2 | Low | 48.8 | Very low | 208 Ų | 208 | 137.8 Ų | 137.8 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | | | trans | -82.1 | 101.9 | 169.6 | -76.3 | -170.8 | 173.7 | -175 | 0 | 108.8 | | |
| 4 | G | 42.8 | Very low | 49.1 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | | | trans | -65.3 | 135.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S2 | S2-G4 PolarHBondContact O-N 3.12Š|
| 5 | I | 48.4 | Very low | 50.2 | Low | 164 Ų | 164 | 133.5 Ų | 133.5 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | | | trans | -84.4 | 119.3 | 168.7 | -61.4 | 172.7 | 0 | 0 | 0 | 106.5 | Q7 | I5-Q7 PolarHBondContact O-N 3.42Š|
| 6 | L | 47.1 | Very low | 50 | Low | 162 Ų | 162 | 133.9 Ų | 133.9 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | | | trans | -66.9 | 100.5 | 172.5 | -93.2 | 157.1 | 0 | 0 | 0 | 108.9 | V8 | L6-V8 VanDerWaalsContact C-N 3.28Å; L6-V8 PolarHBondContact O-N 2.6Å |
| 7 | Q | 48.8 | Very low | 50.4 | Low | 155 Ų | 155 | 130.6 Ų | 130.6 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | trans | -76.5 | 81.5 | 176.1 | -175.1 | 177.7 | -38.4 | 0 | 0 | 109.3 | I5 H9 | I5-Q7 PolarHBondContact O-N 3.42Å; Q7-H9 PolarHBondContact NE2-NE2 3.05Å; Q7-H9 PolarHBondContact O-N 3.29Å |
| 8 | V | 46.6 | Very low | 51.1 | Low | 131 Ų | 131 | 125.6 Ų | 125.6 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | | | trans | -67.5 | 112.6 | 173.7 | -165.1 | 0 | 0 | 0 | 0 | 108.2 | L6 | L6-V8 VanDerWaalsContact C-N 3.28Å; L6-V8 PolarHBondContact O-N 2.6Å |
| 9 | H | 45.3 | Very low | 51.2 | Low | 128 Ų | 128 | 131.1 Ų | 131.1 | 59% | 0.593 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 137.9 | 170.8 | -87.2 | -112.2 | 0 | 0 | 0 | 109.5 | Q7 | Q7-H9 PolarHBondContact NE2-NE2 3.05Å; Q7-H9 PolarHBondContact O-N 3.29Å |
| 10 | P | 50.9 | Low | 51.2 | Low | 101 Ų | 101 | 132.7 Ų | 132.7 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 145.7 | 168.8 | 29.1 | -34.1 | 0 | 0 | 0 | 109.5 | I12 | P10-I12 PolarHBondContact O-N 3.02Š|
| 11 | P | 51.2 | Low | 51.1 | Low | 131 Ų | 131 | 128.5 Ų | 128.5 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 119.1 | 179.9 | 26.5 | -33.6 | 0 | 0 | 0 | 110.2 | | |
| 12 | I | 56.8 | Low | 51.2 | Low | 118 Ų | 118 | 119.5 Ų | 119.5 | 61% | 0.605 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 118.3 | 173 | -54.5 | 177.7 | 0 | 0 | 0 | 107 | P10 | P10-I12 PolarHBondContact O-N 3.02Š|
| 13 | C | 61.6 | Low | 51.4 | Low | 48 Ų | 48 | 118.4 Ų | 118.4 | 32% | 0.324 | 68% | 0.676 | S | S | . | * | | | trans | -88.4 | 110.4 | 170.2 | 145.8 | 0 | 0 | 0 | 0 | 108.4 | C15 C18 S21 | C13-C15 WeakPolarHBondContact CB-SG 3.03Å; C13-C15 PolarHBondContact O-N 2.98Å; C13-C15 WeakPolarHBondContact SG-CB 3.31Å; C13-C15 CovalentContact SG-SG 2.04Å; C13-C15 PolarHBondContact SG-SG 3.14Å; C13-C18 WeakPolarHBondContact SG-CB 3.43Å; C13-S21 PolarHBondContact O-OG 2.72Å |
| 14 | D | 53.3 | Low | 51.2 | Low | 144 Ų | 144 | 114.4 Ų | 114.4 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | | | trans | -84.3 | 33.3 | 173 | -65.5 | -42 | 0 | 0 | 0 | 111.3 | | |
| 15 | C | 64.8 | Low | 51.1 | Low | 67 Ų | 67 | 116.6 Ų | 116.6 | 45% | 0.453 | 66% | 0.662 | S | S | . | * | | | trans | -84.8 | 129.1 | -176.6 | -25.4 | 0 | 0 | 0 | 0 | 109.7 | C13 G17 C18 | C13-C15 WeakPolarHBondContact CB-SG 3.03Å; C13-C15 PolarHBondContact O-N 2.98Å; C13-C15 WeakPolarHBondContact SG-CB 3.31Å; C13-C15 CovalentContact SG-SG 2.04Å; C13-C15 PolarHBondContact SG-SG 3.14Å; C15-G17 PolarHBondContact O-N 3.26Å; C15-C18 WeakPolarHBondContact O-CB 3.49Å; C15-C18 PolarHBondContact O-N 3.08Å |
| 16 | P | 47.8 | Very low | 51 | Low | 140 Ų | 140 | 119.3 Ų | 119.3 | 91% | 0.909 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 113.5 | -176.8 | 24.8 | -33.4 | 0 | 0 | 0 | 110.9 | | |
| 17 | G | 56.1 | Low | 50.9 | Low | 78 Ų | 78 | 114.2 Ų | 114.2 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114.3 | -13.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | C15 R19 | C15-G17 PolarHBondContact O-N 3.26Å; G17-R19 PolarHBondContact O-N 3.2Å |
| 18 | C | 63.1 | Low | 50.7 | Low | 39 Ų | 39 | 117.9 Ų | 117.9 | 26% | 0.264 | 66% | 0.656 | S | S | . | * | | | trans | -70.3 | 112 | 179.6 | -169 | 0 | 0 | 0 | 0 | 112.1 | C13 C15 I20 S21 | C13-C18 WeakPolarHBondContact SG-CB 3.43Å; C15-C18 WeakPolarHBondContact O-CB 3.49Å; C15-C18 PolarHBondContact O-N 3.08Å; C18-I20 PolarHBondContact O-N 3.44Å; C18-S21 PolarHBondContact O-OG 3.46Å |
| 19 | R | 53.5 | Low | 50.6 | Low | 231 Ų | 231 | 119.5 Ų | 119.5 | 87% | 0.872 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -69.6 | -14.8 | -177.4 | -82.5 | -173.9 | 168.3 | -178.4 | -1.9 | 115 | G17 S21 | G17-R19 PolarHBondContact O-N 3.2Å; R19-S21 VanDerWaalsContact C-N 3.33Å |
| 20 | I | 50.9 | Low | 50.6 | Low | 162 Ų | 162 | 117 Ų | 117 | 83% | 0.831 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -71.9 | -29.4 | -177.8 | -53.4 | 178.9 | 0 | 0 | 0 | 111.3 | C18 | C18-I20 PolarHBondContact O-N 3.44Š|
| 21 | S | 49.8 | Very low | 50.2 | Low | 45 Ų | 45 | 119.2 Ų | 119.2 | 32% | 0.315 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -100.5 | 16.5 | -177.3 | 36.5 | 0 | 0 | 0 | 0 | 114.2 | C13 C18 R19 | C13-S21 PolarHBondContact O-OG 2.72Å; C18-S21 PolarHBondContact O-OG 3.46Å; R19-S21 VanDerWaalsContact C-N 3.33Å |
| 22 | S | 41.4 | Very low | 50.1 | Low | 51 Ų | 51 | 122.6 Ų | 122.6 | 36% | 0.357 | 67% | 0.668 | S | S | . | * | | | trans | -59.5 | 128.6 | 178.4 | 179.8 | 0 | 0 | 0 | 0 | 112.7 | V24 N25 | S22-V24 PolarHBondContact O-N 3.24Å; S22-N25 PolarHBondContact O-N 3.07Å |
| 23 | P | 49.1 | Very low | 49.7 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -56 | -26.1 | -175.8 | -28.8 | 35.4 | 0 | 0 | 0 | 115.5 | N25 R26 | P23-N25 PolarHBondContact O-N 2.74Å; P23-N25 VanDerWaalsContact O-N 3.14Å; P23-R26 VanDerWaalsContact O-CB 3.31Å; P23-R26 WeakPolarHBondContact O-CB 3.16Å; P23-R26 PolarHBondContact O-N 2.85Å |
| 24 | V | 45.3 | Very low | 48.6 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 76% | 0.758 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -58.5 | -29.4 | -174.2 | -173.5 | 0 | 0 | 0 | 0 | 112.7 | S22 | S22-V24 PolarHBondContact O-N 3.24Š|
| 25 | N | 40.7 | Very low | 47.6 | Very low | 121 Ų | 121 | 132 Ų | 132 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -85.8 | -13.1 | 178.3 | -76 | -49.4 | 0 | 0 | 0 | 114.3 | S22 P23 G27 R28 | S22-N25 PolarHBondContact O-N 3.07Å; P23-N25 PolarHBondContact O-N 2.74Å; P23-N25 VanDerWaalsContact O-N 3.14Å; N25-G27 PolarHBondContact O-N 3.17Å; N25-R28 PolarHBondContact O-N 3Å |
| 26 | R | 48 | Very low | 46 | Very low | 221 Ų | 221 | 132.5 Ų | 132.5 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -66.5 | -26.3 | -176.5 | -154.8 | 169.8 | -171.3 | 145.4 | 0.6 | 112.5 | P23 | P23-R26 VanDerWaalsContact O-CB 3.31Å; P23-R26 WeakPolarHBondContact O-CB 3.16Å; P23-R26 PolarHBondContact O-N 2.85Å |
| 27 | G | 43.2 | Very low | 45.4 | Very low | 56 Ų | 56 | 133.2 Ų | 133.2 | 58% | 0.577 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -74.5 | -22.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | N25 | N25-G27 PolarHBondContact O-N 3.17Š|
| 28 | R | 46.3 | Very low | 44.3 | Very low | 232 Ų | 232 | 135.6 Ų | 135.6 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -96 | -4.8 | -172.5 | -99.1 | -173.2 | -179 | -84.3 | 0.5 | 116.3 | N25 | N25-R28 PolarHBondContact O-N 3Š|
| 29 | L | 44.6 | Very low | 42.8 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -105.8 | -14.2 | 179.1 | -161.2 | 63.1 | 0 | 0 | 0 | 114 | | |
| 30 | A | 43.5 | Very low | 41.8 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -75.1 | -32.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | K32 | A30-K32 PolarHBondContact O-N 3.39Š|
| 31 | D | 43.9 | Very low | 41 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 28.5 | -159.8 | -128 | 3.3 | 0 | 0 | 0 | 115.4 | | |
| 32 | K | 47.8 | Very low | 40.2 | Very low | 202 Ų | 202 | 141.8 Ų | 141.8 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.8 | 36.5 | 173.6 | -74.8 | -160 | 173.2 | -172.7 | 0 | 113.9 | A30 | A30-K32 PolarHBondContact O-N 3.39Š|
| 33 | R | 49.8 | Very low | 39.7 | Very low | 236 Ų | 236 | 147.6 Ų | 147.6 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -139.1 | 7.2 | 171.1 | -111.2 | 174 | -163 | 172.8 | 6.1 | 118.3 | | |
| 34 | T | 36.9 | Very low | 38.9 | Very low | 126 Ų | 126 | 152 Ų | 152 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -138.9 | 76.1 | 177.5 | -39.8 | 0 | 0 | 0 | 0 | 113.1 | A36 | T34-A36 HydrophobicContact CG2-CB 4.22Å; T34-A36 PolarHBondContact O-N 3.24Å; T34-A36 VanDerWaalsContact O-N 3.08Å |
| 35 | V | 33.1 | Very low | 38.2 | Very low | 146 Ų | 146 | 155.4 Ų | 155.4 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | | | trans | -79.9 | 80.3 | 158.9 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 36 | A | 31.8 | Very low | 37.7 | Very low | 78 Ų | 78 | 157.9 Ų | 157.9 | 65% | 0.645 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 134 | 164 | 0 | 0 | 0 | 0 | 0 | 108.7 | T34 | T34-A36 HydrophobicContact CG2-CB 4.22Å; T34-A36 PolarHBondContact O-N 3.24Å; T34-A36 VanDerWaalsContact O-N 3.08Å |
| 37 | L | 35 | Very low | 36.9 | Very low | 155 Ų | 155 | 158.7 Ų | 158.7 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 145.3 | 175.6 | -67.3 | 171 | 0 | 0 | 0 | 110.3 | | |
| 38 | P | 33.7 | Very low | 36.3 | Very low | 128 Ų | 128 | 162.7 Ų | 162.7 | 83% | 0.831 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 144.7 | -172.6 | 29.6 | -35.9 | 0 | 0 | 0 | 112.6 | | |
| 39 | A | 31.6 | Very low | 35.9 | Very low | 103 Ų | 103 | 156.8 Ų | 156.8 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | | | trans | -129.8 | 85.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 40 | A | 32.6 | Very low | 35.3 | Very low | 95 Ų | 95 | 154.5 Ų | 154.5 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | | | trans | -169 | 144.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 41 | R | 33.3 | Very low | 34.7 | Very low | 243 Ų | 243 | 160.7 Ų | 160.7 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | | | cis | -138.1 | 163.3 | 29.5 | -69.7 | 171.2 | 164 | 171 | -7 | 112.3 | | |
| 42 | N | 31.8 | Very low | 34.1 | Very low | 165 Ų | 165 | 158.9 Ų | 158.9 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | | | trans | -68.6 | 137.5 | 178.8 | -66.8 | -72.4 | 0 | 0 | 0 | 113.3 | | |
| 43 | L | 31.8 | Very low | 33.4 | Very low | 173 Ų | 173 | 154 Ų | 154 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | | | trans | -140.3 | 84.4 | 159.1 | -116.1 | 170.3 | 0 | 0 | 0 | 111.5 | K45 | L43-K45 PolarHBondContact O-N 3.32Š|
| 44 | K | 31.8 | Very low | 32.5 | Very low | 200 Ų | 200 | 147.1 Ų | 147.1 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | | | trans | -10 | 108.9 | 163.3 | -179.5 | -178.5 | 178.3 | 177 | 0 | 117 | | |
| 45 | K | 31.9 | Very low | 32.6 | Very low | 196 Ų | 196 | 148.4 Ų | 148.4 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | | | trans | -155.7 | 131.8 | 135.9 | -139.4 | 167.2 | -176.3 | 177.9 | 0 | 114.4 | L43 | L43-K45 PolarHBondContact O-N 3.32Š|
| 46 | E | 29.1 | Very low | 32.7 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | | | trans | 4.9 | 138.2 | 159.6 | -56.1 | -67 | 69.5 | 0 | 0 | 121.6 | | |
| 47 | R | 30.8 | Very low | 32.9 | Very low | 238 Ų | 238 | 148.8 Ų | 148.8 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | | | trans | -80.8 | 146.2 | 154.3 | -70.9 | 171.3 | 159.5 | -170.7 | -4.7 | 110.3 | | |
| 48 | T | 31.6 | Very low | 33.2 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | | | | -159.1 | 153 | 122.1 | 16.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 49 | P | 37.1 | Very low | 33.4 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | | | trans | -94.8 | 169 | -176.7 | 38.6 | -34.9 | 0 | 0 | 0 | 113.1 | | |
| 50 | S | 32.5 | Very low | 33.7 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | -65.7 | 129.9 | 178.6 | -42.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 51 | F | 30.1 | Very low | 33.9 | Very low | 206 Ų | 206 | 147.5 Ų | 147.5 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | | | trans | -138.8 | 168.7 | 152.1 | -90 | -74.2 | 0 | 0 | 0 | 109.6 | | |
| 52 | S | 31.3 | Very low | 34 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | trans | -100.7 | 178.5 | -157.8 | 51.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 53 | A | 33 | Very low | 35.1 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | 81.2 | 149.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 54 | S | 31.8 | Very low | 35.4 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | | | cis | -157.6 | 158.7 | -1.7 | -142.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 55 | D | 38 | Very low | 35.6 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | 57 | 156.6 | 152.2 | -52.4 | -51.9 | 0 | 0 | 0 | 122.4 | | |
| 56 | G | 36.7 | Very low | 35.6 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | 87 | 101.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 57 | D | 35.2 | Very low | 35.7 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | cis | 96.2 | 153.9 | 39.9 | -165.2 | 29.6 | 0 | 0 | 0 | 113.8 | | |
| 58 | S | 40.6 | Very low | 36.1 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | | | trans | 72.6 | 96.9 | -179.6 | -64.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 59 | D | 39.5 | Very low | 36.8 | Very low | 170 Ų | 170 | 130 Ų | 130 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | | 50.1 | 143.9 | 121.3 | -67.2 | -8.7 | 0 | 0 | 0 | 123.9 | | |
| 60 | G | 36.1 | Very low | 36.4 | Very low | 68 Ų | 68 | 127.8 Ų | 127.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | 142.8 | 89.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 61 | S | 37.4 | Very low | 36.7 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | 33.4 | 121.9 | 139.4 | -52 | 0 | 0 | 0 | 0 | 121.4 | | |
| 62 | G | 35.8 | Very low | 36.8 | Very low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | trans | -84.2 | -153.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 63 | P | 55.6 | Low | 36.9 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | cis | -129.5 | 157.2 | -28.5 | 38.7 | -25.5 | 0 | 0 | 0 | 112.2 | | |
| 64 | T | 37.6 | Very low | 37 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | | | trans | -141.1 | 146.7 | 167.5 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 65 | C | 35.1 | Very low | 37.2 | Very low | 135 Ų | 135 | 137 Ų | 137 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | | | trans | -102.7 | 147.7 | 178 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 66 | G | 33.1 | Very low | 37.1 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -157.4 | 57.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 67 | R | 30.8 | Very low | 37.3 | Very low | 237 Ų | 237 | 134.6 Ų | 134.6 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | trans | 57.7 | 97.1 | 146.8 | -152.8 | 169.8 | -153.6 | -97.9 | 3.1 | 120.1 | | |
| 68 | R | 40 | Very low | 37.4 | Very low | 239 Ų | 239 | 135.5 Ų | 135.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -60.2 | 156.6 | 146.7 | -76 | -174.2 | 177.8 | -154.8 | 0.4 | 110.2 | | |
| 69 | P | 46.3 | Very low | 37.2 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | | -140.6 | -180 | 54.1 | 36.4 | -15.1 | 0 | 0 | 0 | 115.1 | | |
| 70 | G | 29.1 | Very low | 37.1 | Very low | 61 Ų | 61 | 140.3 Ų | 140.3 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | | | cis | 160.8 | -163.9 | -4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 71 | L | 37.3 | Very low | 37.3 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | | | trans | 68.1 | 149.3 | 179.1 | -49.1 | 178.6 | 0 | 0 | 0 | 115.7 | | |
| 72 | K | 32.4 | Very low | 37.2 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 68% | 0.683 | 80% | 0.796 | S | S | * | * | | | cis | -153.2 | 143.4 | -34.3 | -172.6 | 177.4 | 164.7 | -91.5 | 0 | 105.7 | E74 | K72-E74 WeakPolarHBondContact CD-OE1 3.49Å; K72-E74 WeakPolarHBondContact CE-OE1 3.3Å; K72-E74 WeakPolarHBondContact CG-OE1 3.41Å; K72-E74 IonicContact NZ-OE1 3.29Å; K72-E74 PolarHBondContact NZ-OE1 3.18Å; K72-E74 IonicContact NZ-OE2 3.81Å; K72-E74 PolarHBondContact NZ-OE2 2.04Å |
| 73 | Q | 34.3 | Very low | 37.4 | Very low | 185 Ų | 185 | 152.6 Ų | 152.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -95.6 | 125.9 | -179.6 | -172.1 | 165.9 | 1.9 | 0 | 0 | 109.6 | | |
| 74 | E | 34 | Very low | 36.4 | Very low | 131 Ų | 131 | 158 Ų | 158 | 61% | 0.612 | 81% | 0.808 | S | S | * | * | | | trans | -116.8 | 141.1 | 176 | -41.9 | -62.9 | 123.8 | 0 | 0 | 109.1 | K72 | K72-E74 WeakPolarHBondContact CD-OE1 3.49Å; K72-E74 WeakPolarHBondContact CE-OE1 3.3Å; K72-E74 WeakPolarHBondContact CG-OE1 3.41Å; K72-E74 IonicContact NZ-OE1 3.29Å; K72-E74 PolarHBondContact NZ-OE1 3.18Å; K72-E74 IonicContact NZ-OE2 3.81Å; K72-E74 PolarHBondContact NZ-OE2 2.04Å |
| 75 | D | 37.3 | Very low | 36.3 | Very low | 168 Ų | 168 | 161.1 Ų | 161.1 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -80.3 | 147.4 | -173.7 | -86.7 | -63.6 | 0 | 0 | 0 | 114.9 | | |
| 76 | G | 35 | Very low | 36.3 | Very low | 52 Ų | 52 | 160.5 Ų | 160.5 | 54% | 0.536 | 79% | 0.794 | S | S | . | * | | | trans | -115.4 | 133.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | H78 | G76-H78 PolarHBondContact O-N 2.83Š|
| 77 | P | 41.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 164.4 Ų | 164.4 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | trans | -72.1 | 130.1 | -166.5 | 27 | -34.8 | 0 | 0 | 0 | 114.4 | I79 | P77-I79 PolarHBondContact O-N 3.37Š|
| 78 | H | 37.2 | Very low | 36.9 | Very low | 179 Ų | 179 | 157.7 Ų | 157.7 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | -75.4 | 97.9 | 175.6 | -90.1 | 53.1 | 0 | 0 | 0 | 112.6 | G76 R80 | G76-H78 PolarHBondContact O-N 2.83Å; H78-R80 PolarHBondContact O-N 3.41Å |
| 79 | I | 36.6 | Very low | 36.7 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | trans | -79.2 | 99.8 | 172.4 | -57.7 | 179.6 | 0 | 0 | 0 | 110.4 | P77 I81 | P77-I79 PolarHBondContact O-N 3.37Å; I79-I81 HydrophobicContact CG2-CG1 4.36Å; I79-I81 PolarHBondContact O-N 3.3Å; I79-I81 VanDerWaalsContact O-N 3.16Å |
| 80 | R | 36.5 | Very low | 36.1 | Very low | 217 Ų | 217 | 157.5 Ų | 157.5 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | | | trans | -78.5 | 92.3 | 176.6 | -70.3 | 177.2 | 64.9 | -168 | 0.2 | 111.7 | H78 M82 | H78-R80 PolarHBondContact O-N 3.41Å; R80-M82 PolarHBondContact O-N 3.28Å |
| 81 | I | 41.4 | Very low | 36.3 | Very low | 150 Ų | 150 | 161.1 Ų | 161.1 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -68.2 | 102.4 | 175.6 | -57.1 | 176.5 | 0 | 0 | 0 | 110.6 | I79 K83 | I79-I81 HydrophobicContact CG2-CG1 4.36Å; I79-I81 PolarHBondContact O-N 3.3Å; I79-I81 VanDerWaalsContact O-N 3.16Å; I81-K83 PolarHBondContact O-N 2.91Å |
| 82 | M | 34.7 | Very low | 36.4 | Very low | 169 Ų | 169 | 157.6 Ų | 157.6 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | | | trans | -79.5 | 103.5 | 173.8 | -68 | -174.5 | 70.6 | 0 | 0 | 111.1 | R80 R84 | R80-M82 PolarHBondContact O-N 3.28Å; M82-R84 PolarHBondContact O-N 3.34Å |
| 83 | K | 39.6 | Very low | 36.3 | Very low | 201 Ų | 201 | 157.7 Ų | 157.7 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | | | trans | -64 | 97.4 | 171.7 | -91.1 | -176.7 | 171.8 | 176.7 | 0 | 111.2 | I81 R85 | I81-K83 PolarHBondContact O-N 2.91Å; K83-R85 PolarHBondContact O-N 3.37Å |
| 84 | R | 35.6 | Very low | 36.2 | Very low | 240 Ų | 240 | 154.6 Ų | 154.6 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | | | trans | -69.8 | 121.4 | 166.2 | -131 | -177 | -67.4 | 176.3 | -0.6 | 108.6 | M82 | M82-R84 PolarHBondContact O-N 3.34Š|
| 85 | R | 35.9 | Very low | 36.1 | Very low | 217 Ų | 217 | 153.6 Ų | 153.6 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | | | trans | -96.8 | 92 | -176 | -168.2 | -166.1 | -51 | -153.1 | 7 | 109.8 | K83 H87 | K83-R85 PolarHBondContact O-N 3.37Å; R85-H87 PolarHBondContact O-N 3.47Å |
| 86 | V | 34.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | | | trans | -70.2 | 118.8 | 172.5 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | T88 | V86-T88 HydrophobicContact CG1-CG2 4.38Š|
| 87 | H | 34.2 | Very low | 35.8 | Very low | 160 Ų | 160 | 163.5 Ų | 163.5 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | -85.2 | 129 | 159.7 | -92.7 | 64.5 | 0 | 0 | 0 | 108 | R85 | R85-H87 PolarHBondContact O-N 3.47Š|
| 88 | T | 41.3 | Very low | 35.6 | Very low | 95 Ų | 95 | 166.4 Ų | 166.4 | 58% | 0.583 | 78% | 0.777 | S | S | * | * | | | trans | -111.6 | 126.3 | 157.2 | 38.7 | 0 | 0 | 0 | 0 | 106.9 | V86 W90 | V86-T88 HydrophobicContact CG1-CG2 4.38Å; T88-W90 PolarHBondContact OG1-NE1 3.14Å |
| 89 | H | 35.5 | Very low | 35.3 | Very low | 153 Ų | 153 | 162.1 Ų | 162.1 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | trans | -79.1 | 135.8 | 172.4 | -153.2 | -111.2 | 0 | 0 | 0 | 107.8 | D91 | H89-D91 IonicContact CE1-OD1 3.59Å; H89-D91 PolarHBondContact CE1-OD1 2.73Å; H89-D91 IonicContact CE1-OD2 3Å; H89-D91 PolarHBondContact CE1-OD2 3.2Å; H89-D91 IonicContact CG-OD2 2.73Å; H89-D91 VanDerWaalsContact ND1-CG 3.29Å; H89-D91 IonicContact ND1-OD1 2.81Å; H89-D91 PolarHBondContact ND1-OD1 3.19Å; H89-D91 IonicContact ND1-OD2 2.82Å; H89-D91 PolarHBondContact ND1-OD2 3.23Å |
| 90 | W | 34.8 | Very low | 35.1 | Very low | 207 Ų | 207 | 160.4 Ų | 160.4 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | | | trans | -124.7 | 88.7 | 176 | -69.4 | 93.9 | 0 | 0 | 0 | 108.1 | T88 V92 | T88-W90 PolarHBondContact OG1-NE1 3.14Å; W90-V92 HydrophobicContact CB-CG2 4.32Å; W90-V92 PolarHBondContact O-N 3.08Å |
| 91 | D | 33.1 | Very low | 34.8 | Very low | 138 Ų | 138 | 156.3 Ų | 156.3 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | -72.4 | 93.2 | 172.8 | -71.9 | -66.5 | 0 | 0 | 0 | 109.8 | H89 | H89-D91 IonicContact CE1-OD1 3.59Å; H89-D91 PolarHBondContact CE1-OD1 2.73Å; H89-D91 IonicContact CE1-OD2 3Å; H89-D91 PolarHBondContact CE1-OD2 3.2Å; H89-D91 IonicContact CG-OD2 2.73Å; H89-D91 VanDerWaalsContact ND1-CG 3.29Å; H89-D91 IonicContact ND1-OD1 2.81Å; H89-D91 PolarHBondContact ND1-OD1 3.19Å; H89-D91 IonicContact ND1-OD2 2.82Å; H89-D91 PolarHBondContact ND1-OD2 3.23Å |
| 92 | V | 39.1 | Very low | 34.5 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 61% | 0.606 | 78% | 0.776 | S | S | * | * | | | trans | -102.1 | 90 | 179.6 | 177 | 0 | 0 | 0 | 0 | 108.8 | W90 I94 | W90-V92 HydrophobicContact CB-CG2 4.32Å; W90-V92 PolarHBondContact O-N 3.08Å; V92-I94 HydrophobicContact CG1-CD1 3.54Å; V92-I94 HydrophobicContact CG1-CG1 3.74Å; V92-I94 PolarHBondContact O-N 3.21Å; V92-I94 VanDerWaalsContact O-N 3.08Å |
| 93 | N | 29.3 | Very low | 35 | Very low | 159 Ų | 159 | 155.1 Ų | 155.1 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -80.2 | 83.3 | 179 | -171.6 | 13.9 | 0 | 0 | 0 | 111.2 | | |
| 94 | I | 33.8 | Very low | 34.8 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | | | trans | -93.6 | 109.1 | 173.2 | -67.7 | 163.4 | 0 | 0 | 0 | 109.4 | V92 F96 | V92-I94 HydrophobicContact CG1-CD1 3.54Å; V92-I94 HydrophobicContact CG1-CG1 3.74Å; V92-I94 PolarHBondContact O-N 3.21Å; V92-I94 VanDerWaalsContact O-N 3.08Å; I94-F96 HydrophobicContact CG2-CD2 3.96Å; I94-F96 HydrophobicContact CG2-CE2 4.07Å; I94-F96 PolarHBondContact O-N 3.13Å |
| 95 | S | 31.3 | Very low | 35.5 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -81 | 109.5 | 165.4 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | R97 | S95-R97 PolarHBondContact O-N 2.71Š|
| 96 | F | 30.2 | Very low | 35.4 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | -67.3 | 129 | 168.5 | -92.4 | -106.8 | 0 | 0 | 0 | 110.1 | I94 | I94-F96 HydrophobicContact CG2-CD2 3.96Å; I94-F96 HydrophobicContact CG2-CE2 4.07Å; I94-F96 PolarHBondContact O-N 3.13Å |
| 97 | R | 35.8 | Very low | 35.9 | Very low | 243 Ų | 243 | 142.6 Ų | 142.6 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | | | trans | -109.6 | 128.6 | 149.4 | -90.3 | -170.9 | 167.3 | -137 | -1.9 | 107.9 | S95 A99 | S95-R97 PolarHBondContact O-N 2.71Å; R97-A99 PolarHBondContact O-N 2.85Å |
| 98 | E | 36.1 | Very low | 36.4 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | -70.2 | 124.1 | -178.8 | -65.1 | 171.3 | 116.8 | 0 | 0 | 110.5 | | |
| 99 | A | 32.1 | Very low | 36.6 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | | | trans | -114.2 | 86.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | R97 C101 | R97-A99 PolarHBondContact O-N 2.85Å; A99-C101 PolarHBondContact O-N 3.31Å; A99-C101 VanDerWaalsContact O-N 3.1Å |
| 100 | S | 32.5 | Very low | 37.1 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -67.2 | 107 | -179 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | S102 | S100-S102 PolarHBondContact O-N 3.35Š|
| 101 | C | 29.5 | Very low | 37.7 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | | | trans | -67.9 | 90.8 | 172.6 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | A99 Q103 | A99-C101 PolarHBondContact O-N 3.31Å; A99-C101 VanDerWaalsContact O-N 3.1Å; C101-Q103 PolarHBondContact O-N 3.17Å |
| 102 | S | 34.6 | Very low | 38.1 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -73.9 | 119.8 | 167.2 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | S100 D104 | S100-S102 PolarHBondContact O-N 3.35Å; S102-D104 PolarHBondContact O-N 3.25Å |
| 103 | Q | 45.8 | Very low | 38.2 | Very low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | | | trans | -93.8 | 88.3 | -179.8 | -178 | -175.1 | -4.9 | 0 | 0 | 109.9 | C101 | C101-Q103 PolarHBondContact O-N 3.17Š|
| 104 | D | 34.9 | Very low | 38.8 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | | | trans | -143 | 119.7 | 167.1 | -99.1 | -49.8 | 0 | 0 | 0 | 110.7 | S102 | S102-D104 PolarHBondContact O-N 3.25Š|
| 105 | G | 50.7 | Low | 39.2 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -103.5 | 105.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 106 | N | 35.2 | Very low | 39.9 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | -155.5 | 115.6 | 161.9 | -96.8 | -57.9 | 0 | 0 | 0 | 110.8 | | |
| 107 | L | 45.3 | Very low | 40.2 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 95.7 | 178.5 | -176.9 | 69.1 | 0 | 0 | 0 | 110 | L110 | L107-L110 HydrophobicContact CD1-CB 4.5Å; L107-L110 HydrophobicContact CD1-CD1 4.07Å |
| 108 | P | 44.4 | Very low | 40.6 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | | -138.9 | -5.9 | 123.2 | 35.8 | -24.5 | 0 | 0 | 0 | 114.5 | L110 | P108-L110 PolarHBondContact O-N 3.19Š|
| 109 | T | 43.8 | Very low | 40.8 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 64% | 0.638 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -18.5 | -165.6 | -35.2 | 0 | 0 | 0 | 0 | 114.9 | I111 S112 | T109-I111 VanDerWaalsContact C-N 3.32Å; T109-I111 PolarHBondContact O-N 3.18Å; T109-S112 PolarHBondContact O-N 3.1Å |
| 110 | L | 46 | Very low | 40.9 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -26.2 | -171.6 | -73.2 | 173.7 | 0 | 0 | 0 | 114.6 | L107 P108 S112 S113 | L107-L110 HydrophobicContact CD1-CB 4.5Å; L107-L110 HydrophobicContact CD1-CD1 4.07Å; P108-L110 PolarHBondContact O-N 3.19Å; L110-S112 VanDerWaalsContact C-N 3.26Å; L110-S112 PolarHBondContact O-N 3.09Å; L110-S113 PolarHBondContact O-N 3.05Å |
| 111 | I | 47.8 | Very low | 41.1 | Very low | 142 Ų | 142 | 139 Ų | 139 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -65.9 | -30.7 | -179 | -62.5 | 178.2 | 0 | 0 | 0 | 111.4 | T109 S113 | T109-I111 VanDerWaalsContact C-N 3.32Å; T109-I111 PolarHBondContact O-N 3.18Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 2.92Å |
| 112 | S | 42.3 | Very low | 41.4 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -77.8 | -10.5 | -180 | -59.1 | 0 | 0 | 0 | 0 | 114.7 | T109 L110 | T109-S112 PolarHBondContact O-N 3.1Å; L110-S112 VanDerWaalsContact C-N 3.26Å; L110-S112 PolarHBondContact O-N 3.09Å |
| 113 | S | 40.4 | Very low | 41.6 | Very low | 82 Ų | 82 | 140.9 Ų | 140.9 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -87.7 | -38.1 | -178.6 | -163.9 | 0 | 0 | 0 | 0 | 112.6 | L110 I111 H115 R116 | L110-S113 PolarHBondContact O-N 3.05Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 2.92Å; S113-H115 PolarHBondContact O-N 3.03Å; S113-R116 PolarHBondContact O-N 3.11Å; S113-R116 VanDerWaalsContact O-N 3.09Å |
| 114 | V | 41.8 | Very low | 41.1 | Very low | 114 Ų | 114 | 140 Ų | 140 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -60.5 | -31.8 | -174.9 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | R116 | V114-R116 VanDerWaalsContact C-N 3.25Å; V114-R116 PolarHBondContact O-N 2.77Å |
| 115 | H | 44 | Very low | 41.1 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -4.4 | 179.6 | -101.8 | -84.6 | 0 | 0 | 0 | 115.6 | S113 | S113-H115 PolarHBondContact O-N 3.03Š|
| 116 | R | 45.3 | Very low | 40.2 | Very low | 227 Ų | 227 | 147.7 Ų | 147.7 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -6.9 | -179.3 | -141.6 | 171.2 | -170.2 | 161.7 | 3.7 | 114.9 | S113 V114 R118 | S113-R116 PolarHBondContact O-N 3.11Å; S113-R116 VanDerWaalsContact O-N 3.09Å; V114-R116 VanDerWaalsContact C-N 3.25Å; V114-R116 PolarHBondContact O-N 2.77Å; R116-R118 PolarHBondContact O-N 2.93Å |
| 117 | S | 36.8 | Very low | 39.9 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -98.1 | 46.6 | -177.3 | -169.8 | 0 | 0 | 0 | 0 | 114 | | |
| 118 | R | 42.9 | Very low | 39.1 | Very low | 233 Ų | 233 | 149 Ų | 149 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | | | trans | -120.1 | 26.1 | 171.5 | -75.1 | -164 | 176.9 | -141.6 | 1.9 | 113.8 | R116 | R116-R118 PolarHBondContact O-N 2.93Š|
| 119 | H | 42 | Very low | 38.3 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | | | trans | -137.7 | 74.2 | 176.5 | -89.1 | -80 | 0 | 0 | 0 | 112.6 | | |
| 120 | L | 33.2 | Very low | 37.4 | Very low | 178 Ų | 178 | 152 Ų | 152 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | | | trans | -141.4 | 87.3 | 151.4 | -77.9 | -176.6 | 0 | 0 | 0 | 107.9 | | |
| 121 | V | 35.8 | Very low | 36.6 | Very low | 115 Ų | 115 | 155.5 Ų | 155.5 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | | | trans | -80.3 | 141 | 168.6 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 122 | M | 37 | Very low | 35.7 | Very low | 156 Ų | 156 | 157.3 Ų | 157.3 | 77% | 0.768 | 79% | 0.793 | S | S | * | * | | | trans | -69.6 | 150.3 | 177 | -72.4 | -65.5 | -68.7 | 0 | 0 | 110.9 | E124 | M122-E124 PolarHBondContact O-N 3.48Š|
| 123 | P | 38 | Very low | 35.3 | Very low | 123 Ų | 123 | 163.6 Ų | 163.6 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | trans | -66.5 | 107.7 | -180 | -20.6 | 33.7 | 0 | 0 | 0 | 112.1 | | |
| 124 | E | 36.1 | Very low | 34.7 | Very low | 168 Ų | 168 | 162.6 Ų | 162.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -78.1 | 143.7 | 175.2 | -68.3 | 167.4 | 148.5 | 0 | 0 | 110.9 | M122 | M122-E124 PolarHBondContact O-N 3.48Š|
| 125 | H | 34.2 | Very low | 33.9 | Very low | 191 Ų | 191 | 162.8 Ų | 162.8 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | | | trans | -71 | 134.8 | -175.1 | -120.8 | -98.8 | 0 | 0 | 0 | 111.6 | S127 | H125-S127 PolarHBondContact O-N 3.46Å; H125-S127 VanDerWaalsContact O-N 3.16Å |
| 126 | Q | 31.4 | Very low | 33.4 | Very low | 192 Ų | 192 | 161 Ų | 161 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | trans | -68.7 | 111.8 | 179 | -68.6 | -176.9 | -1 | 0 | 0 | 112.1 | | |
| 127 | S | 30.1 | Very low | 32.6 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -121.1 | 93.5 | 160.9 | 51.5 | 0 | 0 | 0 | 0 | 109.5 | H125 C129 | H125-S127 PolarHBondContact O-N 3.46Å; H125-S127 VanDerWaalsContact O-N 3.16Å; S127-C129 PolarHBondContact O-N 2.67Å |
| 128 | R | 28.1 | Very low | 32.4 | Very low | 206 Ų | 206 | 159.2 Ų | 159.2 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | -90.4 | 103.1 | -170.3 | -172.1 | -175.2 | -178.8 | -151.2 | -1.1 | 112.5 | E130 | R128-E130 IonicContact CZ-OE2 3.98Å; R128-E130 IonicContact NE-OE2 2.67Å; R128-E130 PolarHBondContact NE-OE2 2.79Å; R128-E130 IonicContact NH2-OE2 3.96Å; R128-E130 PolarHBondContact NH2-OE2 2.93Å |
| 129 | C | 27.4 | Very low | 31.7 | Very low | 131 Ų | 131 | 151.6 Ų | 151.6 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | trans | -132.3 | 83 | 164 | -81.1 | 0 | 0 | 0 | 0 | 110.5 | S127 | S127-C129 PolarHBondContact O-N 2.67Š|
| 130 | E | 25.4 | Very low | 31.2 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 62% | 0.621 | 80% | 0.798 | S | S | * | * | | | trans | -81.6 | 118.6 | 174.2 | -69.2 | 170.8 | 98.3 | 0 | 0 | 110.5 | R128 | R128-E130 IonicContact CZ-OE2 3.98Å; R128-E130 IonicContact NE-OE2 2.67Å; R128-E130 PolarHBondContact NE-OE2 2.79Å; R128-E130 IonicContact NH2-OE2 3.96Å; R128-E130 PolarHBondContact NH2-OE2 2.93Å |
| 131 | F | 27.9 | Very low | 31 | Very low | 198 Ų | 198 | 154.3 Ų | 154.3 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | | | trans | -113.5 | 93.1 | 162.4 | -157.9 | -83 | 0 | 0 | 0 | 109.6 | R133 | F131-R133 PolarHBondContact O-N 2.89Š|
| 132 | Q | 29.3 | Very low | 31.7 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -81 | 115.2 | -171.2 | -163.5 | 171.6 | 27.2 | 0 | 0 | 111.1 | | |
| 133 | R | 33.4 | Very low | 31.4 | Very low | 233 Ų | 233 | 152 Ų | 152 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | | | trans | -111.3 | 121.2 | 166.9 | -175.6 | -176.1 | -67.6 | -168.5 | -0.2 | 108.7 | F131 | F131-R133 PolarHBondContact O-N 2.89Š|
| 134 | G | 28.5 | Very low | 31 | Very low | 61 Ų | 61 | 150 Ų | 150 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | | | trans | -135.6 | 131.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 135 | S | 26.3 | Very low | 31.1 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | 63 | 155.1 | 169.6 | -67 | 0 | 0 | 0 | 0 | 117.6 | | |
| 136 | L | 31.4 | Very low | 31.2 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | cis | -162.2 | -175.9 | -31.4 | -164.2 | 58.9 | 0 | 0 | 0 | 106.5 | | |
| 137 | E | 30.1 | Very low | 31.4 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | | | trans | 77.9 | 109.7 | 164.1 | -58.1 | -55.6 | 107.8 | 0 | 0 | 119.9 | | |
| 138 | I | 31.2 | Very low | 31.5 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | | | | 36.7 | 124.8 | 125.5 | -52.9 | -178.9 | 0 | 0 | 0 | 119 | | |
| 139 | G | 28 | Very low | 32 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | 174.3 | 143.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 140 | L | 31.5 | Very low | 32.4 | Very low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | trans | -121.3 | 148.1 | 175 | -77.3 | 170.1 | 0 | 0 | 0 | 111.7 | | |
| 141 | R | 29.8 | Very low | 32.7 | Very low | 236 Ų | 236 | 146.4 Ų | 146.4 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | | | trans | 75.2 | 163.5 | 162.8 | -78.7 | -136.4 | -147.9 | 84 | 0.9 | 119.5 | | |
| 142 | P | 51.6 | Low | 32.8 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -119.8 | -172.2 | -160.7 | 44.7 | -32.7 | 0 | 0 | 0 | 115 | | |
| 143 | A | 29.7 | Very low | 32.7 | Very low | 110 Ų | 110 | 144 Ų | 144 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | 83.6 | 142.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 144 | G | 30.5 | Very low | 32.5 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | 146.4 | 107.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 145 | D | 37.9 | Very low | 33.3 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | | | trans | -73.3 | 164 | 163.9 | -69.2 | -77.4 | 0 | 0 | 0 | 112 | | |
| 146 | L | 35.8 | Very low | 33.6 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | | 161.5 | 136.6 | 118.1 | -81.4 | 168.9 | 0 | 0 | 0 | 115.4 | | |
| 147 | L | 35.4 | Very low | 33.5 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | | | trans | 6.9 | 129.4 | 158 | -79.3 | 60.7 | 0 | 0 | 0 | 122.2 | | |
| 148 | G | 32.1 | Very low | 33.3 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | -122.6 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 149 | K | 39.4 | Very low | 33.2 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 65% | 0.648 | 80% | 0.804 | S | S | * | * | | | trans | 68.5 | 111.6 | 166.6 | -56 | 170.2 | -177 | 166.7 | 0 | 122 | | |
| 150 | R | 34.5 | Very low | 33.4 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | | | trans | 77.2 | 158.9 | 147.9 | -56.1 | 176.6 | -67.6 | -147 | 4.3 | 117.8 | | |
| 151 | L | 32.8 | Very low | 33.2 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | cis | -135.3 | 148 | 10.6 | -77.5 | 80.9 | 0 | 0 | 0 | 113.9 | | |
| 152 | G | 28.8 | Very low | 33.1 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | 65.8 | 148.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 153 | R | 29 | Very low | 32 | Very low | 254 Ų | 254 | 143.1 Ų | 143.1 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | | | cis | -144.9 | 165.9 | -4.9 | -70.2 | -174.4 | 176.3 | -165.2 | -0.2 | 109.6 | | |
| 154 | S | 28.7 | Very low | 32.1 | Very low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | trans | -131.5 | 156 | 171.9 | -167.7 | 0 | 0 | 0 | 0 | 109.3 | R156 | S154-R156 PolarHBondContact OG-N 3.24Š|
| 155 | P | 45.9 | Very low | 32.1 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | | -118.8 | 149.6 | 82.9 | -1 | 23.4 | 0 | 0 | 0 | 113.2 | | |
| 156 | R | 31.6 | Very low | 32 | Very low | 226 Ų | 226 | 153.6 Ų | 153.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | | 59.8 | 143.8 | 79.6 | -51.8 | -165.6 | -169.9 | -128.1 | 11.5 | 113.4 | S154 | S154-R156 PolarHBondContact OG-N 3.24Š|
| 157 | I | 29.7 | Very low | 31.7 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | cis | -144.3 | 143.6 | 24.6 | -64.7 | 169.2 | 0 | 0 | 0 | 107.1 | | |
| 158 | S | 26.2 | Very low | 31.5 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | cis | 90.1 | 82.7 | 24.7 | 179.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 159 | S | 27.9 | Very low | 31.6 | Very low | 116 Ų | 116 | 155.4 Ų | 155.4 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -175.5 | 133.3 | 142.8 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 160 | D | 33.2 | Very low | 31.1 | Very low | 155 Ų | 155 | 155.7 Ų | 155.7 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | -93.1 | 179.8 | 166.4 | -64.6 | -76.6 | 0 | 0 | 0 | 112.5 | | |
| 161 | C | 26.3 | Very low | 31 | Very low | 118 Ų | 118 | 150 Ų | 150 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | 113.9 | 114.9 | 149.6 | -63.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 162 | F | 29 | Very low | 31.6 | Very low | 209 Ų | 209 | 148.4 Ų | 148.4 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | | | trans | 7.1 | 138.7 | 142.6 | -68.1 | -94.7 | 0 | 0 | 0 | 121.8 | | |
| 163 | S | 28.4 | Very low | 31.5 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -155.3 | 175.7 | 130.5 | -139.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 164 | E | 30.4 | Very low | 31.4 | Very low | 150 Ų | 150 | 146 Ų | 146 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -113.3 | -179.2 | -166 | -53.1 | 171 | 50.6 | 0 | 0 | 115.8 | | |
| 165 | K | 31.5 | Very low | 31.5 | Very low | 167 Ų | 167 | 150 Ų | 150 | 73% | 0.726 | 80% | 0.799 | S | S | * | * | | | trans | 100.1 | 119.2 | 139.1 | -83.2 | 174.4 | -179.2 | 73.9 | 0 | 121.7 | | |
| 166 | R | 34.8 | Very low | 30.6 | Very low | 248 Ų | 248 | 148.3 Ų | 148.3 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | trans | -25.9 | 140.5 | 159.2 | -59.9 | 170.4 | 167.2 | -146.1 | -2.3 | 119.7 | | |
| 167 | A | 31 | Very low | 30.6 | Very low | 92 Ų | 92 | 145 Ų | 145 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | | -170.6 | 138.8 | 116.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 168 | R | 31 | Very low | 30.8 | Very low | 223 Ų | 223 | 145.7 Ų | 145.7 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | | | | 47.8 | 125.8 | 73.4 | -108 | -168.2 | -176.2 | -177.7 | 3 | 111.8 | | |
| 169 | S | 34.1 | Very low | 30.9 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | | | cis | -166.9 | 177.9 | 26.3 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 170 | E | 28.2 | Very low | 31.6 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | | | cis | -156.3 | -153.4 | -6.4 | -138.5 | 69.7 | 108.1 | 0 | 0 | 108.4 | | |
| 171 | S | 31.7 | Very low | 31.8 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | | | trans | -144.2 | 167.2 | 174.8 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 172 | P | 45.5 | Very low | 31.9 | Very low | 130 Ų | 130 | 153.6 Ų | 153.6 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | | | trans | -129.6 | 163.5 | 147.9 | 34.4 | -20.7 | 0 | 0 | 0 | 113.5 | | |
| 173 | Q | 27.4 | Very low | 32.8 | Very low | 186 Ų | 186 | 150.2 Ų | 150.2 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | trans | -111.9 | 161.6 | -168.4 | -59 | 159.9 | -87.5 | 0 | 0 | 113 | | |
| 174 | A | 26.8 | Very low | 33.2 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | trans | -154.1 | 141 | 145 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 175 | E | 31 | Very low | 34 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | -36.9 | 154.3 | 170.5 | -86 | 79.7 | 168.9 | 0 | 0 | 116.5 | | |
| 176 | A | 27.5 | Very low | 35.1 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | cis | -160.2 | 171.4 | -2.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 177 | L | 31.4 | Very low | 36.3 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | | | cis | -147.7 | 147.7 | 32.4 | -79 | 161.5 | 0 | 0 | 0 | 112.3 | | |
| 178 | L | 33.1 | Very low | 38.3 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | | | trans | 59 | 114.8 | 160.5 | -56.7 | -177.6 | 0 | 0 | 0 | 119.8 | | |
| 179 | L | 29.1 | Very low | 40 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | | | trans | -104 | 176.6 | 167.4 | -73.1 | 172.6 | 0 | 0 | 0 | 109.4 | | |
| 180 | P | 43.3 | Very low | 41.8 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 72% | 0.723 | S | S | * | * | | | cis | -141.5 | 171.8 | -45.3 | 40.7 | -25.6 | 0 | 0 | 0 | 114.4 | | |
| 181 | R | 35.9 | Very low | 44 | Very low | 208 Ų | 208 | 123 Ų | 123 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | | | trans | 40.9 | 113.8 | 134.3 | -174.4 | -173 | -170.1 | 155.2 | 2.1 | 119.2 | | |
| 182 | E | 28.8 | Very low | 46.3 | Very low | 184 Ų | 184 | 124.3 Ų | 124.3 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | | | trans | -124.2 | 137.1 | 133.2 | -94.6 | -56.3 | 162.5 | 0 | 0 | 110.8 | | |
| 183 | L | 47.2 | Very low | 48 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 73% | 0.728 | 69% | 0.686 | S | S | * | * | | | trans | -108.2 | 81.5 | 179.6 | -178.7 | 67.5 | 0 | 0 | 0 | 108.1 | | |
| 184 | G | 36.9 | Very low | 50.5 | Low | 63 Ų | 63 | 124.5 Ų | 124.5 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | | | trans | -56.2 | 130.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 185 | P | 49 | Very low | 53 | Low | 107 Ų | 107 | 127.7 Ų | 127.7 | 70% | 0.695 | 67% | 0.666 | S | S | * | * | | | trans | -67.2 | 153.3 | 179.2 | 28.6 | -35.1 | 0 | 0 | 0 | 111.3 | M187 | P185-M187 PolarHBondContact O-N 3.2Š|
| 186 | S | 52.9 | Low | 55.4 | Low | 126 Ų | 126 | 123.3 Ų | 123.3 | 88% | 0.881 | 65% | 0.648 | S | S | * | * | | | trans | -62.7 | 110.3 | 167.3 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 187 | M | 60.6 | Low | 57.5 | Low | 77 Ų | 77 | 122.7 Ų | 122.7 | 38% | 0.379 | 64% | 0.636 | S | S | . | * | | | trans | -66.7 | 139.8 | 177.5 | -63.7 | -63 | -48.1 | 0 | 0 | 110.1 | P185 D191 | P185-M187 PolarHBondContact O-N 3.2Å; M187-D191 HydrophobicContact CE-CB 3.5Å; M187-D191 VanDerWaalsContact CE-CB 3.5Å |
| 188 | A | 72.8 | Confident | 59.4 | Low | 43 Ų | 43 | 118.2 Ų | 118.2 | 36% | 0.355 | 62% | 0.618 | S | S | . | * | | | trans | -64.3 | 148.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | E190 D191 H192 | A188-E190 PolarHBondContact O-N 3.45Å; A188-E190 VanDerWaalsContact O-N 3.12Å; A188-D191 PolarHBondContact O-N 2.99Å; A188-D191 VanDerWaalsContact O-N 3.13Å; A188-H192 PolarHBondContact O-N 2.88Å |
| 189 | P | 65.9 | Low | 61.1 | Low | 96 Ų | 96 | 113.1 Ų | 113.1 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -52.2 | -34.6 | 178.5 | -27.3 | 35 | 0 | 0 | 0 | 113.8 | D191 H192 Y193 | P189-D191 PolarHBondContact O-N 3.41Å; P189-H192 WeakPolarHBondContact O-CB 3.3Å; P189-H192 PolarHBondContact O-N 2.92Å; P189-Y193 PolarHBondContact O-N 3.3Å |
| 190 | E | 72.1 | Confident | 62.9 | Low | 122 Ų | 122 | 111 Ų | 111 | 57% | 0.57 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.4 | -36 | -177.1 | -63.2 | 64.9 | -139.2 | 0 | 0 | 112 | A188 Y193 R194 | A188-E190 PolarHBondContact O-N 3.45Å; A188-E190 VanDerWaalsContact O-N 3.12Å; E190-Y193 PolarHBondContact O-N 3.17Å; E190-R194 WeakPolarHBondContact O-CG 3.34Å; E190-R194 PolarHBondContact O-N 2.65Å |
| 191 | D | 75.8 | Confident | 63.7 | Low | 54 Ų | 54 | 109.6 Ų | 109.6 | 29% | 0.289 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -80.2 | -27.4 | 176.6 | -74.1 | -32.5 | 0 | 0 | 0 | 112.3 | M187 A188 P189 R194 R195 | M187-D191 HydrophobicContact CE-CB 3.5Å; M187-D191 VanDerWaalsContact CE-CB 3.5Å; A188-D191 PolarHBondContact O-N 2.99Å; A188-D191 VanDerWaalsContact O-N 3.13Å; P189-D191 PolarHBondContact O-N 3.41Å; D191-R194 IonicContact OD1-CZ 2.83Å; D191-R194 IonicContact OD1-NE 3.35Å; D191-R194 PolarHBondContact OD1-NE 3.11Å; D191-R194 IonicContact OD1-NH2 2.63Å; D191-R194 PolarHBondContact OD1-NH2 2.91Å; D191-R195 WeakPolarHBondContact O-CB 3.42Å; D191-R195 WeakPolarHBondContact O-CG 3.37Å; D191-R195 PolarHBondContact O-N 3Å |
| 192 | H | 80.4 | Confident | 64.6 | Low | 127 Ų | 127 | 107.2 Ų | 107.2 | 59% | 0.588 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.4 | -45.6 | 166.7 | -174.4 | 83.6 | 0 | 0 | 0 | 110.5 | A188 P189 R195 L196 | A188-H192 PolarHBondContact O-N 2.88Å; P189-H192 WeakPolarHBondContact O-CB 3.3Å; P189-H192 PolarHBondContact O-N 2.92Å; H192-R195 PolarHBondContact O-N 3.3Å; H192-L196 WeakPolarHBondContact O-CB 3.49Å; H192-L196 PolarHBondContact O-N 2.94Å |
| 193 | Y | 79.6 | Confident | 65.4 | Low | 157 Ų | 157 | 102.2 Ų | 102.2 | 62% | 0.616 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.7 | -47.5 | 174.4 | -179.7 | -100.7 | 0 | 0 | 0 | 112.1 | P189 E190 R195 L196 V197 | P189-Y193 PolarHBondContact O-N 3.3Å; E190-Y193 PolarHBondContact O-N 3.17Å; Y193-R195 PolarHBondContact O-N 3.44Å; Y193-L196 PolarHBondContact O-N 3.39Å; Y193-V197 HydrophobicContact CD1-CG2 4.22Å; Y193-V197 HydrophobicContact CE1-CG2 3.79Å; Y193-V197 HydrophobicContact CE2-CG2 4.16Å; Y193-V197 WeakPolarHBondContact O-CG2 3.31Å; Y193-V197 PolarHBondContact O-N 3.06Å |
| 194 | R | 80.8 | Confident | 65 | Low | 163 Ų | 163 | 100.1 Ų | 100.1 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.4 | -41.2 | 178.2 | -74.8 | -160.8 | -65.7 | 177.2 | -2.1 | 113 | E190 D191 L196 V197 S198 | E190-R194 WeakPolarHBondContact O-CG 3.34Å; E190-R194 PolarHBondContact O-N 2.65Å; D191-R194 IonicContact OD1-CZ 2.83Å; D191-R194 IonicContact OD1-NE 3.35Å; D191-R194 PolarHBondContact OD1-NE 3.11Å; D191-R194 IonicContact OD1-NH2 2.63Å; D191-R194 PolarHBondContact OD1-NH2 2.91Å; R194-L196 VanDerWaalsContact C-N 3.31Å; R194-L196 PolarHBondContact O-N 3.12Å; R194-V197 PolarHBondContact O-N 2.86Å; R194-S198 PolarHBondContact O-N 3.19Å; R194-S198 PolarHBondContact O-OG 3.18Å |
| 195 | R | 79.6 | Confident | 65.5 | Low | 161 Ų | 161 | 103.7 Ų | 103.7 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.8 | -38.8 | 173.9 | -75.2 | 178.8 | -178.3 | 170.3 | 5 | 112.3 | D191 H192 Y193 S198 A199 | D191-R195 WeakPolarHBondContact O-CB 3.42Å; D191-R195 WeakPolarHBondContact O-CG 3.37Å; D191-R195 PolarHBondContact O-N 3Å; H192-R195 PolarHBondContact O-N 3.3Å; Y193-R195 PolarHBondContact O-N 3.44Å; R195-S198 PolarHBondContact O-N 3.16Å; R195-A199 WeakPolarHBondContact O-CB 3.31Å; R195-A199 PolarHBondContact O-N 2.97Å |
| 196 | L | 81.8 | Confident | 64.8 | Low | 89 Ų | 89 | 107.9 Ų | 107.9 | 47% | 0.466 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.8 | -39.9 | 177.6 | -169.6 | 148.1 | 0 | 0 | 0 | 111.8 | H192 Y193 R194 L200 | H192-L196 WeakPolarHBondContact O-CB 3.49Å; H192-L196 PolarHBondContact O-N 2.94Å; Y193-L196 PolarHBondContact O-N 3.39Å; R194-L196 VanDerWaalsContact C-N 3.31Å; R194-L196 PolarHBondContact O-N 3.12Å; L196-L200 HydrophobicContact CD2-CD1 3.73Å; L196-L200 HydrophobicContact CD2-CG 4.49Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 3.47Å; L196-L200 VanDerWaalsContact O-N 3.14Å |
| 197 | V | 71 | Confident | 64.2 | Low | 68 Ų | 68 | 109.9 Ų | 109.9 | 41% | 0.412 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -43 | 173.2 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | Y193 R194 L200 S201 | Y193-V197 HydrophobicContact CD1-CG2 4.22Å; Y193-V197 HydrophobicContact CE1-CG2 3.79Å; Y193-V197 HydrophobicContact CE2-CG2 4.16Å; Y193-V197 WeakPolarHBondContact O-CG2 3.31Å; Y193-V197 PolarHBondContact O-N 3.06Å; R194-V197 PolarHBondContact O-N 2.86Å; V197-L200 PolarHBondContact O-N 3.26Å; V197-S201 PolarHBondContact O-N 3.32Å; V197-S201 VanDerWaalsContact O-N 3.15Å |
| 198 | S | 71 | Confident | 63 | Low | 62 Ų | 62 | 110.6 Ų | 110.6 | 43% | 0.434 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61 | -48 | 175.3 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | R194 R195 L200 S201 E202 | R194-S198 PolarHBondContact O-N 3.19Å; R194-S198 PolarHBondContact O-OG 3.18Å; R195-S198 PolarHBondContact O-N 3.16Å; S198-L200 VanDerWaalsContact C-N 3.27Å; S198-L200 PolarHBondContact O-N 2.91Å; S198-S201 WeakPolarHBondContact O-CA 3.45Å; S198-S201 PolarHBondContact O-N 2.81Å; S198-S201 PolarHBondContact O-OG 3.49Å; S198-E202 PolarHBondContact O-N 3.44Å; S198-E202 VanDerWaalsContact O-N 3.11Å |
| 199 | A | 69.8 | Low | 61.6 | Low | 59 Ų | 59 | 113.9 Ų | 113.9 | 49% | 0.488 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.4 | -33.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | R195 S201 A203 | R195-A199 WeakPolarHBondContact O-CB 3.31Å; R195-A199 PolarHBondContact O-N 2.97Å; A199-S201 VanDerWaalsContact C-N 3.34Å; A199-A203 PolarHBondContact O-N 2.96Å |
| 200 | L | 66.3 | Low | 60.4 | Low | 120 Ų | 120 | 117.4 Ų | 117.4 | 63% | 0.628 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.7 | -28 | 172.9 | -71.3 | 172 | 0 | 0 | 0 | 113 | L196 V197 S198 | L196-L200 HydrophobicContact CD2-CD1 3.73Å; L196-L200 HydrophobicContact CD2-CG 4.49Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 3.47Å; L196-L200 VanDerWaalsContact O-N 3.14Å; V197-L200 PolarHBondContact O-N 3.26Å; S198-L200 VanDerWaalsContact C-N 3.27Å; S198-L200 PolarHBondContact O-N 2.91Å |
| 201 | S | 60.7 | Low | 58.9 | Low | 77 Ų | 77 | 122.1 Ų | 122.1 | 54% | 0.538 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -79.4 | -28 | 177.3 | 70.5 | 0 | 0 | 0 | 0 | 113.9 | V197 S198 A199 | V197-S201 PolarHBondContact O-N 3.32Å; V197-S201 VanDerWaalsContact O-N 3.15Å; S198-S201 WeakPolarHBondContact O-CA 3.45Å; S198-S201 PolarHBondContact O-N 2.81Å; S198-S201 PolarHBondContact O-OG 3.49Å; A199-S201 VanDerWaalsContact C-N 3.34Å |
| 202 | E | 53.2 | Low | 57.2 | Low | 158 Ų | 158 | 126.7 Ų | 126.7 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.3 | -21.7 | 176.5 | -67.9 | 177.4 | 162.9 | 0 | 0 | 112.6 | S198 S204 | S198-E202 PolarHBondContact O-N 3.44Å; S198-E202 VanDerWaalsContact O-N 3.11Å; E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 3.41Å |
| 203 | A | 47.3 | Very low | 55 | Low | 78 Ų | 78 | 130.4 Ų | 130.4 | 65% | 0.645 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -3.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A199 T205 | A199-A203 PolarHBondContact O-N 2.96Å; A203-T205 PolarHBondContact O-N 3Å |
| 204 | S | 38.2 | Very low | 52.9 | Low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 67% | 0.67 | S | S | * | * | | | trans | -96.6 | 47.1 | -171.7 | 74.2 | 0 | 0 | 0 | 0 | 115 | E202 F206 | E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 3.41Å; S204-F206 PolarHBondContact O-N 2.97Å |
| 205 | T | 47.2 | Very low | 50.7 | Low | 138 Ų | 138 | 133.2 Ų | 133.2 | 85% | 0.847 | 69% | 0.686 | S | S | * | * | | | trans | -86 | 85.2 | 164.2 | 56.2 | 0 | 0 | 0 | 0 | 110.1 | A203 | A203-T205 PolarHBondContact O-N 3Š|
| 206 | F | 34.4 | Very low | 48.2 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | | | trans | -126.7 | 137.5 | 170.6 | -168.3 | -95.8 | 0 | 0 | 0 | 110.3 | S204 | S204-F206 PolarHBondContact O-N 2.97Š|
| 207 | E | 40.5 | Very low | 45.9 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | | | trans | -70.1 | 150.5 | -167.7 | -74.3 | -110.1 | 78.3 | 0 | 0 | 114.3 | P209 | E207-P209 WeakPolarHBondContact O-CD 3.46Š|
| 208 | D | 34.7 | Very low | 44.5 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 49% | 0.492 | 73% | 0.726 | S | S | . | * | | | trans | -77.8 | 119.4 | 172.2 | 166.9 | 36.7 | 0 | 0 | 0 | 111.6 | Q210 | D208-Q210 VanDerWaalsContact C-N 3.26Å; D208-Q210 PolarHBondContact O-N 3.12Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.36Å; D208-Q210 WeakPolarHBondContact OD1-CG 3.33Å; D208-Q210 PolarHBondContact OD1-N 3.31Å |
| 209 | P | 43.6 | Very low | 42.6 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -71.3 | -7.2 | 178.9 | -19.9 | 34.2 | 0 | 0 | 0 | 115.8 | E207 R211 | E207-P209 WeakPolarHBondContact O-CD 3.46Å; P209-R211 VanDerWaalsContact C-N 3.26Å; P209-R211 PolarHBondContact O-N 3.22Å |
| 210 | Q | 39.8 | Very low | 40.8 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -74.8 | -4.6 | -169.2 | -65.8 | -163 | 2.5 | 0 | 0 | 115.6 | D208 L212 | D208-Q210 VanDerWaalsContact C-N 3.26Å; D208-Q210 PolarHBondContact O-N 3.12Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.36Å; D208-Q210 WeakPolarHBondContact OD1-CG 3.33Å; D208-Q210 PolarHBondContact OD1-N 3.31Å; Q210-L212 PolarHBondContact O-N 3.01Å |
| 211 | R | 42.4 | Very low | 39 | Very low | 222 Ų | 222 | 140.4 Ų | 140.4 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -84.7 | 1.8 | -172.8 | -52.8 | -164.1 | 74.4 | 153.1 | 3.6 | 116.1 | P209 | P209-R211 VanDerWaalsContact C-N 3.26Å; P209-R211 PolarHBondContact O-N 3.22Å |
| 212 | L | 39.8 | Very low | 37.6 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -99.7 | 17 | -171.7 | -147.2 | 85.3 | 0 | 0 | 0 | 116.7 | Q210 | Q210-L212 PolarHBondContact O-N 3.01Š|
| 213 | Y | 34.1 | Very low | 36.8 | Very low | 205 Ų | 205 | 146.2 Ų | 146.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -137.7 | 141.6 | 163.6 | -72.4 | -77 | 0 | 0 | 0 | 110.3 | | |
| 214 | H | 35.5 | Very low | 37.1 | Very low | 193 Ų | 193 | 148 Ų | 148 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | | | trans | 94.3 | 52.1 | -169.1 | -54.8 | 97.7 | 0 | 0 | 0 | 117.1 | | |
| 215 | L | 34.7 | Very low | 37.6 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 97% | 0.969 | 79% | 0.787 | S | S | * | * | | | trans | -121.8 | 114.9 | 150.1 | -102.5 | 168.1 | 0 | 0 | 0 | 109.3 | | |
| 216 | G | 26.4 | Very low | 37 | Very low | 68 Ų | 68 | 151.8 Ų | 151.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | -159 | 103.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 217 | L | 32.3 | Very low | 37 | Very low | 172 Ų | 172 | 151.3 Ų | 151.3 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | | | trans | 75.1 | 153.4 | 174 | -57.9 | 178.1 | 0 | 0 | 0 | 116.4 | | |
| 218 | P | 41.9 | Very low | 36.7 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | trans | -132.4 | -179.9 | -139.7 | 40.9 | -24.1 | 0 | 0 | 0 | 116.2 | | |
| 219 | S | 31.1 | Very low | 37.9 | Very low | 93 Ų | 93 | 151 Ų | 151 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | | | trans | 131 | 126.5 | 131.6 | -76.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 220 | H | 32.1 | Very low | 38 | Very low | 193 Ų | 193 | 151.2 Ų | 151.2 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | | | trans | 52.3 | 124.7 | 147.7 | -66.4 | -79 | 0 | 0 | 0 | 121 | | |
| 221 | G | 29 | Very low | 37.9 | Very low | 73 Ų | 73 | 150.9 Ų | 150.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | -179.3 | 30.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 222 | E | 31.9 | Very low | 37.6 | Very low | 197 Ų | 197 | 148.4 Ų | 148.4 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | 48 | 102.9 | 155.4 | -52.5 | -172.9 | 133.2 | 0 | 0 | 121.3 | | |
| 223 | D | 35.7 | Very low | 37.5 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | trans | -78 | 174.1 | 143.6 | -57.4 | -71.8 | 0 | 0 | 0 | 109.8 | | |
| 224 | P | 52.8 | Low | 37.9 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | cis | -139.4 | -143 | 11.2 | 44.1 | -21.4 | 0 | 0 | 0 | 111.5 | | |
| 225 | P | 50.2 | Low | 38.4 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 59% | 0.591 | 79% | 0.794 | S | S | * | * | | | cis | -139 | 175.9 | -16.3 | 42 | -24.1 | 0 | 0 | 0 | 118.1 | | |
| 226 | W | 34.4 | Very low | 39.1 | Very low | 221 Ų | 221 | 140.8 Ų | 140.8 | 84% | 0.837 | 78% | 0.784 | S | S | * | * | | | trans | 60.5 | 113.6 | 154.4 | -55.3 | 127.1 | 0 | 0 | 0 | 121.3 | | |
| 227 | H | 33.2 | Very low | 40 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | | | | -176.9 | 152.8 | 94.4 | -99.2 | -76.7 | 0 | 0 | 0 | 111.6 | | |
| 228 | D | 34.3 | Very low | 40.6 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | -123.1 | 172.5 | -175.4 | -112.5 | -25.4 | 0 | 0 | 0 | 111.9 | | |
| 229 | P | 59.8 | Low | 40.9 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | trans | -98.5 | -175.8 | -134 | 40.7 | -42.4 | 0 | 0 | 0 | 116.1 | | |
| 230 | P | 47 | Very low | 41.8 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | | -144.5 | 138 | 108.3 | 37.2 | -22.9 | 0 | 0 | 0 | 117.5 | | |
| 231 | H | 37.4 | Very low | 42.6 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | | | trans | 34.4 | 137.7 | 137.8 | -69.5 | -92.3 | 0 | 0 | 0 | 124.8 | | |
| 232 | H | 37 | Very low | 43.4 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | | | trans | 72.1 | 110.4 | 155.4 | -67.8 | -66.3 | 0 | 0 | 0 | 120.7 | | |
| 233 | L | 36.9 | Very low | 44 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | | | | -161.8 | 169 | 111 | -119.3 | 75.1 | 0 | 0 | 0 | 109.3 | | |
| 234 | P | 42.1 | Very low | 44.5 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | -92.4 | 160.1 | -160.1 | 36 | -37.9 | 0 | 0 | 0 | 116.6 | H236 | P234-H236 PolarHBondContact O-N 2.84Š|
| 235 | S | 47.3 | Very low | 44.2 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | -69 | 116.7 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 236 | H | 48.5 | Very low | 43.8 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -147.2 | -26 | 154.6 | -152.4 | -84.7 | 0 | 0 | 0 | 115.1 | P234 | P234-H236 PolarHBondContact O-N 2.84Š|
| 237 | D | 44.6 | Very low | 44.2 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -88.5 | -7.3 | -171.5 | -76.6 | -56.8 | 0 | 0 | 0 | 116.8 | L239 R240 | D237-L239 PolarHBondContact O-N 3.23Å; D237-L239 VanDerWaalsContact O-N 3.12Å; D237-R240 PolarHBondContact O-N 3.35Å |
| 238 | L | 45.9 | Very low | 44.6 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -70.3 | -6.6 | -178.6 | -103.7 | 168.1 | 0 | 0 | 0 | 115 | | |
| 239 | L | 47 | Very low | 44.8 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -93.4 | -18.4 | 178 | -65.7 | 179.1 | 0 | 0 | 0 | 114.1 | D237 | D237-L239 PolarHBondContact O-N 3.23Å; D237-L239 VanDerWaalsContact O-N 3.12Å |
| 240 | R | 50.8 | Low | 43.8 | Very low | 199 Ų | 199 | 140.9 Ų | 140.9 | 75% | 0.751 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -32.8 | -176.4 | -173.4 | 163.1 | -74.8 | 165.1 | -1 | 113.4 | D237 | D237-R240 PolarHBondContact O-N 3.35Š|
| 241 | V | 48.8 | Very low | 43.3 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -23.5 | -175.4 | 179.3 | 0 | 0 | 0 | 0 | 113 | Q243 | V241-Q243 PolarHBondContact O-N 3.08Š|
| 242 | R | 45.1 | Very low | 43.2 | Very low | 224 Ų | 224 | 142.6 Ų | 142.6 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -3.6 | -173.7 | -155.7 | 169.4 | -174.8 | -104.7 | 0.9 | 114.6 | | |
| 243 | Q | 45 | Very low | 43.7 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -101.8 | -16.7 | -174.2 | -161.1 | 155.1 | 13.4 | 0 | 0 | 115 | V241 | V241-Q243 PolarHBondContact O-N 3.08Š|
| 244 | E | 47.3 | Very low | 43.4 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -83 | -22.3 | -180 | -65.9 | -168.2 | 123.7 | 0 | 0 | 114.2 | A246 | E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 3.13Å |
| 245 | V | 46.2 | Very low | 42.9 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -18.5 | -176.6 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 246 | A | 42 | Very low | 42.2 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -9.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E244 | E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 3.13Å |
| 247 | A | 42.8 | Very low | 41.3 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -103.4 | -4.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 248 | A | 40.6 | Very low | 40.5 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | | | trans | -106.1 | 6.2 | -166 | 0 | 0 | 0 | 0 | 0 | 115.8 | L250 | A248-L250 PolarHBondContact O-N 2.85Š|
| 249 | A | 38.4 | Very low | 39.6 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 11.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 250 | L | 39.5 | Very low | 38.9 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | 32.4 | -175 | -75.8 | 177.9 | 0 | 0 | 0 | 115.3 | A248 | A248-L250 PolarHBondContact O-N 2.85Š|
| 251 | R | 36.9 | Very low | 38.2 | Very low | 239 Ų | 239 | 135.9 Ų | 135.9 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -141.5 | 110.4 | 158.6 | -70 | -170.3 | -177.8 | 145.1 | 4.5 | 110.7 | | |
| 252 | G | 35.6 | Very low | 37.1 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -85 | 139.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 253 | P | 46 | Very low | 36.3 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -87.9 | 147.1 | 168.1 | 34.6 | -31.7 | 0 | 0 | 0 | 111.1 | | |
| 254 | S | 31.5 | Very low | 35.6 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | | | trans | -114.8 | 132.8 | 169.2 | -66.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 255 | G | 30.5 | Very low | 34.9 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | 90.2 | 112.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 256 | L | 33.6 | Very low | 34.2 | Very low | 176 Ų | 176 | 123.2 Ų | 123.2 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | | | | -163.5 | 153.5 | 110.1 | -102.2 | 166.9 | 0 | 0 | 0 | 111.6 | | |
| 257 | E | 28.9 | Very low | 33.7 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -44.3 | 159.4 | 169.9 | -128.1 | 86.4 | 123.5 | 0 | 0 | 113.3 | | |
| 258 | A | 28 | Very low | 33.2 | Very low | 64 Ų | 64 | 133 Ų | 133 | 53% | 0.529 | 80% | 0.803 | S | S | . | * | | | cis | -170.5 | -178.2 | 24.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 259 | H | 27.2 | Very low | 33 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | | | trans | 73.6 | 102.4 | 152.2 | -58.7 | -49.9 | 0 | 0 | 0 | 121.4 | | |
| 260 | L | 32 | Very low | 33.4 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -86.3 | 152.2 | 149.6 | -65.1 | 168.2 | 0 | 0 | 0 | 111.2 | | |
| 261 | P | 35.4 | Very low | 33.2 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -86.6 | 165.1 | 146.9 | 34.8 | -30.4 | 0 | 0 | 0 | 111.5 | | |
| 262 | S | 27.3 | Very low | 32.9 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -147 | 177.1 | -166.4 | -171.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 263 | S | 28.5 | Very low | 32.7 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | 77 | 153.6 | 178.3 | -134.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 264 | T | 29 | Very low | 32 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | | | cis | -128.9 | 144.6 | 9.3 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 265 | A | 32.9 | Very low | 32.1 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | | 74.5 | 116.6 | 57.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 266 | G | 30.7 | Very low | 32 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | | | trans | -165.6 | 21.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 267 | Q | 33.3 | Very low | 31.8 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | 67 | 172.8 | 170.1 | -41.1 | -171 | 7.9 | 0 | 0 | 116.3 | | |
| 268 | R | 30.4 | Very low | 32 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | cis | -152.8 | 140.8 | 7.5 | -154 | 167.7 | -171.2 | -99.7 | 10.5 | 114.5 | | |
| 269 | R | 37.8 | Very low | 32.2 | Very low | 214 Ų | 214 | 144.5 Ų | 144.5 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | -26.3 | 160 | 157.3 | -67.6 | 169 | 172.7 | 177.2 | -2.9 | 117.2 | | |
| 270 | K | 45.8 | Very low | 32.4 | Very low | 165 Ų | 165 | 141 Ų | 141 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | | | cis | -171.3 | 175.3 | 21.7 | -135.5 | 174.3 | -176.8 | -168.2 | 0 | 114.3 | | |
| 271 | Q | 35.5 | Very low | 32.6 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | 80.4 | 136.8 | 157.5 | -73.7 | 156.9 | -68.5 | 0 | 0 | 118.7 | | |
| 272 | G | 31.3 | Very low | 33.1 | Very low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | cis | -163.6 | 170.8 | -1.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 273 | L | 31.4 | Very low | 33.2 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | -14.6 | 151.3 | 155.4 | -84 | 64.7 | 0 | 0 | 0 | 117.6 | | |
| 274 | A | 31.8 | Very low | 33.4 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | | | cis | -170 | -166.2 | -6.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 275 | Q | 32 | Very low | 33.7 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | cis | -161.7 | 170.5 | 4.6 | -152.1 | 155.5 | -41.9 | 0 | 0 | 112.1 | | |
| 276 | H | 28.2 | Very low | 34.2 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 68% | 0.681 | 79% | 0.793 | S | S | * | * | | | trans | 71.9 | 109 | 149 | -146.8 | -85 | 0 | 0 | 0 | 121.5 | E278 | H276-E278 IonicContact CE1-OE2 3.15Å; H276-E278 IonicContact ND1-OE2 3.37Å |
| 277 | R | 30.8 | Very low | 34.1 | Very low | 224 Ų | 224 | 138.8 Ų | 138.8 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | | -148.2 | 153.3 | 126.5 | -162 | 165.9 | -172.9 | 85.5 | 8.4 | 110 | | |
| 278 | E | 32.2 | Very low | 34 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | -66.8 | 170 | 179.5 | -57.9 | 104.1 | 116 | 0 | 0 | 114.2 | H276 | H276-E278 IonicContact CE1-OE2 3.15Å; H276-E278 IonicContact ND1-OE2 3.37Å |
| 279 | G | 32.6 | Very low | 34.1 | Very low | 72 Ų | 72 | 133.8 Ų | 133.8 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | -135.6 | -142 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 280 | A | 31.9 | Very low | 33.5 | Very low | 109 Ų | 109 | 133 Ų | 133 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | trans | 71.7 | 144.3 | -159.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 281 | A | 34.8 | Very low | 33.1 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | cis | -137.2 | 171 | 0.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 282 | P | 46.9 | Very low | 32.7 | Very low | 124 Ų | 124 | 133 Ų | 133 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | trans | -111.7 | 173.6 | -150.1 | 42 | -37.7 | 0 | 0 | 0 | 118.2 | | |
| 283 | A | 29.9 | Very low | 33.1 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 78.3 | 85.4 | 144 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 284 | A | 33 | Very low | 33.4 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | | -165.1 | 150.8 | 126.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 285 | A | 33.9 | Very low | 33.5 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -157.6 | 166.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 286 | P | 43.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | cis | -123.9 | 167.6 | -6.7 | 38.6 | -24.7 | 0 | 0 | 0 | 114.1 | | |
| 287 | S | 29.8 | Very low | 34.2 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -152.7 | 121.5 | 159.5 | -168.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 288 | F | 29.7 | Very low | 34.9 | Very low | 194 Ų | 194 | 129.7 Ų | 129.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -92 | 150.7 | 164 | -91.1 | -135 | 0 | 0 | 0 | 107.9 | | |
| 289 | S | 32.3 | Very low | 35 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | | | cis | -153 | 145.9 | -1.2 | -103.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 290 | E | 27.3 | Very low | 35.1 | Very low | 197 Ų | 197 | 136 Ų | 136 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | | | trans | 21.5 | 129.9 | 145.7 | -151.1 | 171.5 | 122.7 | 0 | 0 | 121.2 | | |
| 291 | R | 35.5 | Very low | 35.2 | Very low | 217 Ų | 217 | 136.1 Ų | 136.1 | 82% | 0.819 | 81% | 0.805 | S | S | * | * | | | trans | -148.2 | 141.1 | 169.4 | 176.4 | 171.6 | 164.4 | 139.8 | 6.3 | 111.3 | | |
| 292 | E | 28.4 | Very low | 35.5 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 64% | 0.64 | 81% | 0.805 | S | S | * | * | | | trans | 74 | 106.7 | 166.8 | -81.4 | 171.7 | 65.1 | 0 | 0 | 121.3 | | |
| 293 | L | 39.6 | Very low | 35.4 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | | 57.1 | 144.9 | 125.6 | -99.4 | 68.3 | 0 | 0 | 0 | 122.2 | | |
| 294 | P | 37.7 | Very low | 35.7 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | | -141.5 | 166 | 101.1 | 39.2 | -27.4 | 0 | 0 | 0 | 116.2 | | |
| 295 | Q | 34.1 | Very low | 35.5 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 156 | 170.1 | -62.9 | 176.3 | -39.5 | 0 | 0 | 112.4 | | |
| 296 | P | 35.4 | Very low | 35.8 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 158.5 | 153.9 | 35.5 | -29.9 | 0 | 0 | 0 | 112.6 | | |
| 297 | P | 38.9 | Very low | 35.6 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 165.1 | -167.6 | 34.3 | -37.7 | 0 | 0 | 0 | 115.4 | | |
| 298 | P | 44.9 | Very low | 36.2 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 146.5 | -178.8 | 32.7 | -36.1 | 0 | 0 | 0 | 113.5 | | |
| 299 | L | 33.9 | Very low | 36.6 | Very low | 176 Ų | 176 | 141 Ų | 141 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -134 | 155.8 | 167.2 | -72.2 | 176.7 | 0 | 0 | 0 | 111.2 | | |
| 300 | L | 35.1 | Very low | 37.1 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 155 | -159.2 | -64.8 | 163.9 | 0 | 0 | 0 | 114.5 | | |
| 301 | S | 34.4 | Very low | 37.6 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 140.2 | 173.7 | -42 | 0 | 0 | 0 | 0 | 112.9 | | |
| 302 | P | 40.8 | Very low | 38.1 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 138.1 | 152.4 | 33.1 | -29.4 | 0 | 0 | 0 | 110.5 | | |
| 303 | Q | 45.3 | Very low | 39.1 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 173.7 | 171.4 | -63.4 | 179.2 | 2.7 | 0 | 0 | 111.3 | | |
| 304 | N | 35.2 | Very low | 39.5 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | 76.5 | 83.6 | 170.1 | -60.3 | -51.8 | 0 | 0 | 0 | 118.7 | | |
| 305 | A | 30.2 | Very low | 39.6 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | | | trans | -151 | 127.5 | 136.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | H307 | A305-H307 PolarHBondContact O-N 3.02Š|
| 306 | P | 40.5 | Very low | 39.7 | Very low | 135 Ų | 135 | 137 Ų | 137 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -81.2 | 107.5 | -174.6 | 31.2 | -33.6 | 0 | 0 | 0 | 111.9 | | |
| 307 | H | 38 | Very low | 40.6 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | trans | -92.1 | 120.8 | 165.1 | 52 | -86.4 | 0 | 0 | 0 | 109.6 | A305 A309 | A305-H307 PolarHBondContact O-N 3.02Å; H307-A309 PolarHBondContact O-N 3.43Å |
| 308 | V | 41.8 | Very low | 40.7 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | | | trans | -74.8 | 108.9 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | L310 | V308-L310 HydrophobicContact CG1-CD2 4.38Å; V308-L310 PolarHBondContact O-N 2.9Å; V308-L310 VanDerWaalsContact O-N 3.07Å |
| 309 | A | 38.9 | Very low | 40.7 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -72 | 97.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | H307 G311 | H307-A309 PolarHBondContact O-N 3.43Å; A309-G311 PolarHBondContact O-N 3.32Å |
| 310 | L | 42.5 | Very low | 40.8 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -75 | 105 | 168.7 | -68.3 | 176.5 | 0 | 0 | 0 | 109.5 | V308 | V308-L310 HydrophobicContact CG1-CD2 4.38Å; V308-L310 PolarHBondContact O-N 2.9Å; V308-L310 VanDerWaalsContact O-N 3.07Å |
| 311 | G | 38.1 | Very low | 41.4 | Very low | 49 Ų | 49 | 134.9 Ų | 134.9 | 51% | 0.505 | 78% | 0.784 | S | S | . | * | | | trans | -63.4 | 150.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A309 H313 | A309-G311 PolarHBondContact O-N 3.32Å; G311-H313 VanDerWaalsContact C-N 3.27Å; G311-H313 PolarHBondContact O-N 2.94Å |
| 312 | P | 46.9 | Very low | 41.6 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -79.8 | 61 | -169.3 | 34.4 | -38.3 | 0 | 0 | 0 | 113.7 | | |
| 313 | H | 48.4 | Very low | 41.7 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | trans | -100.7 | 21.6 | -177.3 | -69.4 | -62.6 | 0 | 0 | 0 | 115.1 | G311 | G311-H313 VanDerWaalsContact C-N 3.27Å; G311-H313 PolarHBondContact O-N 2.94Å |
| 314 | L | 48.1 | Very low | 41.8 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | -129.7 | 79.7 | 173.1 | -69.1 | 176.4 | 0 | 0 | 0 | 111.8 | | |
| 315 | R | 39.4 | Very low | 42.2 | Very low | 219 Ų | 219 | 131.7 Ų | 131.7 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | -131.7 | 133.1 | 155.6 | -83.3 | -167.1 | 173.2 | 98.1 | -2.4 | 109.8 | | |
| 316 | P | 37.4 | Very low | 42.7 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | trans | -72.5 | 148.3 | 166.3 | 32 | -33.5 | 0 | 0 | 0 | 110.2 | F318 | P316-F318 PolarHBondContact O-N 3.45Š|
| 317 | P | 52.7 | Low | 42.8 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -82.3 | 106.2 | -179.5 | 31.8 | -32.9 | 0 | 0 | 0 | 111.4 | | |
| 318 | F | 41.8 | Very low | 42.6 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | -134 | 127.8 | 164.1 | -82 | -76.7 | 0 | 0 | 0 | 110.9 | P316 | P316-F318 PolarHBondContact O-N 3.45Š|
| 319 | L | 44.3 | Very low | 42.9 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | trans | 45.9 | 85.1 | 155 | -53.2 | -179.9 | 0 | 0 | 0 | 116.5 | V321 | L319-V321 PolarHBondContact O-N 2.99Š|
| 320 | G | 36.1 | Very low | 43.2 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 92% | 0.918 | 79% | 0.788 | S | S | * | * | | | trans | -70.6 | 88.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 321 | V | 47.6 | Very low | 43.4 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | | | trans | -92.8 | 133.8 | 166.7 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | L319 S323 | L319-V321 PolarHBondContact O-N 2.99Å; V321-S323 PolarHBondContact O-N 3.3Å |
| 322 | P | 39.5 | Very low | 43.9 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | trans | -68.1 | 115.9 | 178.3 | -20 | 32.7 | 0 | 0 | 0 | 112.2 | A324 | P322-A324 PolarHBondContact O-N 3.2Š|
| 323 | S | 42.6 | Very low | 44.3 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | | | trans | -73.5 | 69.4 | 173.6 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | V321 | V321-S323 PolarHBondContact O-N 3.3Š|
| 324 | A | 47.3 | Very low | 44.7 | Very low | 84 Ų | 84 | 135 Ų | 135 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | | | trans | -111 | -3.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P322 | P322-A324 PolarHBondContact O-N 3.2Š|
| 325 | L | 44.3 | Very low | 45.8 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -125.7 | 60.3 | -177.7 | -68.7 | 176.7 | 0 | 0 | 0 | 112.2 | | |
| 326 | C | 40.3 | Very low | 47.2 | Very low | 112 Ų | 112 | 124 Ų | 124 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | | | trans | -157.1 | 58.7 | 168 | -121.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 327 | Q | 41.9 | Very low | 48.9 | Very low | 198 Ų | 198 | 122 Ų | 122 | 93% | 0.925 | 74% | 0.741 | S | S | * | * | | | trans | -126.4 | 49.5 | 167.3 | -73.1 | -162.5 | 71.4 | 0 | 0 | 111.5 | | |
| 328 | T | 35.4 | Very low | 50 | Low | 94 Ų | 94 | 121 Ų | 121 | 58% | 0.577 | 73% | 0.726 | S | S | * | * | | | trans | -88.3 | 116.1 | 160.1 | 36.3 | 0 | 0 | 0 | 0 | 109 | G330 | T328-G330 PolarHBondContact O-N 2.95Š|
| 329 | P | 48 | Very low | 51.7 | Low | 142 Ų | 142 | 114.8 Ų | 114.8 | 92% | 0.922 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 101.7 | 176.2 | -17.2 | 31.6 | 0 | 0 | 0 | 110.1 | | |
| 330 | G | 45.5 | Very low | 53.5 | Low | 75 Ų | 75 | 113.4 Ų | 113.4 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.6 | -21.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | T328 G332 | T328-G330 PolarHBondContact O-N 2.95Å; G330-G332 PolarHBondContact O-N 3.5Å |
| 331 | Y | 45.8 | Very low | 55.6 | Low | 214 Ų | 214 | 115.1 Ų | 115.1 | 84% | 0.839 | 68% | 0.682 | S | S | * | * | | | trans | -75.8 | 94.2 | -179.7 | -91.8 | -82.8 | 0 | 0 | 0 | 112.5 | | |
| 332 | G | 49.2 | Very low | 57.4 | Low | 61 Ų | 61 | 115 Ų | 115 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | | | trans | -62.5 | 136.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G330 L334 | G330-G332 PolarHBondContact O-N 3.5Å; G332-L334 PolarHBondContact O-N 3.02Å; G332-L334 VanDerWaalsContact O-N 3.17Å |
| 333 | F | 55.8 | Low | 59.8 | Low | 188 Ų | 188 | 112.5 Ų | 112.5 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | | | trans | -66.6 | 111.3 | 176.5 | -171.4 | -87.9 | 0 | 0 | 0 | 109.7 | | |
| 334 | L | 55.5 | Low | 62.1 | Low | 93 Ų | 93 | 114.8 Ų | 114.8 | 49% | 0.487 | 65% | 0.649 | S | S | . | * | | | trans | -59 | 127.7 | 175.8 | -76.8 | 172.6 | 0 | 0 | 0 | 109.7 | G332 Q338 | G332-L334 PolarHBondContact O-N 3.02Å; G332-L334 VanDerWaalsContact O-N 3.17Å; L334-Q338 HydrophobicContact CD2-CG 4.26Å |
| 335 | P | 72.4 | Confident | 64.3 | Low | 74 Ų | 74 | 117 Ų | 117 | 48% | 0.481 | 65% | 0.645 | S | S | . | * | | | trans | -54.7 | 143.6 | 174.9 | -26.7 | 35.3 | 0 | 0 | 0 | 111.2 | A337 Q338 A339 | P335-A337 VanDerWaalsContact C-N 3.3Å; P335-A337 PolarHBondContact O-N 3.21Å; P335-A337 VanDerWaalsContact O-N 3.1Å; P335-Q338 WeakPolarHBondContact O-CA 3.38Å; P335-Q338 WeakPolarHBondContact O-CB 3.45Å; P335-Q338 PolarHBondContact O-N 2.9Å; P335-A339 PolarHBondContact O-N 3.28Å |
| 336 | P | 66.8 | Low | 66.5 | Low | 87 Ų | 87 | 113.2 Ų | 113.2 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -50.9 | -42.7 | -171.1 | -32 | 36.5 | 0 | 0 | 0 | 115 | Q338 A339 E340 | P336-Q338 PolarHBondContact O-N 3.43Å; P336-A339 PolarHBondContact O-N 3.42Å; P336-E340 WeakPolarHBondContact O-CG 3.28Å; P336-E340 PolarHBondContact O-N 3.16Å |
| 337 | A | 74.6 | Confident | 68.9 | Low | 64 Ų | 64 | 110.5 Ų | 110.5 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.1 | -30 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P335 M341 | P335-A337 VanDerWaalsContact C-N 3.3Å; P335-A337 PolarHBondContact O-N 3.21Å; P335-A337 VanDerWaalsContact O-N 3.1Å; A337-M341 WeakPolarHBondContact O-CG 3.4Å; A337-M341 PolarHBondContact O-N 3.09Å; A337-M341 VanDerWaalsContact O-N 3.12Å |
| 338 | Q | 75.2 | Confident | 71.5 | Confident | 104 Ų | 104 | 106.8 Ų | 106.8 | 49% | 0.486 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -80.9 | -35.1 | 178.3 | -157 | 169.6 | 20.3 | 0 | 0 | 111.5 | L334 P335 P336 M341 F342 | L334-Q338 HydrophobicContact CD2-CG 4.26Å; P335-Q338 WeakPolarHBondContact O-CA 3.38Å; P335-Q338 WeakPolarHBondContact O-CB 3.45Å; P335-Q338 PolarHBondContact O-N 2.9Å; P336-Q338 PolarHBondContact O-N 3.43Å; Q338-M341 HydrophobicContact CG-CE 4.45Å; Q338-M341 PolarHBondContact O-N 3.3Å; Q338-F342 PolarHBondContact O-N 2.92Å; Q338-F342 VanDerWaalsContact O-N 3.1Å |
| 339 | A | 78.6 | Confident | 74.2 | Confident | 46 Ų | 46 | 106.2 Ų | 106.2 | 38% | 0.38 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.5 | -39.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P335 P336 F342 A343 | P335-A339 PolarHBondContact O-N 3.28Å; P336-A339 PolarHBondContact O-N 3.42Å; A339-F342 PolarHBondContact O-N 3.03Å; A339-A343 WeakPolarHBondContact O-CB 3.3Å; A339-A343 PolarHBondContact O-N 3.47Å |
| 340 | E | 82 | Confident | 76.2 | Confident | 124 Ų | 124 | 105.8 Ų | 105.8 | 58% | 0.579 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.1 | -44.9 | 173.8 | -76.6 | 174.9 | -152.9 | 0 | 0 | 112.1 | P336 F342 A343 W344 | P336-E340 WeakPolarHBondContact O-CG 3.28Å; P336-E340 PolarHBondContact O-N 3.16Å; E340-F342 PolarHBondContact O-N 3.37Å; E340-A343 PolarHBondContact O-N 3.21Å; E340-W344 VanDerWaalsContact O-CD1 3.31Å; E340-W344 PolarHBondContact O-N 3.14Å |
| 341 | M | 80.4 | Confident | 78.3 | Confident | 126 Ų | 126 | 107 Ų | 107 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.7 | -41 | 175.2 | -75.1 | -173.6 | -67.6 | 0 | 0 | 112.3 | A337 Q338 W344 Q345 | A337-M341 WeakPolarHBondContact O-CG 3.4Å; A337-M341 PolarHBondContact O-N 3.09Å; A337-M341 VanDerWaalsContact O-N 3.12Å; Q338-M341 HydrophobicContact CG-CE 4.45Å; Q338-M341 PolarHBondContact O-N 3.3Å; M341-W344 PolarHBondContact O-N 3.46Å; M341-Q345 WeakPolarHBondContact O-CB 3.27Å; M341-Q345 PolarHBondContact O-N 3.41Å |
| 342 | F | 85.2 | Confident | 80.4 | Confident | 113 Ų | 113 | 102.6 Ų | 102.6 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 175.3 | -173.8 | -101 | 0 | 0 | 0 | 112.2 | Q338 A339 E340 W344 Q345 Q346 | Q338-F342 PolarHBondContact O-N 2.92Å; Q338-F342 VanDerWaalsContact O-N 3.1Å; A339-F342 PolarHBondContact O-N 3.03Å; E340-F342 PolarHBondContact O-N 3.37Å; F342-W344 VanDerWaalsContact C-N 3.35Å; F342-W344 PolarHBondContact O-N 3.4Å; F342-Q345 WeakPolarHBondContact O-CB 3.4Å; F342-Q345 PolarHBondContact O-N 3.45Å; F342-Q346 HydrophobicContact CD1-CG 4.15Å; F342-Q346 HydrophobicContact CE1-CG 3.81Å; F342-Q346 HydrophobicContact CZ-CG 4.13Å; F342-Q346 VanDerWaalsContact CZ-NE2 3.26Å; F342-Q346 WeakPolarHBondContact O-CG 3.39Å; F342-Q346 PolarHBondContact O-N 2.83Å |
| 343 | A | 88.9 | Confident | 82 | Confident | 58 Ų | 58 | 102.7 Ų | 102.7 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A339 E340 Q346 E347 | A339-A343 WeakPolarHBondContact O-CB 3.3Å; A339-A343 PolarHBondContact O-N 3.47Å; E340-A343 PolarHBondContact O-N 3.21Å; A343-Q346 PolarHBondContact O-N 2.59Å; A343-E347 WeakPolarHBondContact O-CB 3.33Å; A343-E347 PolarHBondContact O-N 2.84Å |
| 344 | W | 91.3 | Very high | 83.3 | Confident | 181 Ų | 181 | 97.3 Ų | 97.3 | 69% | 0.686 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -40 | 172 | -90.9 | 105.5 | 0 | 0 | 0 | 112.8 | E340 M341 F342 E347 L348 | E340-W344 VanDerWaalsContact O-CD1 3.31Å; E340-W344 PolarHBondContact O-N 3.14Å; M341-W344 PolarHBondContact O-N 3.46Å; F342-W344 VanDerWaalsContact C-N 3.35Å; F342-W344 PolarHBondContact O-N 3.4Å; W344-E347 PolarHBondContact O-N 3.09Å; W344-L348 VanDerWaalsContact O-CB 3.32Å; W344-L348 WeakPolarHBondContact O-CB 3.47Å; W344-L348 PolarHBondContact O-N 2.77Å |
| 345 | Q | 92.3 | Very high | 84.1 | Confident | 131 Ų | 131 | 95.4 Ų | 95.4 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 175.9 | -175.1 | 176.8 | -14.8 | 0 | 0 | 111.7 | M341 F342 L348 L349 | M341-Q345 WeakPolarHBondContact O-CB 3.27Å; M341-Q345 PolarHBondContact O-N 3.41Å; F342-Q345 WeakPolarHBondContact O-CB 3.4Å; F342-Q345 PolarHBondContact O-N 3.45Å; Q345-L348 PolarHBondContact O-N 3.02Å; Q345-L349 WeakPolarHBondContact O-CB 3.49Å; Q345-L349 PolarHBondContact O-N 2.82Å |
| 346 | Q | 90.9 | Very high | 84.1 | Confident | 92 Ų | 92 | 100.4 Ų | 100.4 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 174.1 | -69.4 | -63.7 | -27.1 | 0 | 0 | 112 | F342 A343 L348 L349 R350 | F342-Q346 HydrophobicContact CD1-CG 4.15Å; F342-Q346 HydrophobicContact CE1-CG 3.81Å; F342-Q346 HydrophobicContact CZ-CG 4.13Å; F342-Q346 VanDerWaalsContact CZ-NE2 3.26Å; F342-Q346 WeakPolarHBondContact O-CG 3.39Å; F342-Q346 PolarHBondContact O-N 2.83Å; A343-Q346 PolarHBondContact O-N 2.59Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L348 PolarHBondContact O-N 3.14Å; Q346-L349 PolarHBondContact O-N 3.37Å; Q346-R350 WeakPolarHBondContact O-CB 3.48Å; Q346-R350 PolarHBondContact O-N 3.45Å |
| 347 | E | 91.8 | Very high | 84.3 | Confident | 56 Ų | 56 | 102 Ų | 102 | 26% | 0.262 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -33.5 | 177.4 | 174.7 | 58.1 | -168.8 | 0 | 0 | 112.6 | A343 W344 R350 K351 | A343-E347 WeakPolarHBondContact O-CB 3.33Å; A343-E347 PolarHBondContact O-N 2.84Å; W344-E347 PolarHBondContact O-N 3.09Å; E347-R350 VanDerWaalsContact CD-NH2 3.31Å; E347-R350 IonicContact OE1-CZ 3.55Å; E347-R350 IonicContact OE1-NE 2.65Å; E347-R350 IonicContact OE1-NH2 3.82Å; E347-R350 PolarHBondContact OE1-NH2 2.66Å; E347-R350 IonicContact OE2-CZ 2.99Å; E347-R350 VanDerWaalsContact OE2-CZ 3.29Å; E347-R350 IonicContact OE2-NE 2.73Å; E347-R350 PolarHBondContact OE2-NE 3.48Å; E347-R350 IonicContact OE2-NH2 3.93Å; E347-R350 PolarHBondContact OE2-NH2 2.87Å; E347-K351 HydrophobicContact CG-CD 4.44Å; E347-K351 WeakPolarHBondContact O-CB 3.34Å; E347-K351 WeakPolarHBondContact O-CG 3.46Å; E347-K351 PolarHBondContact O-N 3.38Å; E347-K351 WeakPolarHBondContact OE1-CE 3.49Å; E347-K351 IonicContact OE1-NZ 3.48Å; E347-K351 PolarHBondContact OE1-NZ 2.85Å |
| 348 | L | 95.1 | Very high | 84 | Confident | 119 Ų | 119 | 103.8 Ų | 103.8 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.5 | -43.2 | 173.4 | -175.7 | 62.7 | 0 | 0 | 0 | 111.5 | W344 Q345 Q346 R350 K351 Q352 | W344-L348 VanDerWaalsContact O-CB 3.32Å; W344-L348 WeakPolarHBondContact O-CB 3.47Å; W344-L348 PolarHBondContact O-N 2.77Å; Q345-L348 PolarHBondContact O-N 3.02Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L348 PolarHBondContact O-N 3.14Å; L348-R350 VanDerWaalsContact C-N 3.35Å; L348-K351 PolarHBondContact O-N 3.37Å; L348-Q352 PolarHBondContact O-N 3.38Å |
| 349 | L | 93.2 | Very high | 83.6 | Confident | 83 Ų | 83 | 105 Ų | 105 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 174.7 | -176.9 | 61.8 | 0 | 0 | 0 | 111.7 | Q345 Q346 Q352 N353 | Q345-L349 WeakPolarHBondContact O-CB 3.49Å; Q345-L349 PolarHBondContact O-N 2.82Å; Q346-L349 PolarHBondContact O-N 3.37Å; L349-Q352 PolarHBondContact O-N 3.31Å; L349-N353 PolarHBondContact O-N 3.34Å; L349-N353 PolarHBondContact O-ND2 3.46Å |
| 350 | R | 90.6 | Very high | 83 | Confident | 132 Ų | 132 | 105.9 Ų | 105.9 | 50% | 0.498 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 173.6 | -166.1 | -171.6 | 68.3 | 77.8 | 5 | 111.4 | Q346 E347 L348 N353 L354 | Q346-R350 WeakPolarHBondContact O-CB 3.48Å; Q346-R350 PolarHBondContact O-N 3.45Å; E347-R350 VanDerWaalsContact CD-NH2 3.31Å; E347-R350 IonicContact OE1-CZ 3.55Å; E347-R350 IonicContact OE1-NE 2.65Å; E347-R350 IonicContact OE1-NH2 3.82Å; E347-R350 PolarHBondContact OE1-NH2 2.66Å; E347-R350 IonicContact OE2-CZ 2.99Å; E347-R350 VanDerWaalsContact OE2-CZ 3.29Å; E347-R350 IonicContact OE2-NE 2.73Å; E347-R350 PolarHBondContact OE2-NE 3.48Å; E347-R350 IonicContact OE2-NH2 3.93Å; E347-R350 PolarHBondContact OE2-NH2 2.87Å; L348-R350 VanDerWaalsContact C-N 3.35Å; R350-N353 PolarHBondContact O-N 2.93Å; R350-L354 WeakPolarHBondContact O-CB 3.36Å; R350-L354 PolarHBondContact O-N 3.08Å |
| 351 | K | 89.8 | Confident | 82.3 | Confident | 100 Ų | 100 | 102.4 Ų | 102.4 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 175.1 | -80.5 | 169.8 | 165.2 | 125.8 | 0 | 113 | E347 L348 N353 L354 A355 | E347-K351 HydrophobicContact CG-CD 4.44Å; E347-K351 WeakPolarHBondContact O-CB 3.34Å; E347-K351 WeakPolarHBondContact O-CG 3.46Å; E347-K351 PolarHBondContact O-N 3.38Å; E347-K351 WeakPolarHBondContact OE1-CE 3.49Å; E347-K351 IonicContact OE1-NZ 3.48Å; E347-K351 PolarHBondContact OE1-NZ 2.85Å; L348-K351 PolarHBondContact O-N 3.37Å; K351-N353 VanDerWaalsContact C-N 3.34Å; K351-N353 PolarHBondContact O-N 2.73Å; K351-L354 PolarHBondContact O-N 3Å; K351-A355 PolarHBondContact O-N 3.41Å |
| 352 | Q | 88.3 | Confident | 81.7 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -43 | 175.7 | -173.9 | -175.5 | 68 | 0 | 0 | 111.4 | L348 L349 R356 | L348-Q352 PolarHBondContact O-N 3.38Å; L349-Q352 PolarHBondContact O-N 3.31Å; Q352-R356 WeakPolarHBondContact O-CG 3.45Å; Q352-R356 PolarHBondContact O-N 2.85Å |
| 353 | N | 83.1 | Confident | 81.1 | Confident | 64 Ų | 64 | 101.4 Ų | 101.4 | 34% | 0.342 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.1 | -34.8 | 176.3 | -73.6 | -59.9 | 0 | 0 | 0 | 112.7 | L349 R350 K351 R356 L357 | L349-N353 PolarHBondContact O-N 3.34Å; L349-N353 PolarHBondContact O-ND2 3.46Å; R350-N353 PolarHBondContact O-N 2.93Å; K351-N353 VanDerWaalsContact C-N 3.34Å; K351-N353 PolarHBondContact O-N 2.73Å; N353-R356 PolarHBondContact O-N 3.14Å; N353-L357 WeakPolarHBondContact O-CG 3.36Å; N353-L357 PolarHBondContact O-N 2.65Å |
| 354 | L | 83.1 | Confident | 80.2 | Confident | 74 Ų | 74 | 104 Ų | 104 | 39% | 0.387 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 173.4 | -176.2 | 63.2 | 0 | 0 | 0 | 111.6 | R350 K351 R356 L357 E358 | R350-L354 WeakPolarHBondContact O-CB 3.36Å; R350-L354 PolarHBondContact O-N 3.08Å; K351-L354 PolarHBondContact O-N 3Å; L354-R356 PolarHBondContact O-N 3.28Å; L354-L357 CarbonylContact O-C 3.54Å; L354-L357 WeakPolarHBondContact O-CA 3.41Å; L354-L357 WeakPolarHBondContact O-CB 3.49Å; L354-L357 PolarHBondContact O-N 3.43Å; L354-E358 HydrophobicContact CD1-CG 4.43Å; L354-E358 HydrophobicContact CG-CG 4.3Å; L354-E358 WeakPolarHBondContact O-CG 3.28Å; L354-E358 PolarHBondContact O-N 2.76Å |
| 355 | A | 73.3 | Confident | 79.4 | Confident | 53 Ų | 53 | 103.6 Ų | 103.6 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -29.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K351 L357 L359 | K351-A355 PolarHBondContact O-N 3.41Å; A355-L357 VanDerWaalsContact C-N 3.28Å; A355-L357 PolarHBondContact O-N 3.1Å; A355-L359 PolarHBondContact O-N 2.8Å |
| 356 | R | 71 | Confident | 78.6 | Confident | 179 Ų | 179 | 103.2 Ų | 103.2 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.5 | -15.6 | 172.2 | -70.6 | 178 | 72.2 | -147.2 | 3.1 | 113.9 | Q352 N353 L354 P360 | Q352-R356 WeakPolarHBondContact O-CG 3.45Å; Q352-R356 PolarHBondContact O-N 2.85Å; N353-R356 PolarHBondContact O-N 3.14Å; L354-R356 PolarHBondContact O-N 3.28Å; R356-P360 WeakPolarHBondContact O-CD 3.5Å; R356-P360 WeakPolarHBondContact O-CG 3.5Å |
| 357 | L | 72.1 | Confident | 77.9 | Confident | 122 Ų | 122 | 105.8 Ų | 105.8 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -103.1 | -23.4 | 177.3 | -66.3 | 170.4 | 0 | 0 | 0 | 112.7 | N353 L354 A355 P360 A361 | N353-L357 WeakPolarHBondContact O-CG 3.36Å; N353-L357 PolarHBondContact O-N 2.65Å; L354-L357 CarbonylContact O-C 3.54Å; L354-L357 WeakPolarHBondContact O-CA 3.41Å; L354-L357 WeakPolarHBondContact O-CB 3.49Å; L354-L357 PolarHBondContact O-N 3.43Å; A355-L357 VanDerWaalsContact C-N 3.28Å; A355-L357 PolarHBondContact O-N 3.1Å; L357-P360 WeakPolarHBondContact O-CD 3.47Å; L357-A361 WeakPolarHBondContact O-CB 3.38Å; L357-A361 PolarHBondContact O-N 2.87Å |
| 358 | E | 68.8 | Low | 77 | Confident | 100 Ų | 100 | 109.2 Ų | 109.2 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 171.7 | -72.1 | 168.3 | 160.7 | 0 | 0 | 111.3 | L354 A361 D362 | L354-E358 HydrophobicContact CD1-CG 4.43Å; L354-E358 HydrophobicContact CG-CG 4.3Å; L354-E358 WeakPolarHBondContact O-CG 3.28Å; L354-E358 PolarHBondContact O-N 2.76Å; E358-A361 WeakPolarHBondContact O-CB 3.43Å; E358-A361 PolarHBondContact O-N 3.27Å; E358-D362 PolarHBondContact O-N 3.18Å |
| 359 | L | 66.3 | Low | 75.8 | Confident | 129 Ų | 129 | 109.6 Ų | 109.6 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59 | -43.5 | -178.6 | -159.8 | 82.9 | 0 | 0 | 0 | 113.8 | A355 L363 | A355-L359 PolarHBondContact O-N 2.8Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 PolarHBondContact O-N 3Å |
| 360 | P | 66.8 | Low | 74.5 | Confident | 66 Ų | 66 | 111.3 Ų | 111.3 | 43% | 0.429 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.7 | -33.2 | 171.6 | -22.3 | 34.9 | 0 | 0 | 0 | 113.9 | R356 L357 L363 L364 | R356-P360 WeakPolarHBondContact O-CD 3.5Å; R356-P360 WeakPolarHBondContact O-CG 3.5Å; L357-P360 WeakPolarHBondContact O-CD 3.47Å; P360-L363 PolarHBondContact O-N 2.83Å; P360-L364 WeakPolarHBondContact O-CB 3.08Å; P360-L364 WeakPolarHBondContact O-CG 3.43Å; P360-L364 PolarHBondContact O-N 3.16Å |
| 361 | A | 66.1 | Low | 72.9 | Confident | 51 Ų | 51 | 109.7 Ų | 109.7 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.9 | -42.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L357 E358 L363 L364 R365 | L357-A361 WeakPolarHBondContact O-CB 3.38Å; L357-A361 PolarHBondContact O-N 2.87Å; E358-A361 WeakPolarHBondContact O-CB 3.43Å; E358-A361 PolarHBondContact O-N 3.27Å; A361-L363 VanDerWaalsContact C-N 3.34Å; A361-L364 PolarHBondContact O-N 3.2Å; A361-R365 PolarHBondContact O-N 3.04Å |
| 362 | D | 68.9 | Low | 71.3 | Confident | 101 Ų | 101 | 108.5 Ų | 108.5 | 54% | 0.54 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.7 | -36.9 | 173.2 | -80 | -31.4 | 0 | 0 | 0 | 111.8 | E358 R365 Q366 | E358-D362 PolarHBondContact O-N 3.18Å; D362-R365 PolarHBondContact O-N 3.04Å; D362-Q366 WeakPolarHBondContact O-CB 3.21Å; D362-Q366 PolarHBondContact O-N 3.3Å |
| 363 | L | 71.4 | Confident | 69.5 | Low | 116 Ų | 116 | 111.4 Ų | 111.4 | 61% | 0.607 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.5 | -36.2 | 177.3 | -152.5 | 157.5 | 0 | 0 | 0 | 111.7 | L359 P360 A361 K367 | L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 PolarHBondContact O-N 3Å; P360-L363 PolarHBondContact O-N 2.83Å; A361-L363 VanDerWaalsContact C-N 3.34Å; L363-K367 WeakPolarHBondContact O-CB 3.27Å; L363-K367 PolarHBondContact O-N 3.33Å |
| 364 | L | 70.4 | Confident | 67.8 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 59% | 0.586 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64 | -48.2 | 168.7 | -75.7 | 167.9 | 0 | 0 | 0 | 111.7 | P360 A361 Q366 K367 E368 | P360-L364 WeakPolarHBondContact O-CB 3.08Å; P360-L364 WeakPolarHBondContact O-CG 3.43Å; P360-L364 PolarHBondContact O-N 3.16Å; A361-L364 PolarHBondContact O-N 3.2Å; L364-Q366 VanDerWaalsContact C-N 3.3Å; L364-Q366 PolarHBondContact O-N 3.19Å; L364-K367 WeakPolarHBondContact O-CB 3.44Å; L364-K367 PolarHBondContact O-N 3.5Å; L364-K367 VanDerWaalsContact O-N 3.13Å; L364-E368 PolarHBondContact O-N 2.98Å |
| 365 | R | 74.9 | Confident | 66.1 | Low | 173 Ų | 173 | 120 Ų | 120 | 65% | 0.653 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.1 | -37.6 | 176.1 | -104.2 | -166.2 | 69.3 | -173.8 | -0.2 | 113.1 | A361 D362 L369 | A361-R365 PolarHBondContact O-N 3.04Å; D362-R365 PolarHBondContact O-N 3.04Å; R365-L369 WeakPolarHBondContact O-CB 3.45Å; R365-L369 PolarHBondContact O-N 3.03Å |
| 366 | Q | 74.6 | Confident | 64.7 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 58% | 0.575 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68 | -41.4 | 175.5 | -174.9 | 177.6 | -44.5 | 0 | 0 | 110.9 | D362 L364 L369 E370 | D362-Q366 WeakPolarHBondContact O-CB 3.21Å; D362-Q366 PolarHBondContact O-N 3.3Å; L364-Q366 VanDerWaalsContact C-N 3.3Å; L364-Q366 PolarHBondContact O-N 3.19Å; Q366-L369 WeakPolarHBondContact O-CB 3.48Å; Q366-L369 PolarHBondContact O-N 3.17Å; Q366-E370 PolarHBondContact O-N 3.2Å |
| 367 | K | 76.9 | Confident | 63.1 | Low | 146 Ų | 146 | 125 Ų | 125 | 64% | 0.635 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.9 | -39.3 | 175.3 | -175.2 | 177 | 178.1 | -178.7 | 0 | 112.4 | L363 L364 E370 S371 | L363-K367 WeakPolarHBondContact O-CB 3.27Å; L363-K367 PolarHBondContact O-N 3.33Å; L364-K367 WeakPolarHBondContact O-CB 3.44Å; L364-K367 PolarHBondContact O-N 3.5Å; L364-K367 VanDerWaalsContact O-N 3.13Å; K367-E370 PolarHBondContact O-N 3.11Å; K367-S371 WeakPolarHBondContact O-CB 3.38Å; K367-S371 PolarHBondContact O-N 3.09Å; K367-S371 PolarHBondContact O-OG 2.82Å |
| 368 | E | 73.3 | Confident | 61.1 | Low | 129 Ų | 129 | 123 Ų | 123 | 60% | 0.603 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -60.7 | -47.2 | 170.8 | -73.1 | -176 | 144.3 | 0 | 0 | 110.9 | L364 E370 S371 A372 | L364-E368 PolarHBondContact O-N 2.98Å; E368-E370 VanDerWaalsContact C-N 3.33Å; E368-E370 PolarHBondContact O-N 2.63Å; E368-S371 WeakPolarHBondContact CA-OG 3.48Å; E368-S371 PolarHBondContact O-N 3.17Å; E368-S371 VanDerWaalsContact O-N 3.15Å; E368-S371 PolarHBondContact O-OG 3.1Å; E368-A372 WeakPolarHBondContact O-CB 2.98Å; E368-A372 PolarHBondContact O-N 2.9Å |
| 369 | L | 69.1 | Low | 59.8 | Low | 127 Ų | 127 | 124 Ų | 124 | 67% | 0.665 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.5 | -36.2 | 178.9 | -158.1 | 80.3 | 0 | 0 | 0 | 113 | R365 Q366 | R365-L369 WeakPolarHBondContact O-CB 3.45Å; R365-L369 PolarHBondContact O-N 3.03Å; Q366-L369 WeakPolarHBondContact O-CB 3.48Å; Q366-L369 PolarHBondContact O-N 3.17Å |
| 370 | E | 65.3 | Low | 58.2 | Low | 119 Ų | 119 | 126.9 Ų | 126.9 | 56% | 0.556 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71.1 | -40.5 | 171.8 | -81.4 | -171.4 | 107.7 | 0 | 0 | 112.3 | Q366 K367 E368 A372 R373 | Q366-E370 PolarHBondContact O-N 3.2Å; K367-E370 PolarHBondContact O-N 3.11Å; E368-E370 VanDerWaalsContact C-N 3.33Å; E368-E370 PolarHBondContact O-N 2.63Å; E370-A372 PolarHBondContact O-N 3.36Å; E370-R373 WeakPolarHBondContact O-CB 3.04Å; E370-R373 PolarHBondContact O-N 2.85Å; E370-R373 VanDerWaalsContact O-N 3.11Å |
| 371 | S | 58 | Low | 56.4 | Low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64.3 | -25.2 | 175.5 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | K367 E368 R373 | K367-S371 WeakPolarHBondContact O-CB 3.38Å; K367-S371 PolarHBondContact O-N 3.09Å; K367-S371 PolarHBondContact O-OG 2.82Å; E368-S371 WeakPolarHBondContact CA-OG 3.48Å; E368-S371 PolarHBondContact O-N 3.17Å; E368-S371 VanDerWaalsContact O-N 3.15Å; E368-S371 PolarHBondContact O-OG 3.1Å; S371-R373 VanDerWaalsContact C-N 3.32Å |
| 372 | A | 55 | Low | 54.8 | Low | 75 Ų | 75 | 131.3 Ų | 131.3 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -1.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | E368 E370 P374 | E368-A372 WeakPolarHBondContact O-CB 2.98Å; E368-A372 PolarHBondContact O-N 2.9Å; E370-A372 PolarHBondContact O-N 3.36Å; A372-P374 WeakPolarHBondContact O-CD 3.31Å |
| 373 | R | 50.8 | Low | 53.1 | Low | 183 Ų | 183 | 134.6 Ų | 134.6 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -81.1 | 120.8 | 172 | -69.2 | -179.8 | 66.6 | 175.9 | -0.4 | 110.2 | E370 S371 Q375 | E370-R373 WeakPolarHBondContact O-CB 3.04Å; E370-R373 PolarHBondContact O-N 2.85Å; E370-R373 VanDerWaalsContact O-N 3.11Å; S371-R373 VanDerWaalsContact C-N 3.32Å; R373-Q375 PolarHBondContact O-N 3.24Å |
| 374 | P | 47.8 | Very low | 51.4 | Low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | | | trans | -59.8 | 134.2 | 173.6 | -23.7 | 34.8 | 0 | 0 | 0 | 111.7 | A372 L376 | A372-P374 WeakPolarHBondContact O-CD 3.31Å; P374-L376 VanDerWaalsContact C-N 3.31Å; P374-L376 PolarHBondContact O-N 3.42Å |
| 375 | Q | 46.8 | Very low | 50.1 | Low | 197 Ų | 197 | 139.7 Ų | 139.7 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | | | trans | -75.2 | 78.9 | 178.8 | -65.6 | -179.4 | 9.9 | 0 | 0 | 111.2 | R373 L377 | R373-Q375 PolarHBondContact O-N 3.24Å; Q375-L377 VanDerWaalsContact C-N 3.32Å; Q375-L377 PolarHBondContact O-N 2.96Å; Q375-L377 VanDerWaalsContact O-N 3.08Å |
| 376 | L | 44.7 | Very low | 48.1 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 88% | 0.88 | 74% | 0.736 | S | S | * | * | | | trans | -77.4 | 82.7 | 165.6 | -98.2 | 173.1 | 0 | 0 | 0 | 110.3 | P374 | P374-L376 VanDerWaalsContact C-N 3.31Å; P374-L376 PolarHBondContact O-N 3.42Å |
| 377 | L | 36.5 | Very low | 46 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | | | trans | -167.4 | 94.9 | 156.9 | -108.6 | 163.9 | 0 | 0 | 0 | 110.5 | Q375 | Q375-L377 VanDerWaalsContact C-N 3.32Å; Q375-L377 PolarHBondContact O-N 2.96Å; Q375-L377 VanDerWaalsContact O-N 3.08Å |
| 378 | A | 30.9 | Very low | 43.8 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | trans | -96.1 | 143.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | E380 | A378-E380 PolarHBondContact O-N 3.16Š|
| 379 | P | 42 | Very low | 41.8 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | -87.9 | 90.2 | -175.8 | 34 | -34.4 | 0 | 0 | 0 | 112.8 | | |
| 380 | E | 31.5 | Very low | 40.2 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | | | trans | -77.7 | 127.6 | 170.4 | -78.5 | -73.1 | 95.6 | 0 | 0 | 111.2 | A378 | A378-E380 PolarHBondContact O-N 3.16Š|
| 381 | T | 30.1 | Very low | 38.8 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -118 | 121.3 | -173 | -49.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 382 | A | 31.7 | Very low | 37.9 | Very low | 82 Ų | 82 | 139.9 Ų | 139.9 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | 63.3 | 104.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 383 | L | 32.3 | Very low | 36.8 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | | -136.3 | 168.1 | 118.8 | -76 | -173.3 | 0 | 0 | 0 | 110 | | |
| 384 | R | 35.9 | Very low | 36.3 | Very low | 231 Ų | 231 | 143.8 Ų | 143.8 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | trans | -139.5 | 177 | -171.4 | -70 | -89.7 | 87.3 | 167.3 | 4 | 108.8 | | |
| 385 | P | 43.8 | Very low | 36 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | | | cis | -134.3 | -173.5 | 2.4 | 39.7 | -20.5 | 0 | 0 | 0 | 115.9 | | |
| 386 | N | 32.2 | Very low | 35.2 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | 65.5 | 156.6 | 161.4 | -76.5 | 35.3 | 0 | 0 | 0 | 119.2 | | |
| 387 | D | 31.5 | Very low | 34.8 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | cis | -146.9 | 154.3 | 3.2 | -135.3 | -42.4 | 0 | 0 | 0 | 114 | | |
| 388 | G | 29.5 | Very low | 35 | Very low | 67 Ų | 67 | 139.5 Ų | 139.5 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | 54.7 | 175.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 389 | A | 32.7 | Very low | 35.5 | Very low | 83 Ų | 83 | 144 Ų | 144 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | | | cis | -175.3 | 132.6 | -36.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 390 | E | 35.6 | Very low | 35.2 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | 59.5 | 149.7 | 164.9 | -59.2 | 169.8 | 129.4 | 0 | 0 | 116.2 | | |
| 391 | E | 34.8 | Very low | 35.4 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | cis | -148.9 | 162.2 | 25 | 165.3 | 54.8 | 174.1 | 0 | 0 | 111.1 | | |
| 392 | L | 39.3 | Very low | 35.4 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | | | trans | -92.7 | 165.7 | -175.3 | -152.8 | 77.4 | 0 | 0 | 0 | 114 | | |
| 393 | Q | 32.2 | Very low | 35.7 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | | | trans | 72.5 | 110.8 | 141.3 | -159.1 | 83.9 | -93.7 | 0 | 0 | 119.7 | | |
| 394 | R | 39.8 | Very low | 35.7 | Very low | 209 Ų | 209 | 141.7 Ų | 141.7 | 79% | 0.789 | 77% | 0.773 | S | S | * | * | | | | -179.7 | 119.6 | 114.5 | -95 | 152.9 | -143.9 | -100.7 | 0.8 | 115 | | |
| 395 | R | 41.9 | Very low | 35.5 | Very low | 214 Ų | 214 | 135.7 Ų | 135.7 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | 32.2 | 111.6 | 131 | -53.2 | 173.9 | -176.4 | -178.6 | -1.7 | 116.1 | | |
| 396 | G | 31.2 | Very low | 35 | Very low | 82 Ų | 82 | 135 Ų | 135 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | | 106.7 | 160.1 | 73.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 397 | A | 35.6 | Very low | 35.4 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | cis | -145.4 | 170.4 | 1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 398 | L | 41.2 | Very low | 35.4 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -82.3 | 126.5 | 179.5 | -158.7 | 89.9 | 0 | 0 | 0 | 110.9 | | |
| 399 | L | 41.3 | Very low | 35.4 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | | | trans | -141 | 147.3 | 160.3 | -86.2 | -174.1 | 0 | 0 | 0 | 112.7 | | |
| 400 | V | 34.8 | Very low | 35.1 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | | | trans | -94 | 154.5 | -163.1 | 159.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 401 | L | 35.8 | Very low | 34.7 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | trans | -1.6 | 140.2 | 160.8 | -75.5 | 139.2 | 0 | 0 | 0 | 118.5 | | |
| 402 | N | 30.6 | Very low | 35 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | | -154.5 | 163.1 | 119.9 | -118 | -74.3 | 0 | 0 | 0 | 113.8 | | |
| 403 | H | 38.3 | Very low | 34.7 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | | | trans | -109.3 | 152.9 | 177.9 | -57.2 | -91.6 | 0 | 0 | 0 | 110.8 | | |
| 404 | G | 31.6 | Very low | 34.7 | Very low | 75 Ų | 75 | 139.6 Ų | 139.6 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | 136.9 | 148 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 405 | A | 31 | Very low | 34.1 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | 60.9 | 127.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 406 | A | 33.5 | Very low | 34.1 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -86.2 | 161.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 407 | P | 41.6 | Very low | 34.9 | Very low | 131 Ų | 131 | 130 Ų | 130 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | | -133.7 | -174 | 118 | 37.3 | -27.7 | 0 | 0 | 0 | 113.5 | | |
| 408 | L | 31.8 | Very low | 34.5 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -104.6 | 174.9 | -166.6 | -66.1 | 169.9 | 0 | 0 | 0 | 113.9 | | |
| 409 | L | 28.7 | Very low | 34.2 | Very low | 170 Ų | 170 | 127.2 Ų | 127.2 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | 92 | 109.3 | 155.6 | -51.1 | -179.6 | 0 | 0 | 0 | 118.8 | | |
| 410 | A | 26.1 | Very low | 33.7 | Very low | 101 Ų | 101 | 122 Ų | 122 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -158.7 | 133 | 137.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 411 | L | 27.1 | Very low | 34.8 | Very low | 171 Ų | 171 | 122.5 Ų | 122.5 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | | | trans | -144 | 162.3 | 163.1 | -83.2 | 174 | 0 | 0 | 0 | 105.8 | | |
| 412 | P | 41.4 | Very low | 35.5 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | | | cis | -120.4 | -154.8 | -10.2 | 33.7 | -12.3 | 0 | 0 | 0 | 110.6 | | |
| 413 | P | 33.4 | Very low | 35.8 | Very low | 129 Ų | 129 | 121 Ų | 121 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | | -136.5 | 178.1 | 87.1 | 36.7 | -22.3 | 0 | 0 | 0 | 114.8 | | |
| 414 | Q | 31.6 | Very low | 36.1 | Very low | 181 Ų | 181 | 118.5 Ų | 118.5 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -117.4 | 154.9 | -172.6 | -83.9 | -84.4 | 17.5 | 0 | 0 | 112.6 | | |
| 415 | G | 27 | Very low | 35.9 | Very low | 66 Ų | 66 | 120.1 Ų | 120.1 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | | | trans | -171.3 | 111.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 416 | P | 42.3 | Very low | 35.9 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -111 | -164.8 | -176.4 | 45.8 | -37.6 | 0 | 0 | 0 | 111.6 | | |
| 417 | P | 47.9 | Very low | 35.8 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | cis | -138.5 | 163.4 | -1.2 | 41.5 | -23.7 | 0 | 0 | 0 | 118.3 | | |
| 418 | G | 27.8 | Very low | 35.4 | Very low | 74 Ų | 74 | 125.7 Ų | 125.7 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | | 85.2 | 115.7 | 120.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 419 | S | 34.8 | Very low | 35.3 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | | | | -169.6 | 160.6 | 127.5 | 39.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 420 | G | 30.2 | Very low | 35.5 | Very low | 70 Ų | 70 | 124.4 Ų | 124.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | -140.7 | 179 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 421 | P | 57.9 | Low | 35.8 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | trans | -92.9 | -173 | -164.7 | 40.3 | -39.2 | 0 | 0 | 0 | 113.7 | | |
| 422 | P | 51.8 | Low | 36 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | | -149.2 | 171.8 | 96.2 | 40.1 | -23.8 | 0 | 0 | 0 | 116.8 | | |
| 423 | T | 36.4 | Very low | 36.2 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -104.6 | 160 | 159.5 | 57 | 0 | 0 | 0 | 0 | 109.9 | | |
| 424 | P | 43.8 | Very low | 36.1 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | | -158.8 | 160.8 | 107.1 | 39.5 | -20.6 | 0 | 0 | 0 | 119.3 | | |
| 425 | S | 27.7 | Very low | 36.1 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | 76.5 | 139.7 | 135.1 | 72.6 | 0 | 0 | 0 | 0 | 126.5 | | |
| 426 | R | 31.8 | Very low | 36.2 | Very low | 218 Ų | 218 | 134.6 Ų | 134.6 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | | | trans | 86.4 | 109.5 | 134.3 | -94.3 | -159 | 147.1 | 157.8 | -0.6 | 125.4 | | |
| 427 | D | 30.1 | Very low | 35.5 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | | | | 73.8 | 122.2 | 112.1 | -100.7 | -49.8 | 0 | 0 | 0 | 125.5 | | |
| 428 | S | 33.3 | Very low | 35.5 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | | 84.9 | 139.2 | 125.8 | -82 | 0 | 0 | 0 | 0 | 125.3 | | |
| 429 | A | 31 | Very low | 35.6 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 104.6 | 97.6 | 139.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 430 | R | 32.9 | Very low | 36.3 | Very low | 218 Ų | 218 | 132.2 Ų | 132.2 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | | | | 69.7 | 115.6 | 113 | -167.6 | -150.2 | -49.8 | -99.1 | 3.1 | 120.8 | | |
| 431 | R | 32.1 | Very low | 36.2 | Very low | 237 Ų | 237 | 133.4 Ų | 133.4 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | | | | 179.4 | 158.9 | 118.9 | -99.1 | 174.4 | -144.4 | -107.6 | 7.3 | 113.6 | | |
| 432 | A | 31.8 | Very low | 34.9 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -131.2 | 159.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 433 | P | 44.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | | -154.5 | 144.2 | 110.2 | 37.5 | -19.1 | 0 | 0 | 0 | 118.2 | | |
| 434 | R | 32.1 | Very low | 33.7 | Very low | 233 Ų | 233 | 135.8 Ų | 135.8 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | 47.4 | 122.4 | 133.1 | -65.3 | -173.4 | 166.2 | -152.3 | -6 | 123.2 | | |
| 435 | K | 32.1 | Very low | 33.8 | Very low | 209 Ų | 209 | 135.8 Ų | 135.8 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | | 76.7 | 114 | 120 | -170.5 | -169.3 | 179.7 | -170.1 | 0 | 119.7 | | |
| 436 | G | 27.3 | Very low | 34 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | 170.3 | 140.9 | 158 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 437 | G | 28.5 | Very low | 34 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -148.1 | -171.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 438 | P | 47.3 | Very low | 34.1 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | | | cis | -119.3 | -148.3 | 0.9 | 40.3 | -23 | 0 | 0 | 0 | 111.9 | | |
| 439 | G | 30.8 | Very low | 34.1 | Very low | 63 Ų | 63 | 135.7 Ų | 135.7 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | | | trans | -76.8 | -162.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 440 | P | 48.6 | Very low | 34.1 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | | | cis | -148.3 | -165.3 | 27.3 | 44.8 | -24.2 | 0 | 0 | 0 | 117.5 | | |
| 441 | A | 29.1 | Very low | 33.9 | Very low | 95 Ų | 95 | 135 Ų | 135 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | 66.7 | 164.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 442 | S | 29.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | cis | -156.4 | -173.9 | -0.7 | -148.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 443 | A | 28.6 | Very low | 33.5 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | cis | -154.8 | 163.4 | 0.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 444 | R | 34.3 | Very low | 32.8 | Very low | 226 Ų | 226 | 128.1 Ų | 128.1 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | | 47.5 | 155 | 90.3 | -60.1 | -169.3 | 164.2 | -127.2 | -4.9 | 118.2 | | |
| 445 | P | 46.4 | Very low | 32.5 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -115.7 | -168.6 | -4 | 39.9 | -22.5 | 0 | 0 | 0 | 112.3 | | |
| 446 | S | 32.3 | Very low | 32.4 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 57% | 0.573 | 77% | 0.765 | S | S | * | * | | | cis | 86.7 | 144.5 | 10.6 | 119.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 447 | E | 31.2 | Very low | 32.7 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | cis | -165 | 135.5 | 2 | -118.4 | 157.9 | 108.1 | 0 | 0 | 113 | | |
| 448 | S | 32.3 | Very low | 33 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | -167.2 | 138.4 | 163.1 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 449 | K | 33.8 | Very low | 32.2 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | cis | 102.3 | 109.9 | 24.7 | -165.7 | 176.7 | -173.5 | 163.5 | 0 | 111.6 | | |
| 450 | E | 30.1 | Very low | 32.3 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | | | cis | 120.3 | 122.8 | 27.2 | 174.4 | -148.2 | 130.1 | 0 | 0 | 108.7 | | |
| 451 | M | 29.2 | Very low | 31.4 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | | | trans | -173.4 | 106.6 | 147.6 | -167.8 | 55.1 | 49.1 | 0 | 0 | 111.8 | | |
| 452 | T | 27.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | | 37.8 | 140.3 | 126.5 | -49.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 453 | G | 28.5 | Very low | 32.1 | Very low | 74 Ų | 74 | 139.1 Ų | 139.1 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | | | cis | 175.9 | -173.3 | 2.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 454 | A | 28.2 | Very low | 32.4 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | cis | -153 | 160.9 | -6.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 455 | R | 26.7 | Very low | 32.5 | Very low | 222 Ų | 222 | 140.5 Ų | 140.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | | 176.3 | 125.1 | 89.3 | -178.5 | 175.4 | -170.1 | 174.2 | 2.3 | 110.2 | | |
| 456 | L | 30.2 | Very low | 33.3 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | | | trans | 17.8 | 137.1 | 134.8 | -54.6 | 159.4 | 0 | 0 | 0 | 118.3 | | |
| 457 | W | 33.5 | Very low | 34.4 | Very low | 234 Ų | 234 | 140.6 Ų | 140.6 | 89% | 0.886 | 77% | 0.77 | S | S | * | * | | | cis | -144.1 | -175.9 | 32.5 | -76.9 | 89.1 | 0 | 0 | 0 | 114 | | |
| 458 | A | 34.2 | Very low | 34.7 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | trans | -149.3 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 459 | Q | 31.2 | Very low | 34.7 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | | | trans | 79.8 | 159.8 | 175.3 | -55.6 | -175.6 | 126 | 0 | 0 | 117 | | |
| 460 | D | 32.2 | Very low | 35.3 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | cis | -176.1 | 158.3 | -31.5 | -175.4 | 32.9 | 0 | 0 | 0 | 108.6 | | |
| 461 | G | 29.1 | Very low | 35.7 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | 66.6 | -177.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 462 | S | 34.3 | Very low | 36.1 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | cis | -165.4 | 143.1 | -31.5 | -151.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 463 | E | 40.8 | Very low | 36.6 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | | | trans | 12.8 | 127.5 | 155.4 | -57.5 | 165.5 | 134.7 | 0 | 0 | 122.1 | | |
| 464 | D | 33.2 | Very low | 37.1 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | | | | -167.8 | 178.6 | 121.1 | -147.5 | -86 | 0 | 0 | 0 | 110.5 | | |
| 465 | E | 36.8 | Very low | 38.4 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | | | trans | -128.8 | -132.2 | -158.9 | -148.4 | -125.9 | 154.3 | 0 | 0 | 118.3 | | |
| 466 | P | 63.3 | Low | 38.9 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 57% | 0.565 | 77% | 0.769 | S | S | * | * | | | trans | -121.5 | -151.5 | -130.9 | 51.1 | -37.3 | 0 | 0 | 0 | 113.6 | | |
| 467 | P | 55.7 | Low | 39 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | cis | -133.1 | -177 | -15.2 | 41.1 | -24.6 | 0 | 0 | 0 | 114.9 | | |
| 468 | K | 36.7 | Very low | 39 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | | -179.4 | 131.3 | 115.8 | -98.9 | -162.6 | 163.8 | -68.4 | 0 | 116.7 | | |
| 469 | D | 32.5 | Very low | 39.1 | Very low | 104 Ų | 104 | 134 Ų | 134 | 56% | 0.556 | 78% | 0.778 | S | S | * | * | | | trans | 41.9 | 119.1 | 139 | -42.3 | -3.1 | 0 | 0 | 0 | 122.4 | | |
| 470 | S | 47.1 | Very low | 39 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | | | trans | -167.2 | 103 | 134.9 | -77.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 471 | D | 39.3 | Very low | 38.7 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -89.1 | 164.3 | -170.6 | -53.6 | -83 | 0 | 0 | 0 | 114.8 | | |
| 472 | G | 37.9 | Very low | 38.8 | Very low | 68 Ų | 68 | 130.4 Ų | 130.4 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -91 | -155.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 473 | E | 37.6 | Very low | 38.4 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | cis | -143.8 | -151 | -2 | -67.3 | -173.6 | 80.1 | 0 | 0 | 108.6 | | |
| 474 | D | 38.8 | Very low | 37.7 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -59.8 | 158.9 | 171.7 | -154.4 | -73.1 | 0 | 0 | 0 | 112.9 | E476 | D474-E476 PolarHBondContact OD1-N 3.35Å; D474-E476 VanDerWaalsContact OD1-N 3.12Å |
| 475 | P | 55.6 | Low | 38.1 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | | -148.8 | 133.5 | 122.6 | 35.1 | -18.5 | 0 | 0 | 0 | 117.7 | | |
| 476 | E | 36.6 | Very low | 37.9 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | trans | -79 | 129.4 | 150.2 | -172.8 | -165.4 | 123.1 | 0 | 0 | 110.9 | D474 | D474-E476 PolarHBondContact OD1-N 3.35Å; D474-E476 VanDerWaalsContact OD1-N 3.12Å |
| 477 | T | 32.5 | Very low | 37 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | trans | -162.9 | 167.9 | 157.9 | 21.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 478 | A | 33.6 | Very low | 35.6 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -126.6 | 147.8 | -161.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 479 | A | 35.6 | Very low | 35.2 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | 85.8 | 154.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 480 | V | 30.9 | Very low | 34.9 | Very low | 146 Ų | 146 | 130 Ų | 130 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | | | trans | 89.3 | 116.3 | 165.1 | -170.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 481 | G | 25.7 | Very low | 35.1 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | 177.7 | 134.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 482 | C | 29.6 | Very low | 34.7 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -130.1 | 132.4 | -160.4 | -58.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 483 | R | 27.4 | Very low | 34.1 | Very low | 260 Ų | 260 | 127.7 Ų | 127.7 | 98% | 0.981 | 82% | 0.817 | S | S | * | * | | | trans | -166.9 | 143.1 | 137.9 | -114 | 174.3 | -177.9 | -104.7 | 0 | 112.3 | | |
| 484 | G | 25.1 | Very low | 33.6 | Very low | 71 Ų | 71 | 122.4 Ų | 122.4 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | | | trans | -102.5 | -154.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 485 | P | 42.4 | Very low | 33.2 | Very low | 132 Ų | 132 | 120.8 Ų | 120.8 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | | | cis | -129.8 | -175.1 | 39.6 | 40.2 | -24.5 | 0 | 0 | 0 | 117.2 | | |
| 486 | T | 32.2 | Very low | 31.9 | Very low | 132 Ų | 132 | 119 Ų | 119 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | | | trans | -94.9 | -171.5 | -173.6 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 487 | P | 43.5 | Very low | 31.9 | Very low | 128 Ų | 128 | 114.9 Ų | 114.9 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | | | cis | -134.7 | 176.5 | 4.4 | 43 | -25.3 | 0 | 0 | 0 | 117.2 | | |
| 488 | G | 26.6 | Very low | 31.8 | Very low | 74 Ų | 74 | 116 Ų | 116 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | | | trans | -173.2 | 33.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 489 | Q | 29.6 | Very low | 31.6 | Very low | 199 Ų | 199 | 115 Ų | 115 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | | | trans | 67.2 | 152.4 | 156.9 | -158.5 | 162.7 | 19.2 | 0 | 0 | 121.2 | | |
| 490 | A | 25.3 | Very low | 31.6 | Very low | 80 Ų | 80 | 118.5 Ų | 118.5 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | | | trans | -152.4 | -174.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 491 | P | 51.6 | Low | 31.4 | Very low | 119 Ų | 119 | 115.3 Ų | 115.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | cis | -139.5 | -167.4 | 1.3 | 44.9 | -26.7 | 0 | 0 | 0 | 115.2 | | |
| 492 | A | 29.7 | Very low | 31.6 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | | | trans | 67.6 | 157.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 493 | G | 26.9 | Very low | 31.9 | Very low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | | | cis | 157.7 | 176.7 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 494 | G | 27.3 | Very low | 32.4 | Very low | 85 Ų | 85 | 118.1 Ų | 118.1 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | | | trans | 104.7 | 164.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 495 | A | 30.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -148.7 | 161.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 496 | G | 28.3 | Very low | 31.9 | Very low | 75 Ų | 75 | 117.2 Ų | 117.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | 117.1 | 150 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 497 | A | 34.8 | Very low | 31.8 | Very low | 95 Ų | 95 | 117.1 Ų | 117.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | 77.1 | 109.8 | 152 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 498 | E | 30.6 | Very low | 31.6 | Very low | 159 Ų | 159 | 118 Ų | 118 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | | | trans | 56.1 | 129.4 | 131.5 | -62.2 | -153.5 | 69.7 | 0 | 0 | 123.3 | K500 | E498-K500 IonicContact OE1-NZ 2.6Å; E498-K500 PolarHBondContact OE1-NZ 2.72Å; E498-K500 IonicContact OE2-NZ 3.77Å |
| 499 | G | 30.2 | Very low | 31.9 | Very low | 77 Ų | 77 | 120.4 Ų | 120.4 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -154.2 | 14.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 500 | K | 35.9 | Very low | 32.2 | Very low | 171 Ų | 171 | 117.3 Ų | 117.3 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | 29.7 | 111.9 | 159.5 | -45.4 | -180 | -159.2 | -71.1 | 0 | 119.1 | E498 | E498-K500 IonicContact OE1-NZ 2.6Å; E498-K500 PolarHBondContact OE1-NZ 2.72Å; E498-K500 IonicContact OE2-NZ 3.77Å |
| 501 | G | 26.4 | Very low | 32.4 | Very low | 79 Ų | 79 | 117.1 Ų | 117.1 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | trans | -149.9 | 155.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 502 | L | 29.9 | Very low | 31.5 | Very low | 178 Ų | 178 | 120 Ų | 120 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | | | trans | -113.9 | 150 | -165.8 | -68.5 | 164.9 | 0 | 0 | 0 | 114.3 | | |
| 503 | F | 36.6 | Very low | 31.9 | Very low | 205 Ų | 205 | 121 Ų | 121 | 90% | 0.899 | 80% | 0.804 | S | S | * | * | | | trans | -76.8 | 160.5 | 163.8 | -65.1 | -82.2 | 0 | 0 | 0 | 111.2 | | |
| 504 | P | 36.9 | Very low | 32.2 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | | -150.9 | 145 | 96.1 | 37.2 | -19.8 | 0 | 0 | 0 | 117.6 | | |
| 505 | G | 28.4 | Very low | 32.6 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | trans | 86.6 | 126.6 | 131.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 506 | S | 29.3 | Very low | 32.9 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | 66.5 | 151.6 | 154.1 | -61.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 507 | T | 30.5 | Very low | 32.9 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | cis | -150.8 | 152.1 | -2.5 | -4.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 508 | L | 38.2 | Very low | 33.1 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -84.5 | 151.8 | 172.3 | -68.5 | 173.2 | 0 | 0 | 0 | 112.2 | L510 | L508-L510 HydrophobicContact CD1-CD1 4.36Š|
| 509 | P | 32 | Very low | 33.5 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -127.7 | 111 | 134 | 33.5 | -22.9 | 0 | 0 | 0 | 111.3 | | |
| 510 | L | 36.9 | Very low | 33.5 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | | | trans | -97 | 117.1 | 166.6 | -80.4 | 167.3 | 0 | 0 | 0 | 109 | L508 | L508-L510 HydrophobicContact CD1-CD1 4.36Š|
| 511 | G | 28.6 | Very low | 33.4 | Very low | 76 Ų | 76 | 140 Ų | 140 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -115.5 | 102.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 512 | F | 33.8 | Very low | 33.6 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 128.1 | 169.5 | -78.7 | -89.6 | 0 | 0 | 0 | 110.2 | | |
| 513 | P | 38.4 | Very low | 33.7 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 123.4 | 161.5 | 30.8 | -30.3 | 0 | 0 | 0 | 109.4 | | |
| 514 | Y | 32.8 | Very low | 33.7 | Very low | 225 Ų | 225 | 133.2 Ų | 133.2 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 150.9 | 175.6 | -148.2 | -92.7 | 0 | 0 | 0 | 110.8 | | |
| 515 | A | 36 | Very low | 34 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 141 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 516 | V | 35.7 | Very low | 34.2 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 133.4 | 165.6 | 176.9 | 0 | 0 | 0 | 0 | 109 | | |
| 517 | S | 28.7 | Very low | 34.4 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 129.7 | 178.9 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | Y519 | S517-Y519 VanDerWaalsContact C-N 3.34Å; S517-Y519 PolarHBondContact O-N 3.34Å; S517-Y519 VanDerWaalsContact O-N 3.09Å |
| 518 | P | 38.7 | Very low | 34.9 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | trans | -89.4 | 54.7 | -169.9 | 37.4 | -38.2 | 0 | 0 | 0 | 113.5 | | |
| 519 | Y | 39.1 | Very low | 34.9 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | | | trans | -134.4 | 145.7 | 171.5 | -80.6 | -83.8 | 0 | 0 | 0 | 111.5 | S517 | S517-Y519 VanDerWaalsContact C-N 3.34Å; S517-Y519 PolarHBondContact O-N 3.34Å; S517-Y519 VanDerWaalsContact O-N 3.09Å |
| 520 | F | 29.7 | Very low | 35.8 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 82% | 0.82 | 82% | 0.818 | S | S | * | * | | | trans | 76.8 | 82.1 | -176 | -50.7 | -70.7 | 0 | 0 | 0 | 117.4 | | |
| 521 | H | 35.3 | Very low | 35.9 | Very low | 202 Ų | 202 | 137.8 Ų | 137.8 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | | | trans | -126 | 108.4 | 145.5 | -74.1 | -46.9 | 0 | 0 | 0 | 109.7 | | |
| 522 | T | 30.6 | Very low | 36.8 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | | | trans | -127 | 118.6 | 176.8 | -54.5 | 0 | 0 | 0 | 0 | 109 | | |
| 523 | G | 32.2 | Very low | 37.2 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | 82.1 | 90.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 524 | A | 35 | Very low | 37.1 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | | | trans | -134.9 | 131.5 | 151 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 525 | V | 44.3 | Very low | 37.6 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | trans | -122.3 | 149.5 | 178.4 | -68 | 0 | 0 | 0 | 0 | 110 | | |
| 526 | G | 31.8 | Very low | 37.7 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | | | trans | 100.8 | 97.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 527 | G | 34.8 | Very low | 38 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | -105 | 170.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 528 | L | 40.9 | Very low | 39.1 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 94% | 0.937 | 79% | 0.79 | S | S | * | * | | | trans | -133.3 | 150.5 | 153.6 | -74.4 | 179.4 | 0 | 0 | 0 | 108.1 | | |
| 529 | S | 38 | Very low | 40.3 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -68.9 | 131.1 | -174.9 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 530 | M | 49.7 | Very low | 42.3 | Very low | 188 Ų | 188 | 123.9 Ų | 123.9 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | | | trans | -114.3 | 149.7 | 145.7 | -80 | -80 | 87.8 | 0 | 0 | 108.8 | | |
| 531 | D | 39.4 | Very low | 45 | Very low | 161 Ų | 161 | 116.6 Ų | 116.6 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | | | trans | -109.4 | 151 | -168.1 | -177.6 | -128.8 | 0 | 0 | 0 | 110.8 | | |
| 532 | G | 47.6 | Very low | 47.5 | Very low | 71 Ų | 71 | 110.6 Ų | 110.6 | 73% | 0.732 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 88.8 | 11.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 533 | E | 42.7 | Very low | 50.4 | Low | 180 Ų | 180 | 111.4 Ų | 111.4 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | | | trans | -143.3 | 100 | 156.9 | -158.9 | -175.6 | 132.8 | 0 | 0 | 112.4 | A535 | E533-A535 PolarHBondContact O-N 3.43Š|
| 534 | E | 36.7 | Very low | 53.4 | Low | 168 Ų | 168 | 108.1 Ų | 108.1 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | | | trans | -80.1 | 92 | 167.2 | -172.7 | 168.6 | 108 | 0 | 0 | 108.8 | | |
| 535 | A | 43.1 | Very low | 56.2 | Low | 71 Ų | 71 | 106.7 Ų | 106.7 | 59% | 0.587 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 127.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | E533 A537 | E533-A535 PolarHBondContact O-N 3.43Å; A535-A537 PolarHBondContact O-N 2.69Å; A535-A537 VanDerWaalsContact O-N 3.11Å |
| 536 | P | 37.9 | Very low | 58.7 | Low | 100 Ų | 100 | 101.1 Ų | 101.1 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 121.8 | -159.5 | 18.3 | -32 | 0 | 0 | 0 | 110.8 | | |
| 537 | A | 42 | Very low | 61.8 | Low | 61 Ų | 61 | 101.3 Ų | 101.3 | 50% | 0.504 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -49.1 | 134.3 | 174 | 0 | 0 | 0 | 0 | 0 | 108.4 | A535 E539 | A535-A537 PolarHBondContact O-N 2.69Å; A535-A537 VanDerWaalsContact O-N 3.11Å; A537-E539 WeakPolarHBondContact O-CA 3.32Å; A537-E539 PolarHBondContact O-N 2.72Å |
| 538 | P | 52.4 | Low | 64.6 | Low | 106 Ų | 106 | 101.5 Ų | 101.5 | 69% | 0.688 | 58% | 0.578 | S | S | * | * | | | trans | -53.3 | 107.9 | -163.9 | 21.7 | -34.3 | 0 | 0 | 0 | 109.5 | D540 | P538-D540 PolarHBondContact O-N 3.37Å; P538-D540 VanDerWaalsContact O-N 3.1Å |
| 539 | E | 63 | Low | 67.2 | Low | 99 Ų | 99 | 93 Ų | 93 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | | | trans | -51.7 | 119.8 | -158.8 | -69.7 | -176 | -163 | 0 | 0 | 110.4 | A537 V541 L605 | A537-E539 WeakPolarHBondContact O-CA 3.32Å; A537-E539 PolarHBondContact O-N 2.72Å; E539-V541 PolarHBondContact O-N 3.15Å; E539-L605 VanDerWaalsContact CD-CD1 3.41Å; E539-L605 HydrophobicContact CG-CD1 4.19Å; E539-L605 WeakPolarHBondContact OE1-CD1 3.43Å; E539-L605 WeakPolarHBondContact OE2-CD1 3.33Å |
| 540 | D | 81.3 | Confident | 69.9 | Low | 90 Ų | 90 | 88.2 Ų | 88.2 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | | | trans | -51.6 | 110.9 | -174 | -67.5 | -66.7 | 0 | 0 | 0 | 108.7 | P538 T542 K543 | P538-D540 PolarHBondContact O-N 3.37Å; P538-D540 VanDerWaalsContact O-N 3.1Å; D540-T542 PolarHBondContact O-N 3.19Å; D540-K543 HydrophobicContact CB-CD 3.92Å; D540-K543 HydrophobicContact CB-CG 4.08Å; D540-K543 WeakPolarHBondContact O-CB 3.49Å; D540-K543 PolarHBondContact O-N 3.5Å; D540-K543 WeakPolarHBondContact OD2-CE 3.07Å; D540-K543 IonicContact OD2-NZ 2.79Å; D540-K543 PolarHBondContact OD2-NZ 2.94Å |
| 541 | V | 85.8 | Confident | 72.1 | Confident | 35 Ų | 35 | 83.5 Ų | 83.5 | 21% | 0.212 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -55.4 | -32.5 | -169.7 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | E539 K543 W544 G573 P577 P603 | E539-V541 PolarHBondContact O-N 3.15Å; V541-K543 PolarHBondContact O-N 3.1Å; V541-W544 VanDerWaalsContact O-CB 3.31Å; V541-W544 WeakPolarHBondContact O-CB 3.38Å; V541-W544 PolarHBondContact O-N 3.42Å; V541-W544 VanDerWaalsContact O-N 3.09Å; V541-G573 CarbonylContact O-C 3.37Å; V541-G573 WeakPolarHBondContact O-CA 3.47Å; V541-P577 HydrophobicContact CG1-CG 4.15Å; V541-P603 HydrophobicContact CG1-CB 4.02Å; V541-P603 HydrophobicContact CG1-CG 3.79Å; V541-P603 HydrophobicContact CG2-CB 3.92Å; V541-P603 HydrophobicContact CG2-CG 4.13Å |
| 542 | T | 88.6 | Confident | 74.6 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 47% | 0.466 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -57.2 | -24.4 | 174.6 | 50.9 | 0 | 0 | 0 | 0 | 114.8 | D540 E574 | D540-T542 PolarHBondContact O-N 3.19Å; T542-E574 VanDerWaalsContact O-CG 3.29Å; T542-E574 WeakPolarHBondContact O-CG 3.13Å |
| 543 | K | 91.7 | Very high | 76.8 | Confident | 154 Ų | 154 | 73.7 Ų | 73.7 | 67% | 0.67 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -82.6 | -10.7 | 178.4 | -63.1 | 173.9 | -177.5 | 158.5 | 0 | 113.6 | D540 V541 | D540-K543 HydrophobicContact CB-CD 3.92Å; D540-K543 HydrophobicContact CB-CG 4.08Å; D540-K543 WeakPolarHBondContact O-CB 3.49Å; D540-K543 PolarHBondContact O-N 3.5Å; D540-K543 WeakPolarHBondContact OD2-CE 3.07Å; D540-K543 IonicContact OD2-NZ 2.79Å; D540-K543 PolarHBondContact OD2-NZ 2.94Å; V541-K543 PolarHBondContact O-N 3.1Å |
| 544 | W | 94.3 | Very high | 79.3 | Confident | 12 Ų | 12 | 67 Ų | 67 | 5% | 0.045 | 39% | 0.394 | C | S | . | . | | | trans | -67.9 | 135.2 | -174.7 | -71.5 | 19.8 | 0 | 0 | 0 | 111.9 | V541 D548 V549 F552 G573 P603 L605 | V541-W544 VanDerWaalsContact O-CB 3.31Å; V541-W544 WeakPolarHBondContact O-CB 3.38Å; V541-W544 PolarHBondContact O-N 3.42Å; V541-W544 VanDerWaalsContact O-N 3.09Å; W544-D548 HydrophobicContact CB-CB 4.07Å; W544-D548 HydrophobicContact CD2-CB 4.37Å; W544-D548 HydrophobicContact CE3-CB 4.4Å; W544-D548 HydrophobicContact CG-CB 4.27Å; W544-V549 HydrophobicContact CB-CG2 4.25Å; W544-V549 HydrophobicContact CE3-CG2 4.13Å; W544-F552 HydrophobicContact CH2-CB 4.08Å; W544-F552 HydrophobicContact CH2-CD2 4.16Å; W544-F552 HydrophobicContact CH2-CG 4.14Å; W544-F552 HydrophobicContact CZ3-CB 3.54Å; W544-F552 HydrophobicContact CZ3-CD1 4.19Å; W544-F552 HydrophobicContact CZ3-CD2 4.24Å; W544-F552 AromaticContact CZ3-CG 3.75Å; W544-F552 HydrophobicContact CZ3-CG 3.75Å; W544-G573 WeakPolarHBondContact O-CA 3.47Å; W544-G573 PolarHBondContact O-N 3.35Å; W544-P603 HydrophobicContact CE3-CB 4.29Å; W544-P603 HydrophobicContact CH2-CB 3.25Å; W544-P603 WeakPolarHBondContact CH2-O 3.44Å; W544-P603 HydrophobicContact CZ2-CB 3.74Å; W544-P603 WeakPolarHBondContact CZ2-O 3.4Å; W544-P603 HydrophobicContact CZ3-CB 3.55Å; W544-L605 HydrophobicContact CH2-CD2 3.6Å; W544-L605 HydrophobicContact CH2-CG 4.35Å; W544-L605 HydrophobicContact CZ2-CD2 3.44Å; W544-L605 VanDerWaalsContact CZ2-CD2 3.44Å; W544-L605 HydrophobicContact CZ2-CG 3.76Å |
| 545 | T | 95 | Very high | 81.9 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | | | trans | -78.5 | 168 | 171.8 | 73.4 | 0 | 0 | 0 | 0 | 111.1 | D547 D548 V549 | T545-D547 PolarHBondContact O-N 3.48Å; T545-D547 PolarHBondContact OG1-N 2.84Å; T545-D548 WeakPolarHBondContact CA-OD2 3.36Å; T545-D548 VanDerWaalsContact CB-OD2 3.27Å; T545-D548 WeakPolarHBondContact CB-OD2 3.29Å; T545-D548 WeakPolarHBondContact CG2-OD2 3.1Å; T545-D548 PolarHBondContact N-OD2 2.89Å; T545-D548 PolarHBondContact O-N 3.21Å; T545-D548 VanDerWaalsContact O-N 3.08Å; T545-D548 PolarHBondContact OG1-N 2.93Å; T545-D548 PolarHBondContact OG1-OD2 3.29Å; T545-V549 WeakPolarHBondContact O-CG2 3.19Å; T545-V549 PolarHBondContact O-N 3.47Å |
| 546 | V | 96 | Very high | 84.3 | Confident | 35 Ų | 35 | 59 Ų | 59 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.8 | -31.5 | 172.3 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | C550 R567 I571 D572 | V546-C550 WeakPolarHBondContact O-CB 3.46Å; V546-C550 PolarHBondContact O-N 3.12Å; V546-C550 PolarHBondContact O-SG 2.82Å; V546-R567 HydrophobicContact CG1-CG 4.49Å; V546-I571 WeakPolarHBondContact CA-O 3.11Å; V546-D572 HydrophobicContact CG2-CB 4.14Å |
| 547 | D | 96.4 | Very high | 86.8 | Confident | 90 Ų | 90 | 58.2 Ų | 58.2 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.1 | -38.4 | 176.1 | -85.3 | -83 | 0 | 0 | 0 | 112.6 | T545 C550 S551 R567 | T545-D547 PolarHBondContact O-N 3.48Å; T545-D547 PolarHBondContact OG1-N 2.84Å; D547-C550 WeakPolarHBondContact O-CB 3.48Å; D547-C550 PolarHBondContact O-N 3.41Å; D547-S551 WeakPolarHBondContact O-CB 3.42Å; D547-S551 PolarHBondContact O-N 2.73Å; D547-R567 IonicContact OD1-CZ 3.13Å; D547-R567 IonicContact OD1-NH1 2.72Å; D547-R567 PolarHBondContact OD1-NH1 2.93Å; D547-R567 IonicContact OD1-NH2 2.74Å; D547-R567 PolarHBondContact OD1-NH2 3.47Å; D547-R567 IonicContact OD2-CZ 3.65Å; D547-R567 IonicContact OD2-NH1 2.71Å; D547-R567 PolarHBondContact OD2-NH1 3.22Å |
| 548 | D | 94.6 | Very high | 89.1 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 40% | 0.401 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.7 | -42.6 | 177.1 | -52.5 | -54.9 | 0 | 0 | 0 | 111.1 | W544 T545 C550 S551 F552 | W544-D548 HydrophobicContact CB-CB 4.07Å; W544-D548 HydrophobicContact CD2-CB 4.37Å; W544-D548 HydrophobicContact CE3-CB 4.4Å; W544-D548 HydrophobicContact CG-CB 4.27Å; T545-D548 WeakPolarHBondContact CA-OD2 3.36Å; T545-D548 VanDerWaalsContact CB-OD2 3.27Å; T545-D548 WeakPolarHBondContact CB-OD2 3.29Å; T545-D548 WeakPolarHBondContact CG2-OD2 3.1Å; T545-D548 PolarHBondContact N-OD2 2.89Å; T545-D548 PolarHBondContact O-N 3.21Å; T545-D548 VanDerWaalsContact O-N 3.08Å; T545-D548 PolarHBondContact OG1-N 2.93Å; T545-D548 PolarHBondContact OG1-OD2 3.29Å; D548-C550 VanDerWaalsContact C-N 3.31Å; D548-C550 PolarHBondContact O-N 3.49Å; D548-S551 WeakPolarHBondContact O-CB 3.39Å; D548-S551 PolarHBondContact O-N 2.67Å; D548-S551 VanDerWaalsContact O-N 3.13Å; D548-F552 PolarHBondContact O-N 3.37Å |
| 549 | V | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 171.2 | 175.2 | 0 | 0 | 0 | 0 | 111 | W544 T545 S551 F552 V553 F566 I571 L576 | W544-V549 HydrophobicContact CB-CG2 4.25Å; W544-V549 HydrophobicContact CE3-CG2 4.13Å; T545-V549 WeakPolarHBondContact O-CG2 3.19Å; T545-V549 PolarHBondContact O-N 3.47Å; V549-S551 VanDerWaalsContact C-N 3.34Å; V549-F552 PolarHBondContact O-N 2.98Å; V549-V553 HydrophobicContact CG1-CG2 4.48Å; V549-V553 WeakPolarHBondContact O-CB 3.32Å; V549-V553 WeakPolarHBondContact O-CG2 3.4Å; V549-V553 PolarHBondContact O-N 2.88Å; V549-F566 HydrophobicContact CG1-CD1 3.73Å; V549-F566 HydrophobicContact CG1-CE1 4.42Å; V549-I571 WeakPolarHBondContact CB-O 3.4Å; V549-I571 HydrophobicContact CG1-CB 4.44Å; V549-I571 HydrophobicContact CG1-CG2 4.09Å; V549-L576 HydrophobicContact CG1-CD1 4.29Å; V549-L576 HydrophobicContact CG1-CD2 4.23Å; V549-L576 HydrophobicContact CG2-CB 4.43Å; V549-L576 HydrophobicContact CG2-CD2 4.14Å |
| 550 | C | 95.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.054 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | 174.2 | -73.1 | 0 | 0 | 0 | 0 | 112.7 | V546 D547 D548 G554 T563 | V546-C550 WeakPolarHBondContact O-CB 3.46Å; V546-C550 PolarHBondContact O-N 3.12Å; V546-C550 PolarHBondContact O-SG 2.82Å; D547-C550 WeakPolarHBondContact O-CB 3.48Å; D547-C550 PolarHBondContact O-N 3.41Å; D548-C550 VanDerWaalsContact C-N 3.31Å; D548-C550 PolarHBondContact O-N 3.49Å; C550-G554 PolarHBondContact O-N 3Å; C550-T563 VanDerWaalsContact O-CG2 3.31Å; C550-T563 WeakPolarHBondContact O-CG2 3.42Å; C550-T563 PolarHBondContact SG-O 3.44Å; C550-T563 VanDerWaalsContact SG-O 3.41Å |
| 551 | S | 94.6 | Very high | 92.9 | Very high | 89 Ų | 89 | 50.7 Ų | 50.7 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.7 | -48 | 175.5 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | D547 D548 V549 G554 G555 | D547-S551 WeakPolarHBondContact O-CB 3.42Å; D547-S551 PolarHBondContact O-N 2.73Å; D548-S551 WeakPolarHBondContact O-CB 3.39Å; D548-S551 PolarHBondContact O-N 2.67Å; D548-S551 VanDerWaalsContact O-N 3.13Å; V549-S551 VanDerWaalsContact C-N 3.34Å; S551-G554 WeakPolarHBondContact O-CA 3.49Å; S551-G554 PolarHBondContact O-N 3.42Å; S551-G555 PolarHBondContact O-N 3.01Å |
| 552 | F | 93.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -52.9 | 174.8 | 169.3 | -108.1 | 0 | 0 | 0 | 112.5 | W544 D548 V549 G554 G555 L556 L576 Q601 P603 | W544-F552 HydrophobicContact CH2-CB 4.08Å; W544-F552 HydrophobicContact CH2-CD2 4.16Å; W544-F552 HydrophobicContact CH2-CG 4.14Å; W544-F552 HydrophobicContact CZ3-CB 3.54Å; W544-F552 HydrophobicContact CZ3-CD1 4.19Å; W544-F552 HydrophobicContact CZ3-CD2 4.24Å; W544-F552 AromaticContact CZ3-CG 3.75Å; W544-F552 HydrophobicContact CZ3-CG 3.75Å; D548-F552 PolarHBondContact O-N 3.37Å; V549-F552 PolarHBondContact O-N 2.98Å; F552-G554 PolarHBondContact O-N 3.46Å; F552-G555 PolarHBondContact O-N 3.41Å; F552-G555 VanDerWaalsContact O-N 3.11Å; F552-L556 HydrophobicContact CE1-CD1 4.06Å; F552-L556 HydrophobicContact CZ-CD1 4.11Å; F552-L556 WeakPolarHBondContact O-CG 3.37Å; F552-L556 PolarHBondContact O-N 2.97Å; F552-L576 HydrophobicContact CD1-CD2 4.35Å; F552-L576 HydrophobicContact CE1-CD2 4.4Å; F552-Q601 HydrophobicContact CZ-CB 4.18Å; F552-P603 HydrophobicContact CE1-CG 4.36Å; F552-P603 HydrophobicContact CE2-CB 4.38Å; F552-P603 HydrophobicContact CZ-CB 4.31Å; F552-P603 HydrophobicContact CZ-CG 4.29Å |
| 553 | V | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -28.2 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | V549 C559 T563 F566 I598 | V549-V553 HydrophobicContact CG1-CG2 4.48Å; V549-V553 WeakPolarHBondContact O-CB 3.32Å; V549-V553 WeakPolarHBondContact O-CG2 3.4Å; V549-V553 PolarHBondContact O-N 2.88Å; V553-C559 HydrophobicContact CG1-CB 4.21Å; V553-C559 CarbonylContact O-C 3.49Å; V553-C559 VanDerWaalsContact O-CB 3.31Å; V553-C559 WeakPolarHBondContact O-CB 3.42Å; V553-T563 HydrophobicContact CB-CG2 4.16Å; V553-T563 HydrophobicContact CG1-CG2 3.99Å; V553-F566 HydrophobicContact CG1-CD2 4.3Å; V553-F566 HydrophobicContact CG1-CE2 4.41Å; V553-F566 HydrophobicContact CG2-CD1 4.06Å; V553-F566 HydrophobicContact CG2-CE1 4.05Å; V553-F566 HydrophobicContact CG2-CE2 4.5Å; V553-F566 HydrophobicContact CG2-CG 4.31Å; V553-F566 HydrophobicContact CG2-CZ 4.28Å; V553-I598 HydrophobicContact CG1-CD1 4.09Å; V553-I598 HydrophobicContact CG2-CD1 4.34Å; V553-I598 HydrophobicContact CG2-CG1 4.39Å |
| 554 | G | 94 | Very high | 93.8 | Very high | 38 Ų | 38 | 49 Ų | 49 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.9 | -38.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C550 S551 F552 L556 T563 | C550-G554 PolarHBondContact O-N 3Å; S551-G554 WeakPolarHBondContact O-CA 3.49Å; S551-G554 PolarHBondContact O-N 3.42Å; F552-G554 PolarHBondContact O-N 3.46Å; G554-L556 VanDerWaalsContact C-N 3.29Å; G554-L556 PolarHBondContact O-N 2.88Å; G554-T563 VanDerWaalsContact CA-CG2 3.46Å; G554-T563 VanDerWaalsContact N-CG2 3.31Å |
| 555 | G | 92.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 50 Ų | 50 | 64% | 0.639 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70.7 | -20.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S551 F552 S557 | S551-G555 PolarHBondContact O-N 3.01Å; F552-G555 PolarHBondContact O-N 3.41Å; F552-G555 VanDerWaalsContact O-N 3.11Å; G555-S557 PolarHBondContact O-N 3.31Å |
| 556 | L | 92.7 | Very high | 93.8 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -72.5 | 124.6 | 177.3 | -68.8 | 178 | 0 | 0 | 0 | 111.8 | F552 G554 G558 C559 I598 Q601 | F552-L556 HydrophobicContact CE1-CD1 4.06Å; F552-L556 HydrophobicContact CZ-CD1 4.11Å; F552-L556 WeakPolarHBondContact O-CG 3.37Å; F552-L556 PolarHBondContact O-N 2.97Å; G554-L556 VanDerWaalsContact C-N 3.29Å; G554-L556 PolarHBondContact O-N 2.88Å; L556-G558 PolarHBondContact O-N 3.44Å; L556-C559 HydrophobicContact CB-CB 3.61Å; L556-C559 WeakPolarHBondContact O-CB 3.47Å; L556-C559 PolarHBondContact O-N 3.32Å; L556-I598 HydrophobicContact CD1-CB 4.38Å; L556-I598 HydrophobicContact CD1-CG1 3.65Å; L556-Q601 HydrophobicContact CD2-CB 4.48Å; L556-Q601 HydrophobicContact CD2-CG 4.2Å; L556-Q601 VanDerWaalsContact CD2-OE1 3.22Å |
| 557 | S | 91.9 | Very high | 93.8 | Very high | 85 Ų | 85 | 50.6 Ų | 50.6 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 118.4 | -175.2 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | G555 C559 K597 | G555-S557 PolarHBondContact O-N 3.31Å; S557-C559 VanDerWaalsContact C-N 3.27Å; S557-C559 PolarHBondContact O-N 3.29Å; S557-K597 PolarHBondContact O-NZ 2.69Å; S557-K597 PolarHBondContact OG-NZ 2.91Å |
| 558 | G | 89.4 | Confident | 93.8 | Very high | 53 Ų | 53 | 52 Ų | 52 | 55% | 0.546 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 22.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L556 | L556-G558 PolarHBondContact O-N 3.44Š|
| 559 | C | 92.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -13.8 | 171.6 | -65.1 | 0 | 0 | 0 | 0 | 113.2 | V553 L556 S557 E561 Y562 | V553-C559 HydrophobicContact CG1-CB 4.21Å; V553-C559 CarbonylContact O-C 3.49Å; V553-C559 VanDerWaalsContact O-CB 3.31Å; V553-C559 WeakPolarHBondContact O-CB 3.42Å; L556-C559 HydrophobicContact CB-CB 3.61Å; L556-C559 WeakPolarHBondContact O-CB 3.47Å; L556-C559 PolarHBondContact O-N 3.32Å; S557-C559 VanDerWaalsContact C-N 3.27Å; S557-C559 PolarHBondContact O-N 3.29Å; C559-E561 PolarHBondContact O-N 2.97Å; C559-E561 VanDerWaalsContact O-N 3.08Å; C559-Y562 WeakPolarHBondContact O-CB 3.4Å; C559-Y562 WeakPolarHBondContact O-CD2 3.18Å; C559-Y562 PolarHBondContact O-N 3.49Å |
| 560 | G | 91.5 | Very high | 93.8 | Very high | 32 Ų | 32 | 55 Ų | 55 | 33% | 0.33 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -52.4 | -32.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y562 T563 | G560-Y562 PolarHBondContact O-N 3.45Å; G560-T563 WeakPolarHBondContact O-CB 3.44Å; G560-T563 WeakPolarHBondContact O-CG2 3.37Å; G560-T563 PolarHBondContact O-N 2.89Å; G560-T563 PolarHBondContact O-OG1 3.23Å |
| 561 | E | 92.7 | Very high | 93.8 | Very high | 113 Ų | 113 | 54.9 Ų | 54.9 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -60 | -23.2 | 174.6 | 67 | -160.3 | -123.9 | 0 | 0 | 114.1 | C559 K591 | C559-E561 PolarHBondContact O-N 2.97Å; C559-E561 VanDerWaalsContact O-N 3.08Å; E561-K591 IonicContact OE1-NZ 2.72Å; E561-K591 PolarHBondContact OE1-NZ 2.93Å |
| 562 | Y | 93.7 | Very high | 93.8 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 7% | 0.071 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -96.3 | -9 | -179.5 | -53.9 | -72.6 | 0 | 0 | 0 | 114 | C559 G560 R564 V565 F566 L590 K591 P594 | C559-Y562 WeakPolarHBondContact O-CB 3.4Å; C559-Y562 WeakPolarHBondContact O-CD2 3.18Å; C559-Y562 PolarHBondContact O-N 3.49Å; G560-Y562 PolarHBondContact O-N 3.45Å; Y562-R564 PolarHBondContact O-N 3.4Å; Y562-V565 WeakPolarHBondContact O-CA 3.32Å; Y562-V565 WeakPolarHBondContact O-CB 3.41Å; Y562-V565 PolarHBondContact O-N 3.3Å; Y562-F566 WeakPolarHBondContact O-CD2 3.41Å; Y562-F566 PolarHBondContact O-N 2.89Å; Y562-F566 VanDerWaalsContact O-N 3.12Å; Y562-L590 HydrophobicContact CD1-CD1 3.61Å; Y562-L590 HydrophobicContact CD1-CG 3.58Å; Y562-L590 HydrophobicContact CD2-CD2 4.45Å; Y562-L590 HydrophobicContact CD2-CG 4.16Å; Y562-L590 HydrophobicContact CE1-CB 4.43Å; Y562-L590 HydrophobicContact CE1-CD1 4.24Å; Y562-L590 HydrophobicContact CE1-CG 3.88Å; Y562-L590 HydrophobicContact CE2-CG 4.45Å; Y562-L590 HydrophobicContact CG-CD1 3.95Å; Y562-L590 HydrophobicContact CG-CD2 4.24Å; Y562-L590 HydrophobicContact CG-CG 3.72Å; Y562-K591 VanDerWaalsContact OH-CD 3.3Å; Y562-K591 WeakPolarHBondContact OH-CD 3.46Å; Y562-K591 VanDerWaalsContact OH-CE 3.3Å; Y562-K591 WeakPolarHBondContact OH-CE 3.46Å; Y562-K591 PolarHBondContact OH-NZ 3.17Å; Y562-K591 VanDerWaalsContact OH-NZ 3.13Å; Y562-P594 HydrophobicContact CD2-CB 3.94Å; Y562-P594 HydrophobicContact CD2-CG 4.32Å; Y562-P594 HydrophobicContact CE2-CB 3.55Å; Y562-P594 HydrophobicContact CE2-CG 3.48Å; Y562-P594 VanDerWaalsContact CE2-CG 3.48Å |
| 563 | T | 95 | Very high | 93.8 | Very high | 38 Ų | 38 | 52 Ų | 52 | 23% | 0.233 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54 | -39.8 | 178.8 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | C550 V553 G554 G560 V565 F566 R567 | C550-T563 VanDerWaalsContact O-CG2 3.31Å; C550-T563 WeakPolarHBondContact O-CG2 3.42Å; C550-T563 PolarHBondContact SG-O 3.44Å; C550-T563 VanDerWaalsContact SG-O 3.41Å; V553-T563 HydrophobicContact CB-CG2 4.16Å; V553-T563 HydrophobicContact CG1-CG2 3.99Å; G554-T563 VanDerWaalsContact CA-CG2 3.46Å; G554-T563 VanDerWaalsContact N-CG2 3.31Å; G560-T563 WeakPolarHBondContact O-CB 3.44Å; G560-T563 WeakPolarHBondContact O-CG2 3.37Å; G560-T563 PolarHBondContact O-N 2.89Å; G560-T563 PolarHBondContact O-OG1 3.23Å; T563-V565 VanDerWaalsContact C-N 3.31Å; T563-V565 PolarHBondContact O-N 3.5Å; T563-F566 PolarHBondContact O-N 2.87Å; T563-R567 PolarHBondContact O-N 3.22Å |
| 564 | R | 95.2 | Very high | 93.6 | Very high | 172 Ų | 172 | 58.1 Ų | 58.1 | 65% | 0.649 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.9 | -40.7 | 173 | 178.4 | 176.4 | 169.5 | 173.4 | -0.9 | 112.5 | Y562 R567 E568 | Y562-R564 PolarHBondContact O-N 3.4Å; R564-R567 PolarHBondContact O-N 2.94Å; R564-E568 HydrophobicContact CG-CG 4.3Å; R564-E568 IonicContact CZ-OE1 2.72Å; R564-E568 IonicContact NE-OE1 2.69Å; R564-E568 PolarHBondContact NE-OE1 3.44Å; R564-E568 IonicContact NE-OE2 3.17Å; R564-E568 IonicContact NH2-OE1 3.93Å; R564-E568 PolarHBondContact NH2-OE1 2.72Å; R564-E568 WeakPolarHBondContact O-CB 3.48Å; R564-E568 WeakPolarHBondContact O-CG 3.49Å; R564-E568 PolarHBondContact O-N 2.94Å |
| 565 | V | 95.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 58.6 Ų | 58.6 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 180 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | Y562 T563 R567 E568 Q569 M588 | Y562-V565 WeakPolarHBondContact O-CA 3.32Å; Y562-V565 WeakPolarHBondContact O-CB 3.41Å; Y562-V565 PolarHBondContact O-N 3.3Å; T563-V565 VanDerWaalsContact C-N 3.31Å; T563-V565 PolarHBondContact O-N 3.5Å; V565-R567 VanDerWaalsContact C-N 3.3Å; V565-R567 PolarHBondContact O-N 3.44Å; V565-E568 PolarHBondContact O-N 2.95Å; V565-Q569 HydrophobicContact CG1-CG 4.26Å; V565-Q569 WeakPolarHBondContact O-CB 3.39Å; V565-Q569 VanDerWaalsContact O-CG 3.27Å; V565-Q569 WeakPolarHBondContact O-CG 3.49Å; V565-Q569 PolarHBondContact O-N 2.88Å; V565-M588 HydrophobicContact CG1-CB 3.79Å; V565-M588 HydrophobicContact CG1-CG 4.03Å; V565-M588 HydrophobicContact CG1-SD 4.29Å |
| 566 | F | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 173.9 | -81.8 | -110 | 0 | 0 | 0 | 111.6 | V549 V553 Y562 T563 G570 I571 L576 L579 L584 M588 L590 I598 | V549-F566 HydrophobicContact CG1-CD1 3.73Å; V549-F566 HydrophobicContact CG1-CE1 4.42Å; V553-F566 HydrophobicContact CG1-CD2 4.3Å; V553-F566 HydrophobicContact CG1-CE2 4.41Å; V553-F566 HydrophobicContact CG2-CD1 4.06Å; V553-F566 HydrophobicContact CG2-CE1 4.05Å; V553-F566 HydrophobicContact CG2-CE2 4.5Å; V553-F566 HydrophobicContact CG2-CG 4.31Å; V553-F566 HydrophobicContact CG2-CZ 4.28Å; Y562-F566 WeakPolarHBondContact O-CD2 3.41Å; Y562-F566 PolarHBondContact O-N 2.89Å; Y562-F566 VanDerWaalsContact O-N 3.12Å; T563-F566 PolarHBondContact O-N 2.87Å; F566-G570 PolarHBondContact O-N 3.02Å; F566-G570 VanDerWaalsContact O-N 3.11Å; F566-I571 HydrophobicContact CB-CB 4.41Å; F566-I571 HydrophobicContact CB-CG1 4.39Å; F566-I571 HydrophobicContact CD1-CB 3.79Å; F566-I571 HydrophobicContact CD1-CG1 3.89Å; F566-I571 HydrophobicContact CD1-CG2 3.83Å; F566-I571 HydrophobicContact CE1-CG1 4.5Å; F566-I571 HydrophobicContact CE1-CG2 4.18Å; F566-I571 HydrophobicContact CG-CB 4.47Å; F566-I571 HydrophobicContact CG-CG1 4.31Å; F566-I571 PolarHBondContact O-N 3.03Å; F566-L576 HydrophobicContact CE1-CD1 3.99Å; F566-L579 HydrophobicContact CE1-CD1 3.77Å; F566-L579 HydrophobicContact CZ-CD1 4.25Å; F566-L584 HydrophobicContact CE2-CD2 4.31Å; F566-L584 HydrophobicContact CZ-CD2 3.65Å; F566-M588 HydrophobicContact CD2-SD 3.99Å; F566-M588 HydrophobicContact CE2-SD 3.73Å; F566-M588 HydrophobicContact CG-SD 4.5Å; F566-M588 HydrophobicContact CZ-CE 4.43Å; F566-M588 HydrophobicContact CZ-SD 4.01Å; F566-L590 HydrophobicContact CE2-CD1 4.38Å; F566-L590 HydrophobicContact CE2-CD2 4.24Å; F566-I598 HydrophobicContact CE1-CG2 4.38Å; F566-I598 HydrophobicContact CE2-CD1 3.99Å; F566-I598 HydrophobicContact CZ-CD1 3.86Å; F566-I598 HydrophobicContact CZ-CG2 4.1Å |
| 567 | R | 96.1 | Very high | 93.5 | Very high | 121 Ų | 121 | 60 Ų | 60 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 173.1 | -168.4 | 175.3 | -66.1 | -90.5 | 2.8 | 113.2 | V546 D547 T563 R564 V565 Q569 G570 | V546-R567 HydrophobicContact CG1-CG 4.49Å; D547-R567 IonicContact OD1-CZ 3.13Å; D547-R567 IonicContact OD1-NH1 2.72Å; D547-R567 PolarHBondContact OD1-NH1 2.93Å; D547-R567 IonicContact OD1-NH2 2.74Å; D547-R567 PolarHBondContact OD1-NH2 3.47Å; D547-R567 IonicContact OD2-CZ 3.65Å; D547-R567 IonicContact OD2-NH1 2.71Å; D547-R567 PolarHBondContact OD2-NH1 3.22Å; T563-R567 PolarHBondContact O-N 3.22Å; R564-R567 PolarHBondContact O-N 2.94Å; V565-R567 VanDerWaalsContact C-N 3.3Å; V565-R567 PolarHBondContact O-N 3.44Å; R567-Q569 VanDerWaalsContact C-N 3.34Å; R567-G570 PolarHBondContact O-N 3.13Å |
| 568 | E | 95.6 | Very high | 93.5 | Very high | 119 Ų | 119 | 62.5 Ų | 62.5 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -69.4 | -29.7 | -179.9 | -76.4 | 175.4 | 160.9 | 0 | 0 | 112.8 | R564 V565 | R564-E568 HydrophobicContact CG-CG 4.3Å; R564-E568 IonicContact CZ-OE1 2.72Å; R564-E568 IonicContact NE-OE1 2.69Å; R564-E568 PolarHBondContact NE-OE1 3.44Å; R564-E568 IonicContact NE-OE2 3.17Å; R564-E568 IonicContact NH2-OE1 3.93Å; R564-E568 PolarHBondContact NH2-OE1 2.72Å; R564-E568 WeakPolarHBondContact O-CB 3.48Å; R564-E568 WeakPolarHBondContact O-CG 3.49Å; R564-E568 PolarHBondContact O-N 2.94Å; V565-E568 PolarHBondContact O-N 2.95Å |
| 569 | Q | 94.7 | Very high | 93.7 | Very high | 101 Ų | 101 | 60.7 Ų | 60.7 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -6.5 | 172.2 | -62.5 | -68.3 | -14.2 | 0 | 0 | 113.2 | V565 R567 I571 M588 | V565-Q569 HydrophobicContact CG1-CG 4.26Å; V565-Q569 WeakPolarHBondContact O-CB 3.39Å; V565-Q569 VanDerWaalsContact O-CG 3.27Å; V565-Q569 WeakPolarHBondContact O-CG 3.49Å; V565-Q569 PolarHBondContact O-N 2.88Å; R567-Q569 VanDerWaalsContact C-N 3.34Å; Q569-I571 HydrophobicContact CB-CD1 3.76Å; Q569-I571 HydrophobicContact CB-CG1 3.93Å; Q569-M588 HydrophobicContact CG-CG 4.27Å |
| 570 | G | 94.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 33.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F566 R567 D572 | F566-G570 PolarHBondContact O-N 3.02Å; F566-G570 VanDerWaalsContact O-N 3.11Å; R567-G570 PolarHBondContact O-N 3.13Å; G570-D572 PolarHBondContact O-N 3.36Å; G570-D572 VanDerWaalsContact O-N 3.16Å |
| 571 | I | 95.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 66.1 Ų | 66.1 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | | | trans | -70.7 | 110.8 | -176.4 | -51.7 | -54.1 | 0 | 0 | 0 | 110.4 | V546 V549 F566 Q569 T575 L576 L579 M588 | V546-I571 WeakPolarHBondContact CA-O 3.11Å; V549-I571 WeakPolarHBondContact CB-O 3.4Å; V549-I571 HydrophobicContact CG1-CB 4.44Å; V549-I571 HydrophobicContact CG1-CG2 4.09Å; F566-I571 HydrophobicContact CB-CB 4.41Å; F566-I571 HydrophobicContact CB-CG1 4.39Å; F566-I571 HydrophobicContact CD1-CB 3.79Å; F566-I571 HydrophobicContact CD1-CG1 3.89Å; F566-I571 HydrophobicContact CD1-CG2 3.83Å; F566-I571 HydrophobicContact CE1-CG1 4.5Å; F566-I571 HydrophobicContact CE1-CG2 4.18Å; F566-I571 HydrophobicContact CG-CB 4.47Å; F566-I571 HydrophobicContact CG-CG1 4.31Å; F566-I571 PolarHBondContact O-N 3.03Å; Q569-I571 HydrophobicContact CB-CD1 3.76Å; Q569-I571 HydrophobicContact CB-CG1 3.93Å; I571-T575 HydrophobicContact CD1-CG2 3.97Å; I571-T575 HydrophobicContact CG2-CG2 4.36Å; I571-L576 HydrophobicContact CG2-CB 4.11Å; I571-L579 HydrophobicContact CD1-CD2 4.23Å; I571-L579 HydrophobicContact CG1-CD1 4.47Å; I571-L579 HydrophobicContact CG2-CD1 3.83Å; I571-M588 HydrophobicContact CD1-CE 3.67Å; I571-M588 HydrophobicContact CG1-CE 3.76Å |
| 572 | D | 95.1 | Very high | 93.9 | Very high | 54 Ų | 54 | 67.5 Ų | 67.5 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | | | trans | -98.1 | -177.3 | 173.2 | 60.6 | 17.6 | 0 | 0 | 0 | 112.4 | V546 G570 E574 T575 L576 | V546-D572 HydrophobicContact CG2-CB 4.14Å; G570-D572 PolarHBondContact O-N 3.36Å; G570-D572 VanDerWaalsContact O-N 3.16Å; D572-E574 VanDerWaalsContact C-N 3.34Å; D572-E574 PolarHBondContact O-N 3.11Å; D572-E574 PolarHBondContact OD1-N 2.93Å; D572-T575 PolarHBondContact O-N 3.28Å; D572-T575 WeakPolarHBondContact OD1-CB 3.47Å; D572-T575 PolarHBondContact OD1-N 3.15Å; D572-T575 PolarHBondContact OD1-OG1 3.3Å; D572-L576 WeakPolarHBondContact O-CB 3.37Å; D572-L576 PolarHBondContact O-N 2.81Å |
| 573 | G | 92.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -28.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | V541 W544 P577 | V541-G573 CarbonylContact O-C 3.37Å; V541-G573 WeakPolarHBondContact O-CA 3.47Å; W544-G573 WeakPolarHBondContact O-CA 3.47Å; W544-G573 PolarHBondContact O-N 3.35Å; G573-P577 WeakPolarHBondContact O-CD 3.46Å |
| 574 | E | 91.6 | Very high | 93.9 | Very high | 129 Ų | 129 | 67.4 Ų | 67.4 | 60% | 0.603 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -35.6 | 174.3 | -57.9 | -162.1 | 154.8 | 0 | 0 | 111 | T542 D572 | T542-E574 VanDerWaalsContact O-CG 3.29Å; T542-E574 WeakPolarHBondContact O-CG 3.13Å; D572-E574 VanDerWaalsContact C-N 3.34Å; D572-E574 PolarHBondContact O-N 3.11Å; D572-E574 PolarHBondContact OD1-N 2.93Å |
| 575 | T | 92.4 | Very high | 93.9 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 30% | 0.301 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -37.6 | -178.9 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | I571 D572 L578 L579 | I571-T575 HydrophobicContact CD1-CG2 3.97Å; I571-T575 HydrophobicContact CG2-CG2 4.36Å; D572-T575 PolarHBondContact O-N 3.28Å; D572-T575 WeakPolarHBondContact OD1-CB 3.47Å; D572-T575 PolarHBondContact OD1-N 3.15Å; D572-T575 PolarHBondContact OD1-OG1 3.3Å; T575-L578 WeakPolarHBondContact O-CA 3.42Å; T575-L578 WeakPolarHBondContact O-CB 3.18Å; T575-L578 PolarHBondContact O-N 3.39Å; T575-L579 HydrophobicContact CG2-CD2 4.08Å; T575-L579 PolarHBondContact O-N 2.9Å |
| 576 | L | 92.4 | Very high | 93.7 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -52 | -45.3 | -175.4 | 174.7 | 67.1 | 0 | 0 | 0 | 113.9 | V549 F552 F566 I571 D572 L578 L579 I598 P603 | V549-L576 HydrophobicContact CG1-CD1 4.29Å; V549-L576 HydrophobicContact CG1-CD2 4.23Å; V549-L576 HydrophobicContact CG2-CB 4.43Å; V549-L576 HydrophobicContact CG2-CD2 4.14Å; F552-L576 HydrophobicContact CD1-CD2 4.35Å; F552-L576 HydrophobicContact CE1-CD2 4.4Å; F566-L576 HydrophobicContact CE1-CD1 3.99Å; I571-L576 HydrophobicContact CG2-CB 4.11Å; D572-L576 WeakPolarHBondContact O-CB 3.37Å; D572-L576 PolarHBondContact O-N 2.81Å; L576-L578 VanDerWaalsContact C-N 3.28Å; L576-L578 PolarHBondContact O-N 3.2Å; L576-L579 HydrophobicContact CD1-CD1 4.21Å; L576-L579 WeakPolarHBondContact O-CB 3.35Å; L576-L579 PolarHBondContact O-N 3.46Å; L576-I598 HydrophobicContact CD1-CG2 4.11Å; L576-P603 HydrophobicContact CD2-CG 3.84Å |
| 577 | P | 90.8 | Very high | 93.5 | Very high | 87 Ų | 87 | 70 Ų | 70 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -69.1 | -21 | 176.4 | -20.4 | 34.1 | 0 | 0 | 0 | 114.4 | V541 G573 L579 | V541-P577 HydrophobicContact CG1-CG 4.15Å; G573-P577 WeakPolarHBondContact O-CD 3.46Å; P577-L579 VanDerWaalsContact C-N 3.32Å |
| 578 | L | 92 | Very high | 93.3 | Very high | 136 Ų | 136 | 64.9 Ų | 64.9 | 71% | 0.712 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -83.4 | -9.5 | 179.9 | -55.5 | 177.1 | 0 | 0 | 0 | 112.5 | T575 L576 T580 | T575-L578 WeakPolarHBondContact O-CA 3.42Å; T575-L578 WeakPolarHBondContact O-CB 3.18Å; T575-L578 PolarHBondContact O-N 3.39Å; L576-L578 VanDerWaalsContact C-N 3.28Å; L576-L578 PolarHBondContact O-N 3.2Å; L578-T580 PolarHBondContact O-N 3.31Å; L578-T580 VanDerWaalsContact O-N 3.14Å |
| 579 | L | 92.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 61.8 Ų | 61.8 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | | | trans | -70.2 | 108.1 | -177.6 | -62.6 | -174.9 | 0 | 0 | 0 | 112.3 | F566 I571 T575 L576 P577 L584 M588 | F566-L579 HydrophobicContact CE1-CD1 3.77Å; F566-L579 HydrophobicContact CZ-CD1 4.25Å; I571-L579 HydrophobicContact CD1-CD2 4.23Å; I571-L579 HydrophobicContact CG1-CD1 4.47Å; I571-L579 HydrophobicContact CG2-CD1 3.83Å; T575-L579 HydrophobicContact CG2-CD2 4.08Å; T575-L579 PolarHBondContact O-N 2.9Å; L576-L579 HydrophobicContact CD1-CD1 4.21Å; L576-L579 WeakPolarHBondContact O-CB 3.35Å; L576-L579 PolarHBondContact O-N 3.46Å; P577-L579 VanDerWaalsContact C-N 3.32Å; L579-L584 HydrophobicContact CB-CD2 4.38Å; L579-L584 HydrophobicContact CB-CG 4.33Å; L579-L584 HydrophobicContact CD1-CD2 3.97Å; L579-M588 HydrophobicContact CD1-CE 3.56Å; L579-M588 HydrophobicContact CD2-CE 3.82Å; L579-M588 HydrophobicContact CG-CE 4.33Å |
| 580 | T | 93.9 | Very high | 93.1 | Very high | 75 Ų | 75 | 57.3 Ų | 57.3 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | | | trans | -71.5 | 158.2 | 172.5 | 69.8 | 0 | 0 | 0 | 0 | 111.6 | L578 E582 H583 L584 | L578-T580 PolarHBondContact O-N 3.31Å; L578-T580 VanDerWaalsContact O-N 3.14Å; T580-E582 VanDerWaalsContact C-N 3.27Å; T580-E582 PolarHBondContact O-N 2.99Å; T580-H583 PolarHBondContact O-N 2.87Å; T580-H583 WeakPolarHBondContact OG1-CB 3.39Å; T580-H583 PolarHBondContact OG1-N 2.91Å; T580-H583 VanDerWaalsContact OG1-N 3.14Å; T580-L584 WeakPolarHBondContact O-CG 3.44Å; T580-L584 PolarHBondContact O-N 2.81Å; T580-L584 VanDerWaalsContact O-N 3.09Å |
| 581 | E | 93.6 | Very high | 93.2 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.1 | -41.7 | 173.4 | -160.1 | 171.9 | 129.7 | 0 | 0 | 111.8 | H583 L584 L585 L592 L596 R599 | E581-H583 VanDerWaalsContact C-N 3.35Å; E581-H583 PolarHBondContact O-N 3.45Å; E581-L584 PolarHBondContact O-N 3.48Å; E581-L585 HydrophobicContact CG-CD1 4.1Å; E581-L585 WeakPolarHBondContact O-CB 3.39Å; E581-L585 WeakPolarHBondContact O-CG 3.43Å; E581-L585 PolarHBondContact O-N 3.13Å; E581-L592 HydrophobicContact CG-CD1 4.41Å; E581-L592 WeakPolarHBondContact OE1-CD1 3.41Å; E581-L596 WeakPolarHBondContact OE2-CD2 3.38Å; E581-R599 IonicContact OE2-CZ 2.67Å; E581-R599 IonicContact OE2-NH1 3.18Å; E581-R599 PolarHBondContact OE2-NH1 3.15Å |
| 582 | E | 93.3 | Very high | 93.1 | Very high | 142 Ų | 142 | 65.6 Ų | 65.6 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.7 | -43.2 | 176 | -177.8 | 174 | -162.1 | 0 | 0 | 111.9 | T580 L585 T586 | T580-E582 VanDerWaalsContact C-N 3.27Å; T580-E582 PolarHBondContact O-N 2.99Å; E582-L585 PolarHBondContact O-N 3.48Å; E582-T586 WeakPolarHBondContact O-CA 3.48Å; E582-T586 WeakPolarHBondContact O-CB 3.49Å; E582-T586 PolarHBondContact O-N 3.03Å; E582-T586 PolarHBondContact O-OG1 3.41Å |
| 583 | H | 94.3 | Very high | 93 | Very high | 54 Ų | 54 | 65 Ų | 65 | 25% | 0.25 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 178.9 | -177 | 101 | 0 | 0 | 0 | 111.7 | T580 E581 L585 T586 N587 M588 | T580-H583 PolarHBondContact O-N 2.87Å; T580-H583 WeakPolarHBondContact OG1-CB 3.39Å; T580-H583 PolarHBondContact OG1-N 2.91Å; T580-H583 VanDerWaalsContact OG1-N 3.14Å; E581-H583 VanDerWaalsContact C-N 3.35Å; E581-H583 PolarHBondContact O-N 3.45Å; H583-L585 PolarHBondContact O-N 2.91Å; H583-T586 PolarHBondContact O-N 3.24Å; H583-N587 WeakPolarHBondContact O-CA 3.38Å; H583-N587 WeakPolarHBondContact O-CB 3.43Å; H583-N587 PolarHBondContact O-N 3.41Å; H583-M588 PolarHBondContact O-N 3.12Å; H583-M588 VanDerWaalsContact O-N 3.16Å |
| 584 | L | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.8 | -68.5 | 166.5 | 0 | 0 | 0 | 111.6 | F566 L579 T580 E581 M588 G589 L590 A595 R599 | F566-L584 HydrophobicContact CE2-CD2 4.31Å; F566-L584 HydrophobicContact CZ-CD2 3.65Å; L579-L584 HydrophobicContact CB-CD2 4.38Å; L579-L584 HydrophobicContact CB-CG 4.33Å; L579-L584 HydrophobicContact CD1-CD2 3.97Å; T580-L584 WeakPolarHBondContact O-CG 3.44Å; T580-L584 PolarHBondContact O-N 2.81Å; T580-L584 VanDerWaalsContact O-N 3.09Å; E581-L584 PolarHBondContact O-N 3.48Å; L584-M588 HydrophobicContact CD2-CE 4.09Å; L584-M588 HydrophobicContact CD2-SD 4.14Å; L584-G589 PolarHBondContact O-N 3.49Å; L584-L590 HydrophobicContact CD2-CD2 4.23Å; L584-L590 WeakPolarHBondContact O-CB 3.41Å; L584-L590 PolarHBondContact O-N 3.31Å; L584-A595 HydrophobicContact CB-CB 3.82Å; L584-A595 HydrophobicContact CD1-CB 4.16Å; L584-R599 HydrophobicContact CD1-CG 3.65Å |
| 585 | L | 95 | Very high | 93.1 | Very high | 61 Ų | 61 | 59.8 Ų | 59.8 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71 | -40.1 | 179.7 | -69 | 173.4 | 0 | 0 | 0 | 113.2 | E581 E582 H583 G589 L590 L592 A595 | E581-L585 HydrophobicContact CG-CD1 4.1Å; E581-L585 WeakPolarHBondContact O-CB 3.39Å; E581-L585 WeakPolarHBondContact O-CG 3.43Å; E581-L585 PolarHBondContact O-N 3.13Å; E582-L585 PolarHBondContact O-N 3.48Å; H583-L585 PolarHBondContact O-N 2.91Å; L585-G589 WeakPolarHBondContact O-CA 3.48Å; L585-L590 VanDerWaalsContact CD2-O 3.3Å; L585-L590 WeakPolarHBondContact CD2-O 3.37Å; L585-L592 HydrophobicContact CD1-CD1 4.23Å; L585-L592 HydrophobicContact CD2-CB 4.21Å; L585-L592 HydrophobicContact CD2-CD1 4.35Å; L585-A595 HydrophobicContact CD2-CB 4.24Å |
| 586 | T | 91.4 | Very high | 93.2 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -102.6 | -42.9 | -164.6 | -45.6 | 0 | 0 | 0 | 0 | 112.8 | E582 H583 | E582-T586 WeakPolarHBondContact O-CA 3.48Å; E582-T586 WeakPolarHBondContact O-CB 3.49Å; E582-T586 PolarHBondContact O-N 3.03Å; E582-T586 PolarHBondContact O-OG1 3.41Å; H583-T586 PolarHBondContact O-N 3.24Å |
| 587 | N | 90.8 | Very high | 93.1 | Very high | 100 Ų | 100 | 64 Ų | 64 | 54% | 0.535 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -38.4 | -178.1 | -62 | 68.3 | 0 | 0 | 0 | 111.5 | H583 | H583-N587 WeakPolarHBondContact O-CA 3.38Å; H583-N587 WeakPolarHBondContact O-CB 3.43Å; H583-N587 PolarHBondContact O-N 3.41Å |
| 588 | M | 92.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 6% | 0.064 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -97 | -9.8 | 177.7 | -61 | -162.6 | -148 | 0 | 0 | 114.2 | V565 F566 Q569 I571 L579 H583 L584 L590 | V565-M588 HydrophobicContact CG1-CB 3.79Å; V565-M588 HydrophobicContact CG1-CG 4.03Å; V565-M588 HydrophobicContact CG1-SD 4.29Å; F566-M588 HydrophobicContact CD2-SD 3.99Å; F566-M588 HydrophobicContact CE2-SD 3.73Å; F566-M588 HydrophobicContact CG-SD 4.5Å; F566-M588 HydrophobicContact CZ-CE 4.43Å; F566-M588 HydrophobicContact CZ-SD 4.01Å; Q569-M588 HydrophobicContact CG-CG 4.27Å; I571-M588 HydrophobicContact CD1-CE 3.67Å; I571-M588 HydrophobicContact CG1-CE 3.76Å; L579-M588 HydrophobicContact CD1-CE 3.56Å; L579-M588 HydrophobicContact CD2-CE 3.82Å; L579-M588 HydrophobicContact CG-CE 4.33Å; H583-M588 PolarHBondContact O-N 3.12Å; H583-M588 VanDerWaalsContact O-N 3.16Å; L584-M588 HydrophobicContact CD2-CE 4.09Å; L584-M588 HydrophobicContact CD2-SD 4.14Å; M588-L590 VanDerWaalsContact C-N 3.3Å; M588-L590 HydrophobicContact CB-CD1 3.52Å; M588-L590 PolarHBondContact O-N 2.93Å |
| 589 | G | 91.9 | Very high | 93 | Very high | 53 Ų | 53 | 59.5 Ų | 59.5 | 55% | 0.546 | 32% | 0.319 | S | S | . | . | | | trans | 68.5 | 21.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L584 L585 | L584-G589 PolarHBondContact O-N 3.49Å; L585-G589 WeakPolarHBondContact O-CA 3.48Å |
| 590 | L | 94.6 | Very high | 92.6 | Very high | 8 Ų | 8 | 62.6 Ų | 62.6 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | | | trans | -66 | 152 | 177.5 | -87.3 | 68.8 | 0 | 0 | 0 | 111.3 | Y562 F566 L584 L585 M588 P594 A595 I598 | Y562-L590 HydrophobicContact CD1-CD1 3.61Å; Y562-L590 HydrophobicContact CD1-CG 3.58Å; Y562-L590 HydrophobicContact CD2-CD2 4.45Å; Y562-L590 HydrophobicContact CD2-CG 4.16Å; Y562-L590 HydrophobicContact CE1-CB 4.43Å; Y562-L590 HydrophobicContact CE1-CD1 4.24Å; Y562-L590 HydrophobicContact CE1-CG 3.88Å; Y562-L590 HydrophobicContact CE2-CG 4.45Å; Y562-L590 HydrophobicContact CG-CD1 3.95Å; Y562-L590 HydrophobicContact CG-CD2 4.24Å; Y562-L590 HydrophobicContact CG-CG 3.72Å; F566-L590 HydrophobicContact CE2-CD1 4.38Å; F566-L590 HydrophobicContact CE2-CD2 4.24Å; L584-L590 HydrophobicContact CD2-CD2 4.23Å; L584-L590 WeakPolarHBondContact O-CB 3.41Å; L584-L590 PolarHBondContact O-N 3.31Å; L585-L590 VanDerWaalsContact CD2-O 3.3Å; L585-L590 WeakPolarHBondContact CD2-O 3.37Å; M588-L590 VanDerWaalsContact C-N 3.3Å; M588-L590 HydrophobicContact CB-CD1 3.52Å; M588-L590 PolarHBondContact O-N 2.93Å; L590-P594 HydrophobicContact CD2-CB 4.15Å; L590-P594 HydrophobicContact CG-CB 4.49Å; L590-A595 HydrophobicContact CB-CB 4.18Å; L590-A595 HydrophobicContact CD2-CB 4.41Å; L590-I598 HydrophobicContact CD2-CD1 3.58Å |
| 591 | K | 95.6 | Very high | 91.8 | Very high | 127 Ų | 127 | 63.8 Ų | 63.8 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | | | trans | -75.4 | 152.1 | 165.2 | -59 | 159.4 | -161.6 | 140.6 | 0 | 108.7 | E561 Y562 G593 P594 A595 | E561-K591 IonicContact OE1-NZ 2.72Å; E561-K591 PolarHBondContact OE1-NZ 2.93Å; Y562-K591 VanDerWaalsContact OH-CD 3.3Å; Y562-K591 WeakPolarHBondContact OH-CD 3.46Å; Y562-K591 VanDerWaalsContact OH-CE 3.3Å; Y562-K591 WeakPolarHBondContact OH-CE 3.46Å; Y562-K591 PolarHBondContact OH-NZ 3.17Å; Y562-K591 VanDerWaalsContact OH-NZ 3.13Å; K591-G593 VanDerWaalsContact C-N 3.27Å; K591-G593 PolarHBondContact O-N 3.08Å; K591-P594 HydrophobicContact CB-CG 4.28Å; K591-P594 VanDerWaalsContact O-CD 3.28Å; K591-P594 WeakPolarHBondContact O-CD 3.48Å; K591-A595 PolarHBondContact O-N 3.36Å |
| 592 | L | 93.1 | Very high | 90.4 | Very high | 90 Ų | 90 | 64.5 Ų | 64.5 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.4 | -37.2 | -178.1 | -175.9 | 63.9 | 0 | 0 | 0 | 113.8 | E581 L585 A595 L596 | E581-L592 HydrophobicContact CG-CD1 4.41Å; E581-L592 WeakPolarHBondContact OE1-CD1 3.41Å; L585-L592 HydrophobicContact CD1-CD1 4.23Å; L585-L592 HydrophobicContact CD2-CB 4.21Å; L585-L592 HydrophobicContact CD2-CD1 4.35Å; L592-A595 PolarHBondContact O-N 3.12Å; L592-L596 HydrophobicContact CD1-CD1 3.89Å; L592-L596 HydrophobicContact CD1-CD2 4.46Å; L592-L596 HydrophobicContact CD1-CG 3.9Å; L592-L596 HydrophobicContact CD2-CD1 4.46Å; L592-L596 HydrophobicContact CG-CD1 3.82Å; L592-L596 HydrophobicContact CG-CG 4.23Å; L592-L596 WeakPolarHBondContact O-CB 3.5Å; L592-L596 VanDerWaalsContact O-CG 3.28Å; L592-L596 WeakPolarHBondContact O-CG 3.44Å; L592-L596 PolarHBondContact O-N 3.45Å |
| 593 | G | 93.1 | Very high | 88.8 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.3 | -62.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | K591 A595 L596 K597 | K591-G593 VanDerWaalsContact C-N 3.27Å; K591-G593 PolarHBondContact O-N 3.08Å; G593-A595 PolarHBondContact O-N 3.04Å; G593-L596 PolarHBondContact O-N 3.33Å; G593-K597 WeakPolarHBondContact O-CG 3.49Å; G593-K597 PolarHBondContact O-N 3.24Å |
| 594 | P | 93.6 | Very high | 87 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -51.2 | -45.6 | 171.4 | -30.9 | 35.2 | 0 | 0 | 0 | 114.6 | Y562 L590 K591 L596 K597 I598 | Y562-P594 HydrophobicContact CD2-CB 3.94Å; Y562-P594 HydrophobicContact CD2-CG 4.32Å; Y562-P594 HydrophobicContact CE2-CB 3.55Å; Y562-P594 HydrophobicContact CE2-CG 3.48Å; Y562-P594 VanDerWaalsContact CE2-CG 3.48Å; L590-P594 HydrophobicContact CD2-CB 4.15Å; L590-P594 HydrophobicContact CG-CB 4.49Å; K591-P594 HydrophobicContact CB-CG 4.28Å; K591-P594 VanDerWaalsContact O-CD 3.28Å; K591-P594 WeakPolarHBondContact O-CD 3.48Å; P594-L596 PolarHBondContact O-N 3.44Å; P594-K597 PolarHBondContact O-N 2.94Å; P594-I598 WeakPolarHBondContact O-CG1 3.37Å; P594-I598 PolarHBondContact O-N 2.95Å |
| 595 | A | 94.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L584 L585 L590 K591 L592 G593 R599 | L584-A595 HydrophobicContact CB-CB 3.82Å; L584-A595 HydrophobicContact CD1-CB 4.16Å; L585-A595 HydrophobicContact CD2-CB 4.24Å; L590-A595 HydrophobicContact CB-CB 4.18Å; L590-A595 HydrophobicContact CD2-CB 4.41Å; K591-A595 PolarHBondContact O-N 3.36Å; L592-A595 PolarHBondContact O-N 3.12Å; G593-A595 PolarHBondContact O-N 3.04Å; A595-R599 PolarHBondContact O-N 3.41Å |
| 596 | L | 93 | Very high | 82.1 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71 | -37 | 174 | -69.7 | 175.8 | 0 | 0 | 0 | 112.3 | E581 L592 G593 P594 I598 R599 A600 | E581-L596 WeakPolarHBondContact OE2-CD2 3.38Å; L592-L596 HydrophobicContact CD1-CD1 3.89Å; L592-L596 HydrophobicContact CD1-CD2 4.46Å; L592-L596 HydrophobicContact CD1-CG 3.9Å; L592-L596 HydrophobicContact CD2-CD1 4.46Å; L592-L596 HydrophobicContact CG-CD1 3.82Å; L592-L596 HydrophobicContact CG-CG 4.23Å; L592-L596 WeakPolarHBondContact O-CB 3.5Å; L592-L596 VanDerWaalsContact O-CG 3.28Å; L592-L596 WeakPolarHBondContact O-CG 3.44Å; L592-L596 PolarHBondContact O-N 3.45Å; G593-L596 PolarHBondContact O-N 3.33Å; P594-L596 PolarHBondContact O-N 3.44Å; L596-I598 PolarHBondContact O-N 3.44Å; L596-R599 PolarHBondContact O-N 3.37Å; L596-A600 WeakPolarHBondContact O-CB 3.5Å; L596-A600 PolarHBondContact O-N 3.32Å |
| 597 | K | 91.9 | Very high | 79.3 | Confident | 79 Ų | 79 | 72.1 Ų | 72.1 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 175.3 | -77.9 | -173.6 | 179.1 | -168.7 | 0 | 111.9 | S557 G593 P594 R599 A600 Q601 | S557-K597 PolarHBondContact O-NZ 2.69Å; S557-K597 PolarHBondContact OG-NZ 2.91Å; G593-K597 WeakPolarHBondContact O-CG 3.49Å; G593-K597 PolarHBondContact O-N 3.24Å; P594-K597 PolarHBondContact O-N 2.94Å; K597-R599 VanDerWaalsContact C-N 3.31Å; K597-R599 PolarHBondContact O-N 3.29Å; K597-A600 PolarHBondContact O-N 3.11Å; K597-Q601 PolarHBondContact O-N 3.2Å; K597-Q601 VanDerWaalsContact O-N 3.14Å |
| 598 | I | 91.2 | Very high | 76.8 | Confident | 8 Ų | 8 | 72.6 Ų | 72.6 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.9 | -34.6 | -177.9 | -65.9 | 162.4 | 0 | 0 | 0 | 111.3 | V553 L556 F566 L576 L590 P594 L596 | V553-I598 HydrophobicContact CG1-CD1 4.09Å; V553-I598 HydrophobicContact CG2-CD1 4.34Å; V553-I598 HydrophobicContact CG2-CG1 4.39Å; L556-I598 HydrophobicContact CD1-CB 4.38Å; L556-I598 HydrophobicContact CD1-CG1 3.65Å; F566-I598 HydrophobicContact CE1-CG2 4.38Å; F566-I598 HydrophobicContact CE2-CD1 3.99Å; F566-I598 HydrophobicContact CZ-CD1 3.86Å; F566-I598 HydrophobicContact CZ-CG2 4.1Å; L576-I598 HydrophobicContact CD1-CG2 4.11Å; L590-I598 HydrophobicContact CD2-CD1 3.58Å; P594-I598 WeakPolarHBondContact O-CG1 3.37Å; P594-I598 PolarHBondContact O-N 2.95Å; L596-I598 PolarHBondContact O-N 3.44Å |
| 599 | R | 89 | Confident | 74 | Confident | 122 Ų | 122 | 80.1 Ų | 80.1 | 46% | 0.46 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -83.5 | -23.7 | 176.7 | -74 | 179.8 | 58.4 | -116.7 | 3.1 | 115 | E581 L584 A595 L596 K597 | E581-R599 IonicContact OE2-CZ 2.67Å; E581-R599 IonicContact OE2-NH1 3.18Å; E581-R599 PolarHBondContact OE2-NH1 3.15Å; L584-R599 HydrophobicContact CD1-CG 3.65Å; A595-R599 PolarHBondContact O-N 3.41Å; L596-R599 PolarHBondContact O-N 3.37Å; K597-R599 VanDerWaalsContact C-N 3.31Å; K597-R599 PolarHBondContact O-N 3.29Å |
| 600 | A | 84.9 | Confident | 71.3 | Confident | 80 Ų | 80 | 88.8 Ų | 88.8 | 66% | 0.661 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -91.5 | -21.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L596 K597 P602 | L596-A600 WeakPolarHBondContact O-CB 3.5Å; L596-A600 PolarHBondContact O-N 3.32Å; K597-A600 PolarHBondContact O-N 3.11Å; A600-P602 WeakPolarHBondContact O-CD 3.46Å |
| 601 | Q | 75.9 | Confident | 68.3 | Low | 99 Ų | 99 | 97.6 Ų | 97.6 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -89.2 | 114.9 | 168.5 | -63.4 | -159.8 | 23.3 | 0 | 0 | 108.9 | F552 L556 K597 | F552-Q601 HydrophobicContact CZ-CB 4.18Å; L556-Q601 HydrophobicContact CD2-CB 4.48Å; L556-Q601 HydrophobicContact CD2-CG 4.2Å; L556-Q601 VanDerWaalsContact CD2-OE1 3.22Å; K597-Q601 PolarHBondContact O-N 3.2Å; K597-Q601 VanDerWaalsContact O-N 3.14Å |
| 602 | P | 63.9 | Low | 65.2 | Low | 86 Ų | 86 | 99.5 Ų | 99.5 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | | | trans | -60.3 | 146.1 | 165.1 | 28.5 | -33.6 | 0 | 0 | 0 | 108 | A600 T604 | A600-P602 WeakPolarHBondContact O-CD 3.46Å; P602-T604 HydrophobicContact CG-CG2 4.49Å; P602-T604 PolarHBondContact O-N 3.28Å; P602-T604 PolarHBondContact O-OG1 3.04Å |
| 603 | P | 60.8 | Low | 62.2 | Low | 24 Ų | 24 | 98.4 Ų | 98.4 | 16% | 0.156 | 53% | 0.527 | C | S | . | . | | | trans | -74.1 | 43.5 | 178.9 | -16.8 | 33 | 0 | 0 | 0 | 113.7 | V541 W544 F552 L576 L605 | V541-P603 HydrophobicContact CG1-CB 4.02Å; V541-P603 HydrophobicContact CG1-CG 3.79Å; V541-P603 HydrophobicContact CG2-CB 3.92Å; V541-P603 HydrophobicContact CG2-CG 4.13Å; W544-P603 HydrophobicContact CE3-CB 4.29Å; W544-P603 HydrophobicContact CH2-CB 3.25Å; W544-P603 WeakPolarHBondContact CH2-O 3.44Å; W544-P603 HydrophobicContact CZ2-CB 3.74Å; W544-P603 WeakPolarHBondContact CZ2-O 3.4Å; W544-P603 HydrophobicContact CZ3-CB 3.55Å; F552-P603 HydrophobicContact CE1-CG 4.36Å; F552-P603 HydrophobicContact CE2-CB 4.38Å; F552-P603 HydrophobicContact CZ-CB 4.31Å; F552-P603 HydrophobicContact CZ-CG 4.29Å; L576-P603 HydrophobicContact CD2-CG 3.84Å; P603-L605 PolarHBondContact O-N 2.97Å |
| 604 | T | 55 | Low | 59.3 | Low | 88 Ų | 88 | 103.4 Ų | 103.4 | 54% | 0.54 | 55% | 0.55 | S | S | . | . | | | trans | -70.2 | 111.3 | 164.2 | 48.6 | 0 | 0 | 0 | 0 | 108.5 | P602 R606 | P602-T604 HydrophobicContact CG-CG2 4.49Å; P602-T604 PolarHBondContact O-N 3.28Å; P602-T604 PolarHBondContact O-OG1 3.04Å; T604-R606 PolarHBondContact O-N 3.14Å |
| 605 | L | 45.6 | Very low | 56.5 | Low | 100 Ų | 100 | 106 Ų | 106 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | | | trans | -57.1 | 110.9 | 179.6 | -67 | 178.2 | 0 | 0 | 0 | 111.5 | E539 W544 P603 | E539-L605 VanDerWaalsContact CD-CD1 3.41Å; E539-L605 HydrophobicContact CG-CD1 4.19Å; E539-L605 WeakPolarHBondContact OE1-CD1 3.43Å; E539-L605 WeakPolarHBondContact OE2-CD1 3.33Å; W544-L605 HydrophobicContact CH2-CD2 3.6Å; W544-L605 HydrophobicContact CH2-CG 4.35Å; W544-L605 HydrophobicContact CZ2-CD2 3.44Å; W544-L605 VanDerWaalsContact CZ2-CD2 3.44Å; W544-L605 HydrophobicContact CZ2-CG 3.76Å; P603-L605 PolarHBondContact O-N 2.97Å |
| 606 | R | 42.6 | Very low | 53.7 | Low | 221 Ų | 221 | 115.2 Ų | 115.2 | 83% | 0.834 | 62% | 0.623 | S | S | * | * | | | trans | -94.2 | 118.9 | 143.6 | -75.7 | -168.5 | 174.1 | -149.5 | -1.5 | 107.2 | T604 | T604-R606 PolarHBondContact O-N 3.14Š|
| 607 | A | 33 | Very low | 50.9 | Low | 84 Ų | 84 | 120 Ų | 120 | 69% | 0.694 | 64% | 0.643 | S | S | * | * | | | trans | -55.2 | 140.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | E609 | A607-E609 PolarHBondContact O-N 3.46Š|
| 608 | P | 38.7 | Very low | 48.1 | Very low | 111 Ų | 111 | 122 Ų | 122 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | | | trans | -68.1 | 106.6 | 179.4 | 26.8 | -33.3 | 0 | 0 | 0 | 109.7 | R610 | P608-R610 PolarHBondContact O-N 3.27Å; P608-R610 VanDerWaalsContact O-N 3.12Å |
| 609 | E | 32.8 | Very low | 45.3 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | | | trans | -56.4 | 117.7 | 165.6 | -70.6 | -173.3 | 94.3 | 0 | 0 | 108.2 | A607 E611 | A607-E609 PolarHBondContact O-N 3.46Å; E609-E611 PolarHBondContact O-N 3.28Å |
| 610 | R | 34.8 | Very low | 42.5 | Very low | 235 Ų | 235 | 129 Ų | 129 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | | | trans | -76.8 | 96.4 | -177 | -76.5 | -179.7 | 166.9 | 175.4 | -4.3 | 109.4 | P608 L612 | P608-R610 PolarHBondContact O-N 3.27Å; P608-R610 VanDerWaalsContact O-N 3.12Å; R610-L612 PolarHBondContact O-N 3.41Å |
| 611 | E | 31.8 | Very low | 40.4 | Very low | 194 Ų | 194 | 131.3 Ų | 131.3 | 91% | 0.907 | 73% | 0.727 | S | S | * | * | | | trans | -55.8 | 81.5 | 162.4 | -74.5 | -90 | 96.5 | 0 | 0 | 110.1 | E609 G613 | E609-E611 PolarHBondContact O-N 3.28Å; E611-G613 PolarHBondContact O-N 3.39Å |
| 612 | L | 30.7 | Very low | 38.2 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | | | trans | -82.3 | 95.2 | 179.2 | -171.8 | 71.6 | 0 | 0 | 0 | 109.2 | R610 T614 | R610-L612 PolarHBondContact O-N 3.41Å; L612-T614 PolarHBondContact O-N 3.07Å; L612-T614 VanDerWaalsContact O-N 3.14Å |
| 613 | G | 29.8 | Very low | 36.6 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | trans | -61.8 | 112 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E611 | E611-G613 PolarHBondContact O-N 3.39Š|
| 614 | T | 31.4 | Very low | 35.1 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 41 | 100.5 | 148.3 | -48.7 | 0 | 0 | 0 | 0 | 117.5 | L612 | L612-T614 PolarHBondContact O-N 3.07Å; L612-T614 VanDerWaalsContact O-N 3.14Å |
| 615 | G | 36.5 | Very low | 34 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | -179.5 | 35.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 616 | E | 34.7 | Very low | 33.4 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | 179.9 | 155.6 | 155.1 | -92.7 | -93.7 | 59.8 | 0 | 0 | 109 | | |
| 617 | Q | 33.9 | Very low | 33.3 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 130.3 | -175.3 | -71.9 | -172.8 | -106.1 | 0 | 0 | 113.8 | | |
| 618 | P | 33 | Very low | 33.3 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 125.5 | 159.9 | 10.3 | 6.6 | 0 | 0 | 0 | 110.8 | | |
| 619 | L | 32.8 | Very low | 32.8 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 152.8 | 164.9 | -78.1 | 168.5 | 0 | 0 | 0 | 111 | | |
| 620 | S | 31 | Very low | 32.8 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 152.3 | -165.9 | -52.2 | 0 | 0 | 0 | 0 | 115 | | |
| 621 | P | 39.2 | Very low | 32.6 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 159.1 | -179.4 | 33.1 | -36.8 | 0 | 0 | 0 | 113 | | |
| 622 | T | 29.3 | Very low | 32.7 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | | | trans | -133.8 | 135.8 | 164.1 | -65.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 623 | T | 31.9 | Very low | 32.8 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | | | trans | -55.1 | 136.5 | -173.1 | -34.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 624 | A | 29.6 | Very low | 33 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | | | trans | -112.4 | 130.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 625 | T | 31.7 | Very low | 33.1 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -119.9 | 130.1 | -165.3 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 626 | S | 31.5 | Very low | 32.8 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | | | trans | 24.1 | 124.7 | 155.7 | -159.6 | 0 | 0 | 0 | 0 | 120.7 | Y628 | S626-Y628 PolarHBondContact O-N 3.36Š|
| 627 | P | 40.9 | Very low | 32.6 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | | | trans | -78 | 110.8 | 171.6 | 32.2 | -32.8 | 0 | 0 | 0 | 113.1 | | |
| 628 | Y | 32.6 | Very low | 32.4 | Very low | 218 Ų | 218 | 125.9 Ų | 125.9 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | | | trans | 34.5 | 101.2 | 153.3 | -83 | -84.8 | 0 | 0 | 0 | 120.2 | S626 | S626-Y628 PolarHBondContact O-N 3.36Š|
| 629 | G | 29.2 | Very low | 32.3 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | | -81.5 | 141 | 126.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 630 | G | 31.9 | Very low | 32.7 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -90.9 | 158.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 631 | G | 31.6 | Very low | 32.7 | Very low | 65 Ų | 65 | 126.1 Ų | 126.1 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | | | trans | 167.4 | 111.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 632 | H | 33.9 | Very low | 32.4 | Very low | 195 Ų | 195 | 127.8 Ų | 127.8 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | | | trans | 52 | 109.3 | 153.8 | -60.5 | -83.6 | 0 | 0 | 0 | 120.4 | | |
| 633 | A | 31.5 | Very low | 32.4 | Very low | 105 Ų | 105 | 130 Ų | 130 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 151.1 | 159 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 634 | L | 34.7 | Very low | 32.4 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 95% | 0.948 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 147.7 | 172.5 | -108.1 | 164.5 | 0 | 0 | 0 | 111.2 | | |
| 635 | A | 34 | Very low | 32.7 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -89 | 157.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 636 | G | 29.3 | Very low | 32.7 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | -165.9 | 31.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 637 | Q | 31.9 | Very low | 33 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | | | trans | 30.5 | 131.4 | 163.3 | -52.7 | -166.4 | 25.5 | 0 | 0 | 120 | | |
| 638 | T | 29 | Very low | 32.8 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | | | | -164.8 | 170.6 | 77.7 | 26.8 | 0 | 0 | 0 | 0 | 113 | | |
| 639 | S | 30.3 | Very low | 32.8 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | | | trans | -80.9 | 164.4 | -173 | -157.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 640 | P | 41.5 | Very low | 33.2 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | | | | -129.1 | -172.6 | 85.7 | 39.2 | -31 | 0 | 0 | 0 | 113.8 | | |
| 641 | K | 31.4 | Very low | 34 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | | | trans | -143.5 | 152.1 | -172.6 | -163.5 | -170.2 | 72.1 | 175.2 | 0 | 110.7 | | |
| 642 | Q | 32.3 | Very low | 33.9 | Very low | 162 Ų | 162 | 137 Ų | 137 | 76% | 0.757 | 82% | 0.821 | S | S | * | * | | | trans | 76.6 | 123 | 153.7 | -176.3 | 174.4 | -6.2 | 0 | 0 | 119.3 | | |
| 643 | E | 30.2 | Very low | 34.2 | Very low | 184 Ų | 184 | 132.4 Ų | 132.4 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | | -162.8 | 164.6 | 120.9 | -166.7 | 144.5 | 100.5 | 0 | 0 | 112 | | |
| 644 | N | 31.2 | Very low | 35.2 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | -41.5 | 163.6 | 173.5 | -89.7 | -26.2 | 0 | 0 | 0 | 116.9 | | |
| 645 | G | 36 | Very low | 35.5 | Very low | 60 Ų | 60 | 131.7 Ų | 131.7 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | | | cis | 113.5 | 112.6 | -0.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 646 | T | 31.5 | Very low | 36.5 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | | | trans | 177.6 | 169.1 | 159.3 | -79 | 0 | 0 | 0 | 0 | 110.6 | | |
| 647 | L | 38.5 | Very low | 36.9 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -122.4 | -178.3 | -160.8 | -119.5 | 169.9 | 0 | 0 | 0 | 114.6 | | |
| 648 | A | 36.1 | Very low | 37.7 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | 93.9 | 145.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 649 | L | 32.9 | Very low | 39.2 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | cis | -158.5 | 164.9 | -12 | -117.8 | 169 | 0 | 0 | 0 | 110.8 | | |
| 650 | L | 37.5 | Very low | 39.8 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -95.3 | 158.2 | 174.1 | -61.6 | 173.3 | 0 | 0 | 0 | 111 | | |
| 651 | P | 49.2 | Very low | 40.1 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | | -140 | 178.9 | 72.6 | 35.2 | -15.6 | 0 | 0 | 0 | 113.9 | | |
| 652 | G | 30 | Very low | 40.5 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | cis | -176.8 | 173.8 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 653 | A | 39.1 | Very low | 40.9 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | | | trans | -100.6 | -177.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 654 | P | 52.7 | Low | 41.5 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | cis | -143 | -175.8 | 25.6 | 43.4 | -22 | 0 | 0 | 0 | 118.9 | | |
| 655 | D | 40.7 | Very low | 42.2 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | | | trans | -65.6 | -176.8 | 164 | -147.4 | 35.1 | 0 | 0 | 0 | 111.5 | | |
| 656 | P | 55.9 | Low | 42.5 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 64% | 0.643 | 83% | 0.825 | S | S | * | * | | | cis | -152.5 | -169.9 | 22.8 | 43.2 | -18.7 | 0 | 0 | 0 | 120.8 | | |
| 657 | S | 37.8 | Very low | 43.3 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | | | trans | 79.6 | 105.9 | 147.4 | 50.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 658 | Q | 48.3 | Very low | 43.6 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | | 30.7 | 162.4 | 100.6 | -79.1 | -161.7 | 10.8 | 0 | 0 | 121.3 | | |
| 659 | P | 61.2 | Low | 44.2 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 62% | 0.617 | 82% | 0.824 | S | S | * | * | | | cis | -143.6 | -160.4 | -29.7 | 39.1 | -18.7 | 0 | 0 | 0 | 113.4 | | |
| 660 | L | 42.1 | Very low | 45.1 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | 69.7 | 117.3 | 160 | -67.5 | 162.9 | 0 | 0 | 0 | 118.9 | | |
| 661 | C | 47.2 | Very low | 45.8 | Very low | 197 Ų | 197 | 128.1 Ų | 128.1 | 100% | 1.331 | 82% | 0.82 | S | S | * | * | | | | -155.6 | 0 | 90.1 | -148.8 | 0 | 0 | 0 | 0 | 111.7 | | |