| 1 | M | 52.7 | Low | 51.2 | Low | 252 Ų | 252 | 142.1 Ų | 142.1 | 100% | 1.241 | 84% | 0.842 | S | S | * | * | | | | 0 | 116.6 | 0 | -60.8 | -165.7 | -168.9 | 0 | 0 | 107.2 | | |
| 2 | R | 41.2 | Very low | 50.4 | Low | 259 Ų | 259 | 139.9 Ų | 139.9 | 98% | 0.977 | 84% | 0.839 | S | S | * | * | | | trans | -99.8 | 150 | 176.7 | -73.4 | 179 | 168.5 | -150.9 | -2.1 | 107.7 | | |
| 3 | G | 47 | Very low | 50.1 | Low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 84% | 0.84 | S | S | * | * | | | trans | 117.4 | 136.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 4 | D | 53.6 | Low | 49.6 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 88% | 0.882 | 84% | 0.838 | S | S | * | * | | | cis | -160.9 | 136.1 | -3.3 | -95 | -59 | 0 | 0 | 0 | 105.2 | | |
| 5 | A | 57.1 | Low | 48.7 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -79 | 136.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 6 | P | 62.2 | Low | 48 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 149.2 | -178.3 | 28.4 | -33.6 | 0 | 0 | 0 | 111.7 | | |
| 7 | P | 55.4 | Low | 47.7 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 154.5 | -175 | 30.9 | -34.9 | 0 | 0 | 0 | 112.1 | I9 | P7-I9 PolarHBondContact O-N 2.68Š|
| 8 | P | 54.2 | Low | 47.5 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 128.9 | 174.9 | 27.5 | -31.9 | 0 | 0 | 0 | 110.9 | G10 | P8-G10 PolarHBondContact O-N 2.75Å; P8-G10 VanDerWaalsContact O-N 3.11Å |
| 9 | I | 55.7 | Low | 47.5 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | | | trans | -64.9 | 107.3 | 176.4 | -63.4 | 165.7 | 0 | 0 | 0 | 108.6 | P7 V11 | P7-I9 PolarHBondContact O-N 2.68Å; I9-V11 PolarHBondContact O-N 2.94Å |
| 10 | G | 40.7 | Very low | 46.9 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | | | trans | -71.3 | 117 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | P8 S12 | P8-G10 PolarHBondContact O-N 2.75Å; P8-G10 VanDerWaalsContact O-N 3.11Å; G10-S12 PolarHBondContact O-N 3.18Å |
| 11 | V | 43.7 | Very low | 46.8 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | | | trans | -80.4 | 102.2 | 166 | -105.8 | 0 | 0 | 0 | 0 | 108.2 | I9 | I9-V11 PolarHBondContact O-N 2.94Š|
| 12 | S | 40.6 | Very low | 46.2 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -81.6 | 107.8 | 168.1 | -158.7 | 0 | 0 | 0 | 0 | 108.1 | G10 | G10-S12 PolarHBondContact O-N 3.18Š|
| 13 | V | 46.5 | Very low | 46.2 | Very low | 141 Ų | 141 | 124.2 Ų | 124.2 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -93 | 99.6 | 171 | -174.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 14 | S | 44 | Very low | 45.9 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -87.3 | 136.2 | 175.8 | -153.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 15 | G | 35.5 | Very low | 45.1 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | 89.3 | 81.3 | 155 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 16 | G | 38.3 | Very low | 44.2 | Very low | 63 Ų | 63 | 126.1 Ų | 126.1 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | | | trans | -144.4 | 87.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y18 | G16-Y18 PolarHBondContact O-N 2.75Å; G16-Y18 VanDerWaalsContact O-N 3.13Å |
| 17 | K | 42.4 | Very low | 43.2 | Very low | 214 Ų | 214 | 128 Ų | 128 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | | | trans | -74.1 | 94 | -177.4 | -152.4 | 176.9 | -165.6 | -178.8 | 0 | 109.1 | | |
| 18 | Y | 44.4 | Very low | 42.6 | Very low | 208 Ų | 208 | 130.6 Ų | 130.6 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | trans | -124.5 | 132.6 | 168.7 | -72.5 | -81.5 | 0 | 0 | 0 | 110.1 | G16 S20 | G16-Y18 PolarHBondContact O-N 2.75Å; G16-Y18 VanDerWaalsContact O-N 3.13Å; Y18-S20 PolarHBondContact O-N 2.92Å |
| 19 | P | 47.1 | Very low | 41.7 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -68.6 | 130 | -173.5 | 27.3 | -32.4 | 0 | 0 | 0 | 110.8 | V21 | P19-V21 PolarHBondContact O-N 3.23Å; P19-V21 VanDerWaalsContact O-N 3.17Å |
| 20 | S | 36.1 | Very low | 41.4 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | | | trans | -60 | 109.4 | 168.8 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | Y18 | Y18-S20 PolarHBondContact O-N 2.92Š|
| 21 | V | 44.9 | Very low | 41.6 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -99.1 | 105 | 169.5 | -146.2 | 0 | 0 | 0 | 0 | 106.9 | P19 A23 | P19-V21 PolarHBondContact O-N 3.23Å; P19-V21 VanDerWaalsContact O-N 3.17Å; V21-A23 PolarHBondContact O-N 2.97Å |
| 22 | E | 38.8 | Very low | 41.5 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | | | trans | -56.8 | 101.3 | 172.9 | -172.7 | 177 | 115.3 | 0 | 0 | 109.3 | K24 | E22-K24 PolarHBondContact O-N 2.88Å; E22-K24 VanDerWaalsContact OE1-CE 3.29Å; E22-K24 WeakPolarHBondContact OE1-CE 3.36Å; E22-K24 IonicContact OE1-NZ 3.78Å |
| 23 | A | 42.3 | Very low | 41.8 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -75.3 | 78.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V21 | V21-A23 PolarHBondContact O-N 2.97Š|
| 24 | K | 41 | Very low | 41.4 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | | | trans | -61.3 | 132.1 | 159.1 | -87.3 | 178.7 | 176 | 169.2 | 0 | 108.7 | E22 V26 | E22-K24 PolarHBondContact O-N 2.88Å; E22-K24 VanDerWaalsContact OE1-CE 3.29Å; E22-K24 WeakPolarHBondContact OE1-CE 3.36Å; E22-K24 IonicContact OE1-NZ 3.78Å; K24-V26 PolarHBondContact O-N 2.9Å |
| 25 | G | 35.2 | Very low | 41.3 | Very low | 83 Ų | 83 | 144.4 Ų | 144.4 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | -46.5 | 123.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 26 | V | 39.2 | Very low | 41.5 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | | | trans | -109.8 | 112.4 | 165.7 | 177.1 | 0 | 0 | 0 | 0 | 106.5 | K24 L28 | K24-V26 PolarHBondContact O-N 2.9Å; V26-L28 PolarHBondContact O-N 3.03Å |
| 27 | D | 41.5 | Very low | 41.5 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | trans | -50.1 | 106.3 | 169.2 | -113.2 | -56.3 | 0 | 0 | 0 | 109.8 | R29 | D27-R29 PolarHBondContact O-N 2.72Š|
| 28 | L | 42.5 | Very low | 41.2 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | | | trans | -76.9 | 70.7 | 175.4 | -71.4 | 172 | 0 | 0 | 0 | 109.6 | V26 A30 | V26-L28 PolarHBondContact O-N 3.03Å; L28-A30 PolarHBondContact O-N 3.04Å |
| 29 | R | 35.8 | Very low | 40.8 | Very low | 237 Ų | 237 | 136.7 Ų | 136.7 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | | | trans | -68.8 | 111.3 | 164.6 | -165.5 | 168.9 | -179.1 | 170.9 | -0.5 | 107.6 | D27 | D27-R29 PolarHBondContact O-N 2.72Š|
| 30 | A | 48 | Very low | 40.4 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 136.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | L28 | L28-A30 PolarHBondContact O-N 3.04Š|
| 31 | P | 45.5 | Very low | 40.4 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 147.1 | 179.8 | 27.2 | -32.5 | 0 | 0 | 0 | 110.7 | R33 | P31-R33 PolarHBondContact O-N 2.79Š|
| 32 | P | 41.9 | Very low | 40.1 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 130.4 | -179.8 | 25.8 | -31.8 | 0 | 0 | 0 | 109.9 | A34 | P32-A34 PolarHBondContact O-N 3.38Š|
| 33 | R | 46.4 | Very low | 40.1 | Very low | 251 Ų | 251 | 137.6 Ų | 137.6 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | | | trans | -52.2 | 104.7 | 175.4 | -91.8 | 179.5 | 163.8 | 171.5 | -4.2 | 110.1 | P31 R35 | P31-R33 PolarHBondContact O-N 2.79Å; R33-R35 PolarHBondContact O-N 2.93Å |
| 34 | A | 39.6 | Very low | 39.8 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | -62.8 | 119.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | P32 A36 | P32-A34 PolarHBondContact O-N 3.38Å; A34-A36 PolarHBondContact O-N 3.09Å; A34-A36 VanDerWaalsContact O-N 3.11Å |
| 35 | R | 40.1 | Very low | 39.7 | Very low | 246 Ų | 246 | 135.1 Ų | 135.1 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | | | trans | -62.2 | 109.5 | 170.1 | -85.2 | -178.7 | 171.2 | -152.1 | -1.4 | 108.1 | R33 | R33-R35 PolarHBondContact O-N 2.93Š|
| 36 | A | 40.8 | Very low | 40 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | | | trans | -61.7 | 140.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | A34 A38 | A34-A36 PolarHBondContact O-N 3.09Å; A34-A36 VanDerWaalsContact O-N 3.11Å; A36-A38 PolarHBondContact O-N 2.9Å |
| 37 | P | 38.5 | Very low | 39.9 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -59.9 | 137.6 | 176.6 | 24.4 | -31.9 | 0 | 0 | 0 | 110 | S39 | P37-S39 PolarHBondContact O-N 3.22Š|
| 38 | A | 35.6 | Very low | 39.8 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -52.1 | 106.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A36 | A36-A38 PolarHBondContact O-N 2.9Š|
| 39 | S | 37 | Very low | 39.7 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | -64.9 | 136.9 | 170.9 | -36.3 | 0 | 0 | 0 | 0 | 107.3 | P37 S41 | P37-S39 PolarHBondContact O-N 3.22Å; S39-S41 PolarHBondContact O-N 3.25Å |
| 40 | P | 38.7 | Very low | 39.9 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | | | trans | -53.4 | 132.7 | 175.2 | 20.1 | -28.6 | 0 | 0 | 0 | 108 | W42 | P40-W42 PolarHBondContact O-N 3.44Å; P40-W42 PolarHBondContact O-NE1 3.29Å |
| 41 | S | 35.7 | Very low | 39.4 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -71.9 | 111.2 | 178.7 | 51.4 | 0 | 0 | 0 | 0 | 108.8 | S39 T43 | S39-S41 PolarHBondContact O-N 3.25Å; S41-T43 PolarHBondContact O-N 2.97Å |
| 42 | W | 37.5 | Very low | 39 | Very low | 215 Ų | 215 | 134 Ų | 134 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | | | trans | -86.4 | 81.7 | 175.6 | -44.2 | -1.6 | 0 | 0 | 0 | 104.7 | P40 P44 | P40-W42 PolarHBondContact O-N 3.44Å; P40-W42 PolarHBondContact O-NE1 3.29Å; W42-P44 VanDerWaalsContact O-CD 3.25Å; W42-P44 WeakPolarHBondContact O-CD 3.17Å |
| 43 | T | 40.1 | Very low | 39 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 75% | 0.749 | S | S | * | * | | | trans | -69.2 | 116.2 | 175.9 | -2.1 | 0 | 0 | 0 | 0 | 107.4 | S41 C45 | S41-T43 PolarHBondContact O-N 2.97Å; T43-C45 PolarHBondContact O-N 3.47Å |
| 44 | P | 36.3 | Very low | 38.7 | Very low | 83 Ų | 83 | 130.8 Ų | 130.8 | 54% | 0.539 | 75% | 0.746 | S | S | . | * | | | trans | -66.8 | 122.2 | 172.3 | 26.8 | -29.3 | 0 | 0 | 0 | 107.8 | W42 L46 | W42-P44 VanDerWaalsContact O-CD 3.25Å; W42-P44 WeakPolarHBondContact O-CD 3.17Å; P44-L46 VanDerWaalsContact C-N 3.3Å; P44-L46 PolarHBondContact O-N 2.95Å |
| 45 | C | 37.4 | Very low | 38.9 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | | | trans | -63.2 | 94.1 | 168.4 | -64.5 | 0 | 0 | 0 | 0 | 108.4 | T43 | T43-C45 PolarHBondContact O-N 3.47Š|
| 46 | L | 41.8 | Very low | 38.9 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | trans | -74.9 | 140.1 | 167.1 | -66.2 | 173.3 | 0 | 0 | 0 | 108.1 | P44 L48 | P44-L46 VanDerWaalsContact C-N 3.3Å; P44-L46 PolarHBondContact O-N 2.95Å; L46-L48 PolarHBondContact O-N 3.29Å; L46-L48 VanDerWaalsContact O-N 3.13Å |
| 47 | P | 37.6 | Very low | 39 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | trans | -58.3 | 122.5 | 165.9 | 25.1 | -30.6 | 0 | 0 | 0 | 107.3 | V49 | P47-V49 PolarHBondContact O-N 3.33Š|
| 48 | L | 38.7 | Very low | 38.9 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | trans | -63.8 | 88.8 | 176.1 | -167.6 | 78.1 | 0 | 0 | 0 | 107.9 | L46 H50 | L46-L48 PolarHBondContact O-N 3.29Å; L46-L48 VanDerWaalsContact O-N 3.13Å; L48-H50 PolarHBondContact O-N 3.43Å; L48-H50 PolarHBondContact O-ND1 3.24Å |
| 49 | V | 41.2 | Very low | 39 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 67% | 0.673 | 75% | 0.745 | S | S | * | * | | | trans | -62.9 | 108.7 | 164.6 | -171.4 | 0 | 0 | 0 | 0 | 104.7 | P47 S51 | P47-V49 PolarHBondContact O-N 3.33Å; V49-S51 PolarHBondContact O-N 3.42Å |
| 50 | H | 38.9 | Very low | 39.1 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 60% | 0.597 | 75% | 0.754 | S | S | * | * | | | trans | -61 | 103 | 172.4 | -83.9 | 56.9 | 0 | 0 | 0 | 107.2 | L48 Y52 | L48-H50 PolarHBondContact O-N 3.43Å; L48-H50 PolarHBondContact O-ND1 3.24Å; H50-Y52 VanDerWaalsContact C-N 3.31Å; H50-Y52 HydrophobicContact CB-CD1 4.34Å; H50-Y52 HydrophobicContact CB-CE1 4.23Å; H50-Y52 WeakPolarHBondContact O-CD1 3.25Å; H50-Y52 VanDerWaalsContact O-CE1 3.24Å; H50-Y52 WeakPolarHBondContact O-CE1 3.13Å; H50-Y52 VanDerWaalsContact O-CZ 3.3Å; H50-Y52 PolarHBondContact O-N 3.21Å; H50-Y52 VanDerWaalsContact O-N 3.12Å |
| 51 | S | 38.9 | Very low | 39.1 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | -69.2 | 97.4 | 158.4 | -50.2 | 0 | 0 | 0 | 0 | 105.8 | V49 T53 | V49-S51 PolarHBondContact O-N 3.42Å; S51-T53 PolarHBondContact O-N 3.35Å |
| 52 | Y | 36.4 | Very low | 39.3 | Very low | 202 Ų | 202 | 136.5 Ų | 136.5 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | | | trans | -60.5 | 116.2 | 169.1 | -14.1 | -86.8 | 0 | 0 | 0 | 106.8 | H50 | H50-Y52 VanDerWaalsContact C-N 3.31Å; H50-Y52 HydrophobicContact CB-CD1 4.34Å; H50-Y52 HydrophobicContact CB-CE1 4.23Å; H50-Y52 WeakPolarHBondContact O-CD1 3.25Å; H50-Y52 VanDerWaalsContact O-CE1 3.24Å; H50-Y52 WeakPolarHBondContact O-CE1 3.13Å; H50-Y52 VanDerWaalsContact O-CZ 3.3Å; H50-Y52 PolarHBondContact O-N 3.21Å; H50-Y52 VanDerWaalsContact O-N 3.12Å |
| 53 | T | 42.6 | Very low | 39.4 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | trans | -68.3 | 130.1 | 170.8 | 43.7 | 0 | 0 | 0 | 0 | 108.6 | S51 E55 | S51-T53 PolarHBondContact O-N 3.35Å; T53-E55 PolarHBondContact O-N 3.19Å |
| 54 | E | 39 | Very low | 39.2 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -63.9 | 67.7 | 175.5 | -72 | -179.5 | 80.8 | 0 | 0 | 112 | | |
| 55 | E | 44.3 | Very low | 39 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | -142.8 | 10.9 | 176.1 | -70.4 | -166 | 101.6 | 0 | 0 | 116.1 | T53 | T53-E55 PolarHBondContact O-N 3.19Š|
| 56 | D | 39.6 | Very low | 39 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | trans | -129.7 | 78.9 | 170.8 | -150.6 | -114.4 | 0 | 0 | 0 | 111.6 | | |
| 57 | I | 44.2 | Very low | 38.4 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | trans | -81.8 | 112.2 | 170.7 | -64.7 | 163.5 | 0 | 0 | 0 | 106.9 | | |
| 58 | G | 34.8 | Very low | 37.9 | Very low | 53 Ų | 53 | 139.6 Ų | 139.6 | 55% | 0.546 | 77% | 0.774 | S | S | . | * | | | trans | 156.4 | 52.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 59 | N | 37.4 | Very low | 37.6 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | | | trans | -176.4 | 78.3 | 148.5 | -96.3 | -21.2 | 0 | 0 | 0 | 111.1 | | |
| 60 | T | 39.9 | Very low | 37.1 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | | | trans | -88.5 | 107.8 | 178.3 | -51.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 61 | A | 38 | Very low | 36.6 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | | | trans | -96.6 | 134.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | I63 | A61-I63 PolarHBondContact O-N 3.26Š|
| 62 | P | 39.9 | Very low | 36.5 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | -72.5 | 127.6 | -165.3 | 28.1 | -33.3 | 0 | 0 | 0 | 111.9 | V64 | P62-V64 PolarHBondContact O-N 3.28Š|
| 63 | I | 40.8 | Very low | 36.3 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -70.8 | 111.3 | 171.1 | -61.9 | 170.5 | 0 | 0 | 0 | 107.9 | A61 Q65 | A61-I63 PolarHBondContact O-N 3.26Å; I63-Q65 PolarHBondContact O-N 3.48Å |
| 64 | V | 35.5 | Very low | 35.9 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | -68 | 108.5 | 166.7 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | P62 | P62-V64 PolarHBondContact O-N 3.28Š|
| 65 | Q | 32 | Very low | 35.7 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | | | trans | -68.8 | 130.2 | 163 | -117.6 | -179.1 | 3.1 | 0 | 0 | 109.2 | I63 | I63-Q65 PolarHBondContact O-N 3.48Š|
| 66 | P | 36.7 | Very low | 35.1 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -92.4 | 98.3 | 154.2 | 14.3 | 2.3 | 0 | 0 | 0 | 109 | | |
| 67 | Q | 29.4 | Very low | 35 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -75 | 106.1 | 149.3 | -77.8 | -176.7 | -37.9 | 0 | 0 | 107.9 | | |
| 68 | S | 28.7 | Very low | 34.5 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -177.1 | 115.2 | 155.6 | -100 | 0 | 0 | 0 | 0 | 112.9 | | |
| 69 | A | 30.6 | Very low | 34.7 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | 177.5 | 63.1 | 145.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 70 | V | 31.5 | Very low | 34.3 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | | | | 29.5 | 97.4 | 84.5 | -169.5 | 0 | 0 | 0 | 0 | 113 | | |
| 71 | Q | 27.6 | Very low | 34.5 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | 19.7 | 110.9 | 144.5 | -65 | -166.8 | -29.1 | 0 | 0 | 118.6 | | |
| 72 | Q | 37.3 | Very low | 34.5 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -146.7 | 92.6 | 151.6 | -66.7 | -171.6 | -27.2 | 0 | 0 | 107.4 | | |
| 73 | S | 33 | Very low | 34.2 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | | 80.9 | 115.6 | 96 | 66 | 0 | 0 | 0 | 0 | 114.5 | | |
| 74 | L | 34.2 | Very low | 33.9 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | trans | -63 | 164.5 | 174.7 | -70 | 90.5 | 0 | 0 | 0 | 112.2 | | |
| 75 | P | 35.5 | Very low | 33.8 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | | | | -133 | 135.9 | 94.4 | 34.2 | -21.5 | 0 | 0 | 0 | 110.2 | | |
| 76 | G | 30.1 | Very low | 34.1 | Very low | 53 Ų | 53 | 134.4 Ų | 134.4 | 55% | 0.546 | 81% | 0.807 | S | S | . | * | | | | 97 | 85.5 | 56.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 77 | V | 38.1 | Very low | 33.8 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | | | trans | -153.1 | 118.4 | 147.8 | -87.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 78 | H | 33.3 | Very low | 34.1 | Very low | 181 Ų | 181 | 131 Ų | 131 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -66.2 | 139.1 | -179 | -75 | -124.9 | 0 | 0 | 0 | 111.8 | | |
| 79 | S | 38.4 | Very low | 34.5 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | | 176.5 | 110.2 | 117.8 | -77.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 80 | G | 31.1 | Very low | 34.7 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | 77.5 | 71.2 | 139.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 81 | L | 42.9 | Very low | 34.8 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -127.9 | 102.3 | 154.9 | -76.9 | 168.1 | 0 | 0 | 0 | 108.9 | L83 | L81-L83 PolarHBondContact O-N 3.21Š|
| 82 | N | 37.4 | Very low | 34.9 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -58 | 116.3 | 167.9 | -108.1 | -55.9 | 0 | 0 | 0 | 108.3 | S84 | N82-S84 PolarHBondContact O-N 3.38Š|
| 83 | L | 33.9 | Very low | 34.6 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -66.1 | 119.4 | 170.3 | -87.8 | 69.8 | 0 | 0 | 0 | 108.3 | L81 | L81-L83 PolarHBondContact O-N 3.21Š|
| 84 | S | 35.2 | Very low | 34.5 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | trans | -132.7 | 93.2 | 156.1 | -65.1 | 0 | 0 | 0 | 0 | 106.6 | N82 P86 | N82-S84 PolarHBondContact O-N 3.38Å; S84-P86 WeakPolarHBondContact O-CD 2.85Å |
| 85 | T | 33.4 | Very low | 34.6 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | -54.6 | 137.1 | 165.1 | -18 | 0 | 0 | 0 | 0 | 108.8 | | |
| 86 | P | 37.6 | Very low | 34.8 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -124.9 | 121 | 143.5 | 9.2 | 12.9 | 0 | 0 | 0 | 111.3 | S84 | S84-P86 WeakPolarHBondContact O-CD 2.85Š|
| 87 | S | 31.2 | Very low | 35.3 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | | | trans | -26.9 | 155.5 | 154.9 | -145.1 | 0 | 0 | 0 | 0 | 116.2 | V89 | S87-V89 PolarHBondContact O-N 2.8Š|
| 88 | P | 34.6 | Very low | 35.3 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | -79.3 | 120.5 | -166.6 | 32.8 | -28.2 | 0 | 0 | 0 | 110.8 | | |
| 89 | V | 38.8 | Very low | 35.5 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | -132.8 | 112.8 | 169.7 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | S87 | S87-V89 PolarHBondContact O-N 2.8Š|
| 90 | A | 33.9 | Very low | 35.5 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | | | trans | 31.6 | 119.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 91 | S | 32.8 | Very low | 35.7 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 28.8 | 94.6 | 138.2 | -56.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 92 | G | 30.4 | Very low | 35.4 | Very low | 65 Ų | 65 | 132.4 Ų | 132.4 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | trans | 135.3 | 135.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 93 | L | 31.5 | Very low | 35.2 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | 86 | 73.7 | 175.3 | -42 | 178.6 | 0 | 0 | 0 | 114.8 | S95 | L93-S95 PolarHBondContact O-N 3.13Š|
| 94 | Y | 30.7 | Very low | 35.1 | Very low | 243 Ų | 243 | 134.6 Ų | 134.6 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | | | trans | -61.1 | 103.9 | 155.5 | -93.6 | -91.5 | 0 | 0 | 0 | 108.7 | | |
| 95 | S | 36.9 | Very low | 34.9 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78 | 123.5 | 166.3 | -61 | 0 | 0 | 0 | 0 | 108.1 | L93 | L93-S95 PolarHBondContact O-N 3.13Š|
| 96 | T | 38.4 | Very low | 35 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 137.4 | -179.9 | 43.2 | 0 | 0 | 0 | 0 | 110.9 | I98 | T96-I98 PolarHBondContact O-N 3.46Š|
| 97 | P | 41.1 | Very low | 35 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 118 | 172.5 | 27.4 | -30.7 | 0 | 0 | 0 | 109.6 | M99 | P97-M99 PolarHBondContact O-N 3.06Š|
| 98 | I | 37.2 | Very low | 35.4 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -70.3 | 109.8 | 168.4 | -59.9 | 170 | 0 | 0 | 0 | 107 | T96 | T96-I98 PolarHBondContact O-N 3.46Š|
| 99 | M | 38.6 | Very low | 35.5 | Very low | 173 Ų | 173 | 140 Ų | 140 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | | | trans | -106 | 121.7 | 172.8 | -160.3 | 142 | 69.7 | 0 | 0 | 108.9 | P97 S101 | P97-M99 PolarHBondContact O-N 3.06Å; M99-S101 PolarHBondContact O-N 3Å |
| 100 | P | 38.5 | Very low | 35.2 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | | | trans | -79.6 | 116.2 | -177.2 | 30.4 | -30.2 | 0 | 0 | 0 | 109.8 | I102 | P100-I102 PolarHBondContact O-N 2.86Š|
| 101 | S | 35.8 | Very low | 35.1 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | | | trans | -77.3 | 111.5 | 170.9 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | M99 C103 | M99-S101 PolarHBondContact O-N 3Å; S101-C103 VanDerWaalsContact C-N 3.34Å; S101-C103 PolarHBondContact O-N 3.28Å |
| 102 | I | 35.4 | Very low | 35.2 | Very low | 150 Ų | 150 | 137 Ų | 137 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -90.7 | 66.7 | 177.4 | -37.3 | 167.5 | 0 | 0 | 0 | 108.2 | P100 R104 | P100-I102 PolarHBondContact O-N 2.86Å; I102-R104 VanDerWaalsContact C-N 3.33Å; I102-R104 PolarHBondContact O-N 3.4Å |
| 103 | C | 34.2 | Very low | 35.5 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | -90.2 | 78.1 | 167.8 | -73.1 | 0 | 0 | 0 | 0 | 109.5 | S101 G105 | S101-C103 VanDerWaalsContact C-N 3.34Å; S101-C103 PolarHBondContact O-N 3.28Å; C103-G105 PolarHBondContact O-N 3.23Å |
| 104 | R | 31.9 | Very low | 35.9 | Very low | 244 Ų | 244 | 139.8 Ų | 139.8 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -75.2 | 110.5 | 169.5 | -164.8 | 178.8 | -168 | 170.9 | 2.7 | 108.1 | I102 | I102-R104 VanDerWaalsContact C-N 3.33Å; I102-R104 PolarHBondContact O-N 3.4Å |
| 105 | G | 30.6 | Very low | 36 | Very low | 62 Ų | 62 | 131.7 Ų | 131.7 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | | | trans | 151.7 | 94.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C103 | C103-G105 PolarHBondContact O-N 3.23Š|
| 106 | H | 34.1 | Very low | 36 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | | | | -173.9 | 128.5 | 112.7 | -108.7 | -89.7 | 0 | 0 | 0 | 110.1 | | |
| 107 | K | 37.6 | Very low | 35.9 | Very low | 203 Ų | 203 | 132.4 Ų | 132.4 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -94.3 | 115 | -174.3 | -162.8 | -171.3 | -168.3 | -167.3 | 0 | 107.2 | | |
| 108 | A | 39.8 | Very low | 35.5 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | -168 | 91.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 109 | T | 36.4 | Very low | 35.5 | Very low | 144 Ų | 144 | 129 Ų | 129 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | | 60.6 | 113 | 87.2 | -35.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 110 | G | 33.1 | Very low | 35 | Very low | 69 Ų | 69 | 129.6 Ų | 129.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 108.8 | 91.8 | 164 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 111 | A | 32.6 | Very low | 35.3 | Very low | 106 Ų | 106 | 136 Ų | 136 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | | | | 60.5 | 116.2 | 102.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 112 | S | 34.8 | Very low | 35.1 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | cis | -166.3 | 142.5 | 43.7 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 113 | I | 36.9 | Very low | 35.3 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | -86.4 | 148.2 | 167.8 | -60.5 | 172.5 | 0 | 0 | 0 | 106.8 | | |
| 114 | P | 39.5 | Very low | 35.1 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | | | | -159.6 | 158.7 | 66.3 | 38.1 | -13.4 | 0 | 0 | 0 | 120.7 | | |
| 115 | G | 33.2 | Very low | 35.8 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | 178 | 77.5 | 168 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 116 | N | 35.6 | Very low | 36.5 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | | | trans | 8.4 | 119.4 | 144.9 | -167.2 | 22.7 | 0 | 0 | 0 | 116.9 | | |
| 117 | S | 36.7 | Very low | 36.9 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | | | | 178.3 | 120 | 77.7 | -48.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 118 | S | 32.3 | Very low | 36.8 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | | 74.8 | 137.3 | 103.6 | -157.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 119 | P | 37.4 | Very low | 36.6 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | trans | -119.4 | 88 | -132.8 | 39.1 | -26.3 | 0 | 0 | 0 | 114.1 | | |
| 120 | H | 29.7 | Very low | 36.4 | Very low | 185 Ų | 185 | 128.2 Ų | 128.2 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | -159.1 | 101.1 | 164.7 | -78.5 | -67.6 | 0 | 0 | 0 | 111.2 | | |
| 121 | R | 43.4 | Very low | 36.6 | Very low | 236 Ų | 236 | 131.2 Ų | 131.2 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | | | trans | -146.3 | 108.1 | 147.6 | -77.7 | -153.8 | 174.7 | 174.3 | 0.4 | 109.6 | Q123 | R121-Q123 PolarHBondContact O-N 3.38Š|
| 122 | M | 31.2 | Very low | 36.6 | Very low | 199 Ų | 199 | 132.1 Ų | 132.1 | 98% | 0.98 | 76% | 0.763 | S | S | * | * | | | trans | -55.8 | 107.4 | 159.7 | -72.9 | -160.1 | -75.1 | 0 | 0 | 107.7 | | |
| 123 | Q | 40 | Very low | 36.4 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | | | trans | -83 | 119.2 | 168.1 | -87.1 | 177.9 | -7.9 | 0 | 0 | 108 | R121 | R121-Q123 PolarHBondContact O-N 3.38Š|
| 124 | S | 31.4 | Very low | 36 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | trans | -55.2 | 133.4 | 172.1 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | L126 F127 | S124-L126 PolarHBondContact O-N 3.36Å; S124-F127 PolarHBondContact O-N 2.97Å |
| 125 | P | 45.7 | Very low | 35.5 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 2.3 | -173 | 28.2 | -34.6 | 0 | 0 | 0 | 114.1 | | |
| 126 | L | 45.4 | Very low | 35.4 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -19 | -176.5 | -70.9 | 167 | 0 | 0 | 0 | 113.6 | S124 | S124-L126 PolarHBondContact O-N 3.36Š|
| 127 | F | 42.7 | Very low | 35.2 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | trans | -155 | 79.3 | 176.1 | -65.6 | -78.4 | 0 | 0 | 0 | 112.8 | S124 | S124-F127 PolarHBondContact O-N 2.97Š|
| 128 | P | 34.5 | Very low | 35 | Very low | 90 Ų | 90 | 139 Ų | 139 | 58% | 0.584 | 77% | 0.771 | S | S | * | * | | | trans | -90.3 | 115.6 | 170.9 | 16.2 | 0.7 | 0 | 0 | 0 | 110.3 | | |
| 129 | G | 36.9 | Very low | 35.1 | Very low | 54 Ų | 54 | 139.1 Ų | 139.1 | 56% | 0.557 | 77% | 0.768 | S | S | * | * | | | trans | 119 | 36.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | I131 | G129-I131 PolarHBondContact O-N 3.31Š|
| 130 | S | 30.8 | Very low | 35 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | | | trans | -64.8 | 78.4 | 152.3 | 159.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 131 | I | 38.4 | Very low | 35 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | | | trans | -143.6 | 98.3 | 171 | -51.3 | 178.1 | 0 | 0 | 0 | 109.2 | G129 | G129-I131 PolarHBondContact O-N 3.31Š|
| 132 | V | 33 | Very low | 34.3 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | | | trans | 56.3 | 114.8 | 133.4 | -169.6 | 0 | 0 | 0 | 0 | 118.8 | N134 | V132-N134 PolarHBondContact O-N 3.15Å; V132-N134 VanDerWaalsContact O-N 3.12Å |
| 133 | H | 30.4 | Very low | 35 | Very low | 187 Ų | 187 | 131.3 Ų | 131.3 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | | | trans | -13.7 | 96.6 | 153 | -69.5 | 82.1 | 0 | 0 | 0 | 115.9 | | |
| 134 | N | 27.3 | Very low | 35.2 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | trans | -173.5 | 95.7 | 145.7 | -121.7 | -11.2 | 0 | 0 | 0 | 110.2 | V132 | V132-N134 PolarHBondContact O-N 3.15Å; V132-N134 VanDerWaalsContact O-N 3.12Å |
| 135 | A | 29.9 | Very low | 36.1 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | | | trans | -153.7 | 129.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q137 | A135-Q137 PolarHBondContact O-N 2.68Š|
| 136 | P | 30.3 | Very low | 36.6 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | trans | -67.9 | 120.7 | -169.6 | 28 | -32.9 | 0 | 0 | 0 | 110.2 | T138 | P136-T138 VanDerWaalsContact C-N 3.33Å; P136-T138 PolarHBondContact O-N 3.21Å |
| 137 | Q | 32.8 | Very low | 37.2 | Very low | 195 Ų | 195 | 129.5 Ų | 129.5 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | | | trans | -76.2 | 87 | 172.6 | -67.7 | -174.7 | -10.6 | 0 | 0 | 109.2 | A135 | A135-Q137 PolarHBondContact O-N 2.68Š|
| 138 | T | 31.4 | Very low | 37.9 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | | | trans | -63.7 | 129.4 | 163.2 | 26.1 | 0 | 0 | 0 | 0 | 109.8 | P136 T140 | P136-T138 VanDerWaalsContact C-N 3.33Å; P136-T138 PolarHBondContact O-N 3.21Å; T138-T140 PolarHBondContact O-N 2.86Å |
| 139 | P | 34.2 | Very low | 39.1 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | | | trans | -78 | 111.4 | 179.7 | 30.6 | -30.1 | 0 | 0 | 0 | 109.3 | L141 | P139-L141 PolarHBondContact O-N 3.17Š|
| 140 | T | 35.4 | Very low | 39.9 | Very low | 133 Ų | 133 | 122.8 Ų | 122.8 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | | | trans | -76.4 | 95.2 | 173.3 | -40 | 0 | 0 | 0 | 0 | 109.3 | T138 | T138-T140 PolarHBondContact O-N 2.86Š|
| 141 | L | 29.3 | Very low | 40.7 | Very low | 143 Ų | 143 | 119.2 Ų | 119.2 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | | | trans | -54.4 | 135.6 | 160.4 | -84.6 | 154.4 | 0 | 0 | 0 | 110.3 | P139 | P139-L141 PolarHBondContact O-N 3.17Š|
| 142 | L | 29.8 | Very low | 41.5 | Very low | 152 Ų | 152 | 114.4 Ų | 114.4 | 80% | 0.796 | 66% | 0.661 | S | S | * | * | | | trans | 42.9 | 109.8 | 156.2 | -76 | 85.7 | 0 | 0 | 0 | 118.6 | | |
| 143 | T | 46.6 | Very low | 42.4 | Very low | 132 Ų | 132 | 112.9 Ų | 112.9 | 81% | 0.81 | 66% | 0.655 | S | S | * | * | | | trans | -155.8 | 131.6 | 135.6 | 14.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 144 | T | 42.2 | Very low | 43.3 | Very low | 131 Ų | 131 | 105.4 Ų | 105.4 | 80% | 0.804 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 131.1 | 179 | 38.7 | 0 | 0 | 0 | 0 | 111 | M146 | T144-M146 PolarHBondContact O-N 3.09Š|
| 145 | P | 50.6 | Low | 44.3 | Very low | 121 Ų | 121 | 99.2 Ų | 99.2 | 79% | 0.786 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -61 | 131.2 | 179.8 | 25.1 | -33 | 0 | 0 | 0 | 110 | T147 | P145-T147 PolarHBondContact O-N 3.12Š|
| 146 | M | 56.5 | Low | 45.4 | Very low | 97 Ų | 97 | 105.3 Ų | 105.3 | 48% | 0.478 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 133.2 | 172 | -70.9 | -179.2 | -75.9 | 0 | 0 | 109.4 | T144 H150 | T144-M146 PolarHBondContact O-N 3.09Å; M146-H150 HydrophobicContact CB-CB 4.03Å; M146-H150 PolarHBondContact SD-CD2 3.31Å; M146-H150 PolarHBondContact SD-NE2 2.93Å; M146-H150 VanDerWaalsContact SD-NE2 3.38Å |
| 147 | T | 59.1 | Low | 46.1 | Very low | 98 Ų | 98 | 102 Ų | 102 | 60% | 0.601 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.2 | -179.7 | 59 | 0 | 0 | 0 | 0 | 110.5 | P145 S149 H150 | P145-T147 PolarHBondContact O-N 3.12Å; T147-S149 PolarHBondContact O-N 3.18Å; T147-H150 WeakPolarHBondContact O-CB 3.24Å; T147-H150 PolarHBondContact O-N 2.82Å |
| 148 | L | 55.6 | Low | 46.8 | Very low | 107 Ų | 107 | 96.5 Ų | 96.5 | 56% | 0.56 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -49 | -32.5 | 177.7 | -80.9 | 132.3 | 0 | 0 | 0 | 112.3 | H150 Y151 L155 | L148-H150 PolarHBondContact O-N 3.31Å; L148-Y151 PolarHBondContact O-N 3.12Å; L148-L155 HydrophobicContact CB-CD1 3.54Å; L148-L155 HydrophobicContact CD2-CD1 3.37Å; L148-L155 HydrophobicContact CD2-CD2 3.54Å; L148-L155 HydrophobicContact CD2-CG 4.09Å; L148-L155 HydrophobicContact CG-CD1 4Å; L148-L155 WeakPolarHBondContact O-CD1 3.5Å |
| 149 | S | 60.4 | Low | 47.8 | Very low | 62 Ų | 62 | 96.6 Ų | 96.6 | 43% | 0.434 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -57.7 | -21.4 | 174.7 | -50.2 | 0 | 0 | 0 | 0 | 114.7 | T147 Y151 G152 R177 | T147-S149 PolarHBondContact O-N 3.18Å; S149-Y151 VanDerWaalsContact C-N 3.29Å; S149-G152 PolarHBondContact O-N 3.05Å; S149-R177 PolarHBondContact O-NE 2.9Å |
| 150 | H | 54 | Low | 48.3 | Very low | 27 Ų | 27 | 94.7 Ų | 94.7 | 13% | 0.125 | 55% | 0.554 | C | S | . | * | G | 310 helix | trans | -70.8 | -26 | 176.9 | -152.8 | -31.8 | 0 | 0 | 0 | 112.9 | M146 T147 L148 R177 | M146-H150 HydrophobicContact CB-CB 4.03Å; M146-H150 PolarHBondContact SD-CD2 3.31Å; M146-H150 PolarHBondContact SD-NE2 2.93Å; M146-H150 VanDerWaalsContact SD-NE2 3.38Å; T147-H150 WeakPolarHBondContact O-CB 3.24Å; T147-H150 PolarHBondContact O-N 2.82Å; L148-H150 PolarHBondContact O-N 3.31Å; H150-R177 WeakPolarHBondContact CE1-CB 3.38Å; H150-R177 PolarHBondContact CE1-O 3.24Å; H150-R177 WeakPolarHBondContact ND1-CD 3.48Å |
| 151 | Y | 47.7 | Very low | 48.7 | Very low | 57 Ų | 57 | 96.6 Ų | 96.6 | 22% | 0.224 | 55% | 0.551 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | -7.6 | 178.9 | -60.4 | -70.5 | 0 | 0 | 0 | 113.1 | L148 S149 G154 L171 | L148-Y151 PolarHBondContact O-N 3.12Å; S149-Y151 VanDerWaalsContact C-N 3.29Å; Y151-G154 PolarHBondContact O-N 3.01Å; Y151-G154 VanDerWaalsContact O-N 3.1Å; Y151-L171 HydrophobicContact CD1-CB 3.46Å; Y151-L171 VanDerWaalsContact CD1-CB 3.46Å; Y151-L171 HydrophobicContact CD1-CD1 3.87Å; Y151-L171 HydrophobicContact CD1-CD2 4.21Å; Y151-L171 HydrophobicContact CD1-CG 4.06Å; Y151-L171 HydrophobicContact CE1-CB 3.23Å; Y151-L171 HydrophobicContact CE1-CD1 3.8Å; Y151-L171 HydrophobicContact CE1-CG 4.08Å; Y151-L171 HydrophobicContact CG-CD1 4.32Å |
| 152 | G | 55.2 | Low | 49 | Very low | 31 Ų | 31 | 93.6 Ų | 93.6 | 32% | 0.32 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 51.3 | -143 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S149 G154 L155 | S149-G152 PolarHBondContact O-N 3.05Å; G152-G154 PolarHBondContact O-N 2.8Å; G152-L155 PolarHBondContact O-N 2.98Å; G152-L155 VanDerWaalsContact O-N 3.13Å |
| 153 | S | 51.7 | Low | 49.5 | Very low | 93 Ų | 93 | 89.1 Ų | 89.1 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -14.8 | 176.7 | 49.1 | 0 | 0 | 0 | 0 | 114.6 | L155 R156 A157 | S153-L155 VanDerWaalsContact C-N 3.25Å; S153-L155 PolarHBondContact O-N 3.06Å; S153-R156 PolarHBondContact O-N 3.43Å; S153-A157 PolarHBondContact O-N 3.27Å |
| 154 | G | 49.1 | Very low | 49.2 | Very low | 30 Ų | 30 | 91.9 Ų | 91.9 | 31% | 0.309 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -28.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y151 G152 A157 M158 | Y151-G154 PolarHBondContact O-N 3.01Å; Y151-G154 VanDerWaalsContact O-N 3.1Å; G152-G154 PolarHBondContact O-N 2.8Å; G154-A157 PolarHBondContact O-N 3.05Å; G154-M158 PolarHBondContact O-N 2.8Å |
| 155 | L | 49.3 | Very low | 48.9 | Very low | 37 Ų | 37 | 90.4 Ų | 90.4 | 19% | 0.194 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -72.7 | -35.1 | 174.9 | -76.7 | 164 | 0 | 0 | 0 | 113 | L148 G152 S153 A157 M158 T159 | L148-L155 HydrophobicContact CB-CD1 3.54Å; L148-L155 HydrophobicContact CD2-CD1 3.37Å; L148-L155 HydrophobicContact CD2-CD2 3.54Å; L148-L155 HydrophobicContact CD2-CG 4.09Å; L148-L155 HydrophobicContact CG-CD1 4Å; L148-L155 WeakPolarHBondContact O-CD1 3.5Å; G152-L155 PolarHBondContact O-N 2.98Å; G152-L155 VanDerWaalsContact O-N 3.13Å; S153-L155 VanDerWaalsContact C-N 3.25Å; S153-L155 PolarHBondContact O-N 3.06Å; L155-A157 PolarHBondContact O-N 3Å; L155-M158 HydrophobicContact CD2-CE 3.5Å; L155-M158 HydrophobicContact CG-CE 4.4Å; L155-M158 PolarHBondContact O-N 3.01Å; L155-M158 VanDerWaalsContact O-N 3.11Å; L155-T159 PolarHBondContact O-N 2.98Å; L155-T159 PolarHBondContact O-OG1 3.37Å |
| 156 | R | 52.6 | Low | 48.2 | Very low | 212 Ų | 212 | 90.2 Ų | 90.2 | 80% | 0.8 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.5 | -32.3 | 175.5 | -174.7 | 176.9 | -72.5 | -139.8 | -0.7 | 111.1 | S153 A160 | S153-R156 PolarHBondContact O-N 3.43Å; R156-A160 PolarHBondContact O-N 3.13Å |
| 157 | A | 44.9 | Very low | 47.2 | Very low | 51 Ų | 51 | 89.7 Ų | 89.7 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.2 | -43.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S153 G154 L155 T159 A160 F161 | S153-A157 PolarHBondContact O-N 3.27Å; G154-A157 PolarHBondContact O-N 3.05Å; L155-A157 PolarHBondContact O-N 3Å; A157-T159 PolarHBondContact O-N 3.22Å; A157-A160 PolarHBondContact O-N 3.26Å; A157-A160 VanDerWaalsContact O-N 3.16Å; A157-F161 VanDerWaalsContact O-CD2 3.32Å; A157-F161 WeakPolarHBondContact O-CD2 3.44Å; A157-F161 PolarHBondContact O-N 3.27Å |
| 158 | M | 48.2 | Very low | 46.4 | Very low | 79 Ų | 79 | 89 Ų | 89 | 39% | 0.389 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71 | -26.4 | 179.1 | -66.9 | -163.7 | -56.2 | 0 | 0 | 114.3 | G154 L155 A160 L171 | G154-M158 PolarHBondContact O-N 2.8Å; L155-M158 HydrophobicContact CD2-CE 3.5Å; L155-M158 HydrophobicContact CG-CE 4.4Å; L155-M158 PolarHBondContact O-N 3.01Å; L155-M158 VanDerWaalsContact O-N 3.11Å; M158-A160 VanDerWaalsContact C-N 3.31Å; M158-L171 HydrophobicContact CE-CD1 3.81Å; M158-L171 HydrophobicContact CE-CD2 3.8Å; M158-L171 HydrophobicContact CE-CG 4.39Å; M158-L171 HydrophobicContact SD-CD1 4.38Å; M158-L171 HydrophobicContact SD-CD2 3.86Å |
| 159 | T | 51.2 | Low | 45.8 | Very low | 117 Ų | 117 | 89.6 Ų | 89.6 | 72% | 0.718 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74 | -23.8 | 171.9 | -43.3 | 0 | 0 | 0 | 0 | 112.2 | L155 A157 | L155-T159 PolarHBondContact O-N 2.98Å; L155-T159 PolarHBondContact O-OG1 3.37Å; A157-T159 PolarHBondContact O-N 3.22Å |
| 160 | A | 44.1 | Very low | 45 | Very low | 79 Ų | 79 | 94.2 Ų | 94.2 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -80.3 | -23 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R156 A157 M158 | R156-A160 PolarHBondContact O-N 3.13Å; A157-A160 PolarHBondContact O-N 3.26Å; A157-A160 VanDerWaalsContact O-N 3.16Å; M158-A160 VanDerWaalsContact C-N 3.31Å |
| 161 | F | 44.8 | Very low | 44.7 | Very low | 172 Ų | 172 | 95.3 Ų | 95.3 | 75% | 0.754 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -107.9 | 75.5 | 174.4 | -68 | -82 | 0 | 0 | 0 | 109.6 | A157 G163 | A157-F161 VanDerWaalsContact O-CD2 3.32Å; A157-F161 WeakPolarHBondContact O-CD2 3.44Å; A157-F161 PolarHBondContact O-N 3.27Å; F161-G163 PolarHBondContact O-N 3.1Å |
| 162 | G | 35.7 | Very low | 44.7 | Very low | 81 Ų | 81 | 95.8 Ų | 95.8 | 84% | 0.835 | 61% | 0.611 | S | S | * | * | | | trans | -39.3 | 111.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 163 | G | 39.6 | Very low | 44.2 | Very low | 58 Ų | 58 | 95 Ų | 95 | 60% | 0.598 | 60% | 0.601 | S | S | * | * | | | trans | 170.7 | 59 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F161 S165 | F161-G163 PolarHBondContact O-N 3.1Å; G163-S165 PolarHBondContact O-N 2.99Å |
| 164 | I | 40.4 | Very low | 43.8 | Very low | 189 Ų | 189 | 93 Ų | 93 | 97% | 0.969 | 58% | 0.583 | S | S | * | * | | | trans | -77.6 | 65 | 157.8 | 47.5 | 159 | 0 | 0 | 0 | 109.2 | | |
| 165 | S | 36.6 | Very low | 44 | Very low | 100 Ų | 100 | 98.6 Ų | 98.6 | 70% | 0.699 | 61% | 0.605 | S | S | * | * | | | trans | -141.2 | 120.1 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 106.8 | G163 | G163-S165 PolarHBondContact O-N 2.99Š|
| 166 | S | 35.9 | Very low | 44.1 | Very low | 117 Ų | 117 | 107.6 Ų | 107.6 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 75.9 | 135.3 | -170.3 | 78.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 167 | A | 36.2 | Very low | 44.2 | Very low | 87 Ų | 87 | 102.5 Ų | 102.5 | 72% | 0.719 | 62% | 0.618 | S | S | * | * | | | trans | -47.2 | 140.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P169 | A167-P169 WeakPolarHBondContact O-CD 3.4Å; A167-P169 VanDerWaalsContact O-N 3.17Å |
| 168 | P | 42.2 | Very low | 44.6 | Very low | 84 Ų | 84 | 105.1 Ų | 105.1 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | | | trans | -61.2 | 123 | -179 | 23.2 | -30.2 | 0 | 0 | 0 | 109.7 | N170 L171 | P168-N170 PolarHBondContact O-N 3.48Å; P168-L171 HydrophobicContact CB-CD1 3.62Å; P168-L171 HydrophobicContact CB-CG 4.11Å; P168-L171 HydrophobicContact CG-CD1 4.23Å |
| 169 | P | 43.1 | Very low | 44.8 | Very low | 118 Ų | 118 | 107.4 Ų | 107.4 | 77% | 0.766 | 63% | 0.63 | S | S | * | * | | | trans | -65 | 111.4 | 172.6 | 26.2 | -30.3 | 0 | 0 | 0 | 107.1 | A167 L171 | A167-P169 WeakPolarHBondContact O-CD 3.4Å; A167-P169 VanDerWaalsContact O-N 3.17Å; P169-L171 PolarHBondContact O-N 2.93Å |
| 170 | N | 42.7 | Very low | 45 | Very low | 159 Ų | 159 | 104.9 Ų | 104.9 | 85% | 0.85 | 62% | 0.616 | S | S | * | * | | | trans | 25.3 | 70.4 | 164.3 | -150.2 | -25.2 | 0 | 0 | 0 | 113.2 | P168 A172 | P168-N170 PolarHBondContact O-N 3.48Å; N170-A172 VanDerWaalsContact C-N 3.28Å; N170-A172 PolarHBondContact O-N 3.19Å |
| 171 | L | 47.7 | Very low | 45.6 | Very low | 50 Ų | 50 | 110.8 Ų | 110.8 | 26% | 0.262 | 63% | 0.627 | S | S | . | * | | | trans | -64.4 | 96.3 | 176.7 | -81.9 | 158.7 | 0 | 0 | 0 | 107.4 | Y151 M158 P168 P169 A173 | Y151-L171 HydrophobicContact CD1-CB 3.46Å; Y151-L171 VanDerWaalsContact CD1-CB 3.46Å; Y151-L171 HydrophobicContact CD1-CD1 3.87Å; Y151-L171 HydrophobicContact CD1-CD2 4.21Å; Y151-L171 HydrophobicContact CD1-CG 4.06Å; Y151-L171 HydrophobicContact CE1-CB 3.23Å; Y151-L171 HydrophobicContact CE1-CD1 3.8Å; Y151-L171 HydrophobicContact CE1-CG 4.08Å; Y151-L171 HydrophobicContact CG-CD1 4.32Å; M158-L171 HydrophobicContact CE-CD1 3.81Å; M158-L171 HydrophobicContact CE-CD2 3.8Å; M158-L171 HydrophobicContact CE-CG 4.39Å; M158-L171 HydrophobicContact SD-CD1 4.38Å; M158-L171 HydrophobicContact SD-CD2 3.86Å; P168-L171 HydrophobicContact CB-CD1 3.62Å; P168-L171 HydrophobicContact CB-CG 4.11Å; P168-L171 HydrophobicContact CG-CD1 4.23Å; P169-L171 PolarHBondContact O-N 2.93Å; L171-A173 PolarHBondContact O-N 3.36Å |
| 172 | A | 47.9 | Very low | 46 | Very low | 67 Ų | 67 | 109.4 Ų | 109.4 | 55% | 0.554 | 63% | 0.627 | S | S | * | * | | | trans | -52.4 | 119.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | N170 N174 | N170-A172 VanDerWaalsContact C-N 3.28Å; N170-A172 PolarHBondContact O-N 3.19Å; A172-N174 PolarHBondContact O-N 3.21Å |
| 173 | A | 44.9 | Very low | 46.9 | Very low | 14 Ų | 14 | 110 Ų | 110 | 12% | 0.116 | 62% | 0.618 | C | S | . | * | | | trans | -48.2 | 138.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | L171 L175 H178 | L171-A173 PolarHBondContact O-N 3.36Å; A173-L175 PolarHBondContact O-N 2.85Å; A173-L175 VanDerWaalsContact O-N 3.17Å; A173-H178 PolarHBondContact O-CD2 3Å; A173-H178 PolarHBondContact O-NE2 3.02Å |
| 174 | N | 42.2 | Very low | 47.6 | Very low | 51 Ų | 51 | 111.3 Ų | 111.3 | 27% | 0.273 | 62% | 0.616 | S | S | . | * | | | trans | -42.4 | 132.2 | 172.3 | -173.2 | -61.3 | 0 | 0 | 0 | 108.2 | A172 R176 R177 H178 | A172-N174 PolarHBondContact O-N 3.21Å; N174-R176 PolarHBondContact O-N 3.11Å; N174-R176 WeakPolarHBondContact OD1-CB 3.2Å; N174-R176 VanDerWaalsContact OD1-CG 3.23Å; N174-R176 WeakPolarHBondContact OD1-CG 3.15Å; N174-R176 PolarHBondContact OD1-N 3.44Å; N174-R176 VanDerWaalsContact OD1-N 3.09Å; N174-R177 CarbonylContact O-C 3.53Å; N174-R177 WeakPolarHBondContact O-CA 3.23Å; N174-R177 PolarHBondContact O-N 3.41Å; N174-H178 PolarHBondContact O-N 3.05Å; N174-H178 VanDerWaalsContact O-N 3.15Å |
| 175 | L | 53.3 | Low | 47.8 | Very low | 148 Ų | 148 | 106.4 Ų | 106.4 | 78% | 0.775 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -47.6 | -31 | -177.5 | -106.4 | 87.3 | 0 | 0 | 0 | 112.1 | A173 R177 H178 | A173-L175 PolarHBondContact O-N 2.85Å; A173-L175 VanDerWaalsContact O-N 3.17Å; L175-R177 PolarHBondContact O-N 3.32Å; L175-H178 PolarHBondContact O-N 3.11Å |
| 176 | R | 53 | Low | 48.5 | Very low | 227 Ų | 227 | 107.3 Ų | 107.3 | 86% | 0.857 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -62.9 | -18.8 | 175 | -61.6 | 179.9 | 173.8 | -163.3 | -2.7 | 115.1 | N174 | N174-R176 PolarHBondContact O-N 3.11Å; N174-R176 WeakPolarHBondContact OD1-CB 3.2Å; N174-R176 VanDerWaalsContact OD1-CG 3.23Å; N174-R176 WeakPolarHBondContact OD1-CG 3.15Å; N174-R176 PolarHBondContact OD1-N 3.44Å; N174-R176 VanDerWaalsContact OD1-N 3.09Å |
| 177 | R | 52.7 | Low | 49.1 | Very low | 105 Ų | 105 | 110.1 Ų | 110.1 | 40% | 0.396 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -121.6 | 4.3 | -179.7 | -56.6 | -176.2 | 179.9 | -96.3 | 0.9 | 112.9 | S149 H150 N174 L175 H179 C180 | S149-R177 PolarHBondContact O-NE 2.9Å; H150-R177 WeakPolarHBondContact CE1-CB 3.38Å; H150-R177 PolarHBondContact CE1-O 3.24Å; H150-R177 WeakPolarHBondContact ND1-CD 3.48Å; N174-R177 CarbonylContact O-C 3.53Å; N174-R177 WeakPolarHBondContact O-CA 3.23Å; N174-R177 PolarHBondContact O-N 3.41Å; L175-R177 PolarHBondContact O-N 3.32Å; R177-H179 PolarHBondContact O-N 3.42Å; R177-C180 PolarHBondContact O-SG 2.93Å |
| 178 | H | 54.3 | Low | 49.5 | Very low | 105 Ų | 105 | 109.6 Ų | 109.6 | 49% | 0.486 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -61.7 | -25.2 | 172.5 | -111.1 | -71.3 | 0 | 0 | 0 | 112 | A173 N174 L175 C180 | A173-H178 PolarHBondContact O-CD2 3Å; A173-H178 PolarHBondContact O-NE2 3.02Å; N174-H178 PolarHBondContact O-N 3.05Å; N174-H178 VanDerWaalsContact O-N 3.15Å; L175-H178 PolarHBondContact O-N 3.11Å; H178-C180 VanDerWaalsContact C-N 3.31Å; H178-C180 PolarHBondContact O-N 2.93Å |
| 179 | H | 53.4 | Low | 49.7 | Very low | 128 Ų | 128 | 115.1 Ų | 115.1 | 59% | 0.593 | 63% | 0.626 | S | S | * | * | | | trans | -87.5 | 65.6 | 171.2 | -62.5 | -74.7 | 0 | 0 | 0 | 111.3 | R177 K181 L182 | R177-H179 PolarHBondContact O-N 3.42Å; H179-K181 PolarHBondContact O-N 3.16Å; H179-L182 HydrophobicContact CB-CB 4.47Å; H179-L182 HydrophobicContact CB-CD1 3.56Å; H179-L182 HydrophobicContact CB-CG 3.93Å; H179-L182 PolarHBondContact O-N 3.44Å |
| 180 | C | 54.3 | Low | 49.7 | Very low | 63 Ų | 63 | 117.3 Ų | 117.3 | 43% | 0.426 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -56.8 | -17.2 | 176.4 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | R177 H178 L182 P184 | R177-C180 PolarHBondContact O-SG 2.93Å; H178-C180 VanDerWaalsContact C-N 3.31Å; H178-C180 PolarHBondContact O-N 2.93Å; C180-L182 VanDerWaalsContact C-N 3.28Å; C180-L182 PolarHBondContact O-N 3.37Å; C180-P184 WeakPolarHBondContact O-CD 3.25Å; C180-P184 WeakPolarHBondContact O-CG 2.95Å |
| 181 | K | 56.4 | Low | 49.7 | Very low | 203 Ų | 203 | 116.2 Ų | 116.2 | 88% | 0.883 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -74.2 | -11.5 | 174.5 | -70.5 | -173.3 | 177 | -177.4 | 0 | 114.5 | H179 | H179-K181 PolarHBondContact O-N 3.16Š|
| 182 | L | 53.7 | Low | 49.8 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -94.6 | -10.9 | -179.8 | -65 | 174.9 | 0 | 0 | 0 | 113.5 | H179 C180 | H179-L182 HydrophobicContact CB-CB 4.47Å; H179-L182 HydrophobicContact CB-CD1 3.56Å; H179-L182 HydrophobicContact CB-CG 3.93Å; H179-L182 PolarHBondContact O-N 3.44Å; C180-L182 VanDerWaalsContact C-N 3.28Å; C180-L182 PolarHBondContact O-N 3.37Å |
| 183 | C | 54.4 | Low | 49.6 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 64% | 0.635 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -100.6 | -39.2 | -172.4 | -65.7 | 0 | 0 | 0 | 0 | 115 | | |
| 184 | P | 54.7 | Low | 49.8 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 56% | 0.558 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -92.8 | 108.5 | 168 | 30 | -21.3 | 0 | 0 | 0 | 108.4 | C180 | C180-P184 WeakPolarHBondContact O-CD 3.25Å; C180-P184 WeakPolarHBondContact O-CG 2.95Å |
| 185 | A | 45.4 | Very low | 50.2 | Low | 85 Ų | 85 | 133.9 Ų | 133.9 | 70% | 0.702 | 71% | 0.714 | S | S | * | * | | | trans | -57.9 | 126.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | L187 | A185-L187 PolarHBondContact O-N 3.01Š|
| 186 | P | 49.9 | Very low | 50 | Low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | | | trans | -59 | 111.5 | 168 | 25.2 | -30.6 | 0 | 0 | 0 | 106 | A188 | P186-A188 PolarHBondContact O-N 3.43Š|
| 187 | L | 48.6 | Very low | 50 | Low | 176 Ų | 176 | 126.1 Ų | 126.1 | 92% | 0.921 | 70% | 0.698 | S | S | * | * | | | trans | -65.8 | 81.2 | 166.4 | -92.2 | 153.1 | 0 | 0 | 0 | 106.1 | A185 | A185-L187 PolarHBondContact O-N 3.01Š|
| 188 | A | 44.4 | Very low | 50.1 | Low | 77 Ų | 77 | 131.7 Ų | 131.7 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | | | trans | -60.5 | 136.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | P186 L190 | P186-A188 PolarHBondContact O-N 3.43Å; A188-L190 PolarHBondContact O-N 2.92Å |
| 189 | E | 46 | Very low | 49.7 | Very low | 199 Ų | 199 | 132 Ų | 132 | 93% | 0.93 | 73% | 0.728 | S | S | * | * | | | trans | -62.4 | 73.2 | -176.7 | -62.6 | -150.6 | 153.7 | 0 | 0 | 112.7 | | |
| 190 | L | 43 | Very low | 49.3 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | | | trans | -94 | 112.2 | 166 | -139.9 | 86.1 | 0 | 0 | 0 | 106.6 | A188 L192 | A188-L190 PolarHBondContact O-N 2.92Å; L190-L192 PolarHBondContact O-N 3.25Å |
| 191 | L | 43.7 | Very low | 48.6 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 71% | 0.707 | 75% | 0.746 | S | S | * | * | | | trans | -22.6 | 116.1 | 167.8 | -88.1 | 108.2 | 0 | 0 | 0 | 112.4 | L193 | L191-L193 HydrophobicContact CB-CD1 4.15Å; L191-L193 HydrophobicContact CB-CG 4.08Å; L191-L193 HydrophobicContact CD2-CD1 3.41Å; L191-L193 VanDerWaalsContact CD2-CD1 3.41Å; L191-L193 HydrophobicContact CD2-CG 3.73Å; L191-L193 HydrophobicContact CG-CD1 4.37Å; L191-L193 PolarHBondContact O-N 3.41Å |
| 192 | L | 48.9 | Very low | 47.9 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | | | trans | -64 | 64.5 | 158.2 | -97.6 | 156 | 0 | 0 | 0 | 109 | L190 | L190-L192 PolarHBondContact O-N 3.25Š|
| 193 | L | 44.8 | Very low | 47.5 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | | | trans | -100.5 | 131.6 | 158.9 | -70.1 | 171.1 | 0 | 0 | 0 | 104.8 | L191 | L191-L193 HydrophobicContact CB-CD1 4.15Å; L191-L193 HydrophobicContact CB-CG 4.08Å; L191-L193 HydrophobicContact CD2-CD1 3.41Å; L191-L193 VanDerWaalsContact CD2-CD1 3.41Å; L191-L193 HydrophobicContact CD2-CG 3.73Å; L191-L193 HydrophobicContact CG-CD1 4.37Å; L191-L193 PolarHBondContact O-N 3.41Å |
| 194 | V | 48.1 | Very low | 46.7 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 88.1 | 89.1 | -161.7 | -165.3 | 0 | 0 | 0 | 0 | 111.6 | D196 | V194-D196 PolarHBondContact O-N 3.35Š|
| 195 | V | 51.7 | Low | 45.7 | Very low | 134 Ų | 134 | 137 Ų | 137 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -55.7 | 96.9 | 164.7 | 176.5 | 0 | 0 | 0 | 0 | 108 | P197 | V195-P197 WeakPolarHBondContact O-CD 3.41Š|
| 196 | D | 49.6 | Very low | 45.3 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 46% | 0.455 | 76% | 0.764 | S | S | . | * | | | trans | -72.2 | 118.7 | 168 | -167.2 | -34.9 | 0 | 0 | 0 | 107.6 | V194 R198 V199 | V194-D196 PolarHBondContact O-N 3.35Å; D196-R198 PolarHBondContact O-N 3.13Å; D196-R198 WeakPolarHBondContact OD1-CB 3.36Å; D196-R198 VanDerWaalsContact OD1-CG 3.25Å; D196-R198 WeakPolarHBondContact OD1-CG 3.32Å; D196-R198 PolarHBondContact OD1-N 3.19Å; D196-V199 WeakPolarHBondContact O-CG2 3.29Å; D196-V199 PolarHBondContact O-N 3.3Å |
| 197 | P | 52.3 | Low | 44.7 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -1.7 | 177.1 | 26.9 | -33.7 | 0 | 0 | 0 | 113.1 | V195 V199 | V195-P197 WeakPolarHBondContact O-CD 3.41Å; P197-V199 VanDerWaalsContact C-N 3.35Å |
| 198 | R | 54.5 | Low | 44.4 | Very low | 221 Ų | 221 | 135.5 Ų | 135.5 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 14.3 | 175.8 | -56 | -179.2 | 165.6 | -163 | -3.8 | 113.6 | D196 S200 | D196-R198 PolarHBondContact O-N 3.13Å; D196-R198 WeakPolarHBondContact OD1-CB 3.36Å; D196-R198 VanDerWaalsContact OD1-CG 3.25Å; D196-R198 WeakPolarHBondContact OD1-CG 3.32Å; D196-R198 PolarHBondContact OD1-N 3.19Å; R198-S200 PolarHBondContact O-N 3.42Å |
| 199 | V | 46.1 | Very low | 43.8 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | trans | -62 | 87.6 | 171.9 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | D196 P197 | D196-V199 WeakPolarHBondContact O-CG2 3.29Å; D196-V199 PolarHBondContact O-N 3.3Å; P197-V199 VanDerWaalsContact C-N 3.35Å |
| 200 | S | 45.2 | Very low | 43.4 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 52% | 0.524 | 76% | 0.759 | S | S | . | * | | | trans | 33.4 | 101.6 | 153.1 | -152.1 | 0 | 0 | 0 | 0 | 116.8 | R198 C202 | R198-S200 PolarHBondContact O-N 3.42Å; S200-C202 PolarHBondContact O-N 3.42Å |
| 201 | L | 39.6 | Very low | 43.2 | Very low | 165 Ų | 165 | 131 Ų | 131 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -53 | 5.8 | 163.3 | -103.2 | 141 | 0 | 0 | 0 | 115.1 | R203 | L201-R203 VanDerWaalsContact C-N 3.29Å; L201-R203 PolarHBondContact O-N 3.04Å |
| 202 | C | 41.5 | Very low | 43.1 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 69% | 0.689 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -82.7 | 8.1 | 179.2 | -65 | 0 | 0 | 0 | 0 | 114.8 | S200 | S200-C202 PolarHBondContact O-N 3.42Š|
| 203 | R | 44.1 | Very low | 42.7 | Very low | 242 Ų | 242 | 131 Ų | 131 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -110.5 | 1.4 | 173.1 | -82.1 | -153.1 | 173.9 | 171.5 | 1.3 | 116.4 | L201 | L201-R203 VanDerWaalsContact C-N 3.29Å; L201-R203 PolarHBondContact O-N 3.04Å |
| 204 | L | 38.8 | Very low | 42.4 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -110.3 | 70.5 | 171.4 | -88.9 | 90.1 | 0 | 0 | 0 | 110.6 | | |
| 205 | G | 34.2 | Very low | 42.3 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | | | trans | -137.1 | 34.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 206 | S | 35.5 | Very low | 41.9 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | trans | -102.3 | 119.7 | 167.2 | -73.3 | 0 | 0 | 0 | 0 | 108.6 | V208 | S206-V208 PolarHBondContact O-N 2.88Š|
| 207 | P | 38.4 | Very low | 41.7 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | | | trans | -79 | 77.4 | 171.9 | 33.7 | -30.3 | 0 | 0 | 0 | 107.6 | | |
| 208 | V | 41.4 | Very low | 41.1 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | trans | -89.3 | 105.7 | 165 | -179 | 0 | 0 | 0 | 0 | 106.1 | S206 L210 | S206-V208 PolarHBondContact O-N 2.88Å; V208-L210 PolarHBondContact O-N 3.42Å; V208-L210 VanDerWaalsContact O-N 3.09Å |
| 209 | G | 31.7 | Very low | 40.5 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | | | trans | -52.8 | 114 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 210 | L | 39.3 | Very low | 40 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -133.6 | 96.8 | 166.3 | -75 | 171.6 | 0 | 0 | 0 | 107.5 | V208 | V208-L210 PolarHBondContact O-N 3.42Å; V208-L210 VanDerWaalsContact O-N 3.09Å |
| 211 | N | 37.9 | Very low | 39.9 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 61% | 0.61 | 80% | 0.8 | S | S | * | * | | | trans | -18.8 | 124.9 | 164.1 | -164 | -33.6 | 0 | 0 | 0 | 114.7 | Q213 | N211-Q213 PolarHBondContact O-N 3.17Å; N211-Q213 PolarHBondContact OD1-N 3.02Å |
| 212 | P | 41.4 | Very low | 39.9 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -78 | 69.1 | 170.9 | 35 | -32.5 | 0 | 0 | 0 | 109.1 | | |
| 213 | Q | 41.5 | Very low | 39.9 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -116.7 | 93.6 | 167.8 | -138 | 149 | 66.8 | 0 | 0 | 106.5 | N211 | N211-Q213 PolarHBondContact O-N 3.17Å; N211-Q213 PolarHBondContact OD1-N 3.02Å |
| 214 | G | 38.3 | Very low | 39.6 | Very low | 61 Ų | 61 | 136.7 Ų | 136.7 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | | | trans | -62.2 | 154.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113 | T216 | G214-T216 PolarHBondContact O-N 3.32Š|
| 215 | P | 44.4 | Very low | 39.7 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | trans | -81.4 | 98.4 | 165.2 | 31.6 | -26.8 | 0 | 0 | 0 | 108.1 | R217 | P215-R217 VanDerWaalsContact C-N 3.3Å; P215-R217 PolarHBondContact O-N 3.11Å |
| 216 | T | 44.6 | Very low | 40 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | | | trans | -59 | 95.2 | 160.7 | -33 | 0 | 0 | 0 | 0 | 107.5 | G214 H218 | G214-T216 PolarHBondContact O-N 3.32Å; T216-H218 VanDerWaalsContact C-N 3.28Å; T216-H218 PolarHBondContact O-N 2.91Å |
| 217 | R | 45.4 | Very low | 40.3 | Very low | 219 Ų | 219 | 141.6 Ų | 141.6 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -77.5 | 86.5 | 168.7 | -75.2 | -164.7 | 174.2 | -156.8 | -0.3 | 108.3 | P215 | P215-R217 VanDerWaalsContact C-N 3.3Å; P215-R217 PolarHBondContact O-N 3.11Å |
| 218 | H | 39.1 | Very low | 40.5 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -73.6 | 112.6 | 153.1 | -106.6 | -94 | 0 | 0 | 0 | 107.4 | T216 | T216-H218 VanDerWaalsContact C-N 3.28Å; T216-H218 PolarHBondContact O-N 2.91Å |
| 219 | F | 42.2 | Very low | 40.4 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | | | trans | -132.1 | 105.3 | 152.2 | -86.6 | -80.2 | 0 | 0 | 0 | 107.3 | | |
| 220 | S | 35.8 | Very low | 41.1 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | -107.1 | 122.9 | 168.2 | -170.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 221 | L | 43.5 | Very low | 41.3 | Very low | 247 Ų | 247 | 149.3 Ų | 149.3 | 100% | 1.293 | 81% | 0.805 | S | S | * | * | | | trans | -158.2 | 0 | 149.5 | -102.3 | 164 | 0 | 0 | 0 | 106.4 | | |