| 1 | M | 37.9 | Very low | 43.3 | Very low | 242 Ų | 242 | 159.2 Ų | 159.2 | 100% | 1.192 | 87% | 0.869 | S | S | * | * | | | | 0 | 138.9 | 0 | -76.6 | 142.6 | 82.5 | 0 | 0 | 108.9 | | |
| 2 | R | 40.9 | Very low | 42.9 | Very low | 240 Ų | 240 | 156 Ų | 156 | 91% | 0.906 | 86% | 0.857 | S | S | * | * | | | trans | 24.9 | 106.9 | 145.6 | -149 | 164.8 | -162.9 | -171.2 | 3.5 | 117.1 | | |
| 3 | A | 41 | Very low | 43.1 | Very low | 100 Ų | 100 | 151.6 Ų | 151.6 | 83% | 0.826 | 84% | 0.841 | S | S | * | * | | | | 63.6 | 138.7 | 89.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 4 | G | 41.2 | Very low | 42.4 | Very low | 71 Ų | 71 | 150.2 Ų | 150.2 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | | | cis | -170.5 | 176.5 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 5 | N | 49.8 | Very low | 42.3 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | | | trans | -68.1 | 154.7 | 179.7 | -40.9 | -30.7 | 0 | 0 | 0 | 111.3 | | |
| 6 | F | 43.3 | Very low | 42.4 | Very low | 213 Ų | 213 | 145.3 Ų | 145.3 | 93% | 0.934 | 83% | 0.831 | S | S | * | * | | | | -171 | 143.2 | 130 | -86.6 | -56.5 | 0 | 0 | 0 | 110.9 | | |
| 7 | L | 44.3 | Very low | 42.5 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | | | trans | -80.3 | 156.4 | 171.4 | -54.8 | 94.9 | 0 | 0 | 0 | 110.3 | | |
| 8 | T | 48.4 | Very low | 42.6 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | | | | -164.9 | 135 | 119.2 | 16.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 9 | A | 40.1 | Very low | 42.4 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | | | trans | -77.3 | 143.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 10 | L | 45.5 | Very low | 42.6 | Very low | 177 Ų | 177 | 138 Ų | 138 | 93% | 0.927 | 83% | 0.828 | S | S | * | * | | | trans | -106.5 | 109.5 | 166.5 | -88.7 | 164.1 | 0 | 0 | 0 | 108.7 | | |
| 11 | E | 43.6 | Very low | 42.8 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | | | trans | -86.4 | -172.2 | 169.6 | -109.3 | -79.2 | 139.5 | 0 | 0 | 110.3 | | |
| 12 | V | 39.4 | Very low | 43.1 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | | | trans | 87.5 | 131.1 | 163.4 | -166 | 0 | 0 | 0 | 0 | 116.2 | | |
| 13 | P | 45.1 | Very low | 43.4 | Very low | 99 Ų | 99 | 122 Ų | 122 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | | | cis | -144 | -161.1 | -44.9 | 42 | -21.1 | 0 | 0 | 0 | 112.6 | | |
| 14 | V | 33.6 | Very low | 43.7 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | | | trans | 69.3 | 137.8 | 148.1 | 158.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 15 | V | 40.5 | Very low | 43.8 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | | | cis | -148.5 | 155.3 | 2.2 | 106 | 0 | 0 | 0 | 0 | 110.2 | | |
| 16 | A | 44 | Very low | 43.7 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -84.7 | 133.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 17 | L | 43.5 | Very low | 44 | Very low | 153 Ų | 153 | 121.6 Ų | 121.6 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | | | trans | -131.4 | 105.8 | 169.2 | -157.8 | 155.4 | 0 | 0 | 0 | 110 | G19 | L17-G19 PolarHBondContact O-N 3.37Š|
| 18 | A | 44.8 | Very low | 44.3 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | | | trans | -73.5 | 113.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 19 | G | 39.5 | Very low | 44.5 | Very low | 67 Ų | 67 | 121.1 Ų | 121.1 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | -122.8 | 109.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L17 | L17-G19 PolarHBondContact O-N 3.37Š|
| 20 | A | 46.4 | Very low | 45.6 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -80.7 | 133 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 21 | A | 45.4 | Very low | 46.2 | Very low | 94 Ų | 94 | 125 Ų | 125 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -140.9 | 94.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 22 | S | 45.3 | Very low | 47.2 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | | 57.8 | 101.8 | 78.6 | -163.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 23 | G | 47.1 | Very low | 48.8 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | -67 | 136.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 24 | R | 46.3 | Very low | 49.9 | Very low | 248 Ų | 248 | 128.2 Ų | 128.2 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | | | trans | -99.5 | 108.3 | 157.4 | -90.9 | 177.8 | 158.1 | -98.9 | -0.1 | 107.8 | A26 | R24-A26 PolarHBondContact O-N 3.49Š|
| 25 | G | 44.3 | Very low | 51.6 | Low | 73 Ų | 73 | 127.3 Ų | 127.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -57.8 | 137.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S27 | G25-S27 PolarHBondContact O-N 2.92Š|
| 26 | A | 47 | Very low | 53 | Low | 91 Ų | 91 | 127.2 Ų | 127.2 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | -59.3 | 111.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | R24 C28 | R24-A26 PolarHBondContact O-N 3.49Å; A26-C28 VanDerWaalsContact C-N 3.3Å; A26-C28 PolarHBondContact O-N 3.01Å |
| 27 | S | 50.3 | Low | 54.3 | Low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -67 | 97.4 | 165.1 | 52 | 0 | 0 | 0 | 0 | 106.7 | G25 E29 | G25-S27 PolarHBondContact O-N 2.92Å; S27-E29 VanDerWaalsContact C-N 3.26Å; S27-E29 PolarHBondContact O-N 2.81Å |
| 28 | C | 49.6 | Very low | 55.3 | Low | 118 Ų | 118 | 126.8 Ų | 126.8 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -59.4 | 96 | 168.1 | -65.2 | 0 | 0 | 0 | 0 | 107.5 | A26 R30 | A26-C28 VanDerWaalsContact C-N 3.3Å; A26-C28 PolarHBondContact O-N 3.01Å; C28-R30 PolarHBondContact O-N 2.92Å |
| 29 | E | 53.5 | Low | 56.2 | Low | 172 Ų | 172 | 130.1 Ų | 130.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -64.6 | 103.8 | 178 | -162.6 | -176.6 | 136.5 | 0 | 0 | 107.3 | S27 V31 | S27-E29 VanDerWaalsContact C-N 3.26Å; S27-E29 PolarHBondContact O-N 2.81Å; E29-V31 PolarHBondContact O-N 2.84Å |
| 30 | R | 63.3 | Low | 56.9 | Low | 232 Ų | 232 | 136 Ų | 136 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | | | trans | -76.1 | 83.4 | -177.7 | -173.3 | 179.9 | -67.8 | -161.7 | -1.5 | 107.8 | C28 R32 | C28-R30 PolarHBondContact O-N 2.92Å; R30-R32 PolarHBondContact O-N 3.04Å |
| 31 | V | 58.6 | Low | 57.8 | Low | 121 Ų | 121 | 142.3 Ų | 142.3 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | -45.2 | 115.2 | 171.3 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | E29 | E29-V31 PolarHBondContact O-N 2.84Š|
| 32 | R | 64.4 | Low | 58.6 | Low | 226 Ų | 226 | 145.4 Ų | 145.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 133.2 | 177.3 | -76.9 | -180 | 167.3 | 173.1 | -4.1 | 108 | R30 | R30-R32 PolarHBondContact O-N 3.04Š|
| 33 | P | 72.6 | Confident | 59.4 | Low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.5 | 171.9 | 27.4 | -34 | 0 | 0 | 0 | 109.5 | | |
| 34 | P | 68 | Low | 60.4 | Low | 115 Ų | 115 | 147.5 Ų | 147.5 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61 | 150.7 | 177.7 | 26.6 | -34.6 | 0 | 0 | 0 | 110.8 | | |
| 35 | P | 68.9 | Low | 61.3 | Low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 146.3 | 174.5 | 27.4 | -34.5 | 0 | 0 | 0 | 110.5 | L37 | P35-L37 PolarHBondContact O-N 3.43Š|
| 36 | P | 70.3 | Confident | 61.9 | Low | 120 Ų | 120 | 145.4 Ų | 145.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 135.7 | 177.8 | 26.2 | -33.9 | 0 | 0 | 0 | 110.5 | | |
| 37 | L | 70.8 | Confident | 62.5 | Low | 150 Ų | 150 | 152.8 Ų | 152.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 141.6 | 178.6 | -67.7 | 172.5 | 0 | 0 | 0 | 110.7 | P35 H39 | P35-L37 PolarHBondContact O-N 3.43Å; L37-H39 PolarHBondContact O-N 3.23Å |
| 38 | P | 65.9 | Low | 62.5 | Low | 94 Ų | 94 | 152.3 Ų | 152.3 | 61% | 0.61 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.3 | 177.9 | 25.4 | -33.7 | 0 | 0 | 0 | 110.1 | F40 | P38-F40 HydrophobicContact CG-CD2 4.49Å; P38-F40 HydrophobicContact CG-CE2 3.97Å; P38-F40 WeakPolarHBondContact O-CD2 3.35Å; P38-F40 PolarHBondContact O-N 3.03Å |
| 39 | H | 62.2 | Low | 62.9 | Low | 177 Ų | 177 | 158.4 Ų | 158.4 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | | | trans | -69.2 | 93.4 | 176.4 | -60.9 | -53.7 | 0 | 0 | 0 | 110.3 | L37 R41 | L37-H39 PolarHBondContact O-N 3.23Å; H39-R41 VanDerWaalsContact C-N 3.33Å; H39-R41 PolarHBondContact O-N 2.99Å |
| 40 | F | 54.5 | Low | 62.9 | Low | 191 Ų | 191 | 157.3 Ų | 157.3 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -63.6 | 91.8 | 169.4 | -78.2 | -84.2 | 0 | 0 | 0 | 110.1 | P38 L42 | P38-F40 HydrophobicContact CG-CD2 4.49Å; P38-F40 HydrophobicContact CG-CE2 3.97Å; P38-F40 WeakPolarHBondContact O-CD2 3.35Å; P38-F40 PolarHBondContact O-N 3.03Å; F40-L42 PolarHBondContact O-N 3.15Å |
| 41 | R | 65.2 | Low | 62.2 | Low | 239 Ų | 239 | 152.2 Ų | 152.2 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -70.1 | 113.6 | 165.9 | -96.6 | -171.5 | 171.2 | -178.9 | -0.8 | 108.7 | H39 | H39-R41 VanDerWaalsContact C-N 3.33Å; H39-R41 PolarHBondContact O-N 2.99Å |
| 42 | L | 61.8 | Low | 61.9 | Low | 159 Ų | 159 | 149.1 Ų | 149.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 138.1 | 166.9 | -66.1 | 170.9 | 0 | 0 | 0 | 109.6 | F40 | F40-L42 PolarHBondContact O-N 3.15Š|
| 43 | P | 63 | Low | 61.1 | Low | 107 Ų | 107 | 144.4 Ų | 144.4 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 147.6 | 174 | 27.1 | -34 | 0 | 0 | 0 | 110.1 | L45 | P43-L45 PolarHBondContact O-N 3.1Š|
| 44 | P | 68 | Low | 59.8 | Low | 129 Ų | 129 | 145.9 Ų | 145.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 126.8 | -179.8 | 26 | -33.7 | 0 | 0 | 0 | 110.3 | | |
| 45 | L | 65.8 | Low | 58.6 | Low | 155 Ų | 155 | 145.7 Ų | 145.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 141.6 | 176.4 | -68.4 | 170.9 | 0 | 0 | 0 | 110.6 | P43 R47 | P43-L45 PolarHBondContact O-N 3.1Å; L45-R47 PolarHBondContact O-N 3.17Å; L45-R47 VanDerWaalsContact O-N 3.09Å |
| 46 | P | 57 | Low | 57.3 | Low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 118.4 | 175.7 | 25.5 | -33.2 | 0 | 0 | 0 | 108.9 | S48 | P46-S48 PolarHBondContact O-N 3.33Š|
| 47 | R | 59.5 | Low | 55.9 | Low | 246 Ų | 246 | 152 Ų | 152 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | | | trans | -60.7 | 111.4 | 179 | -64 | 176.5 | 98.5 | 131.7 | 0.7 | 108.3 | L45 R49 | L45-R47 PolarHBondContact O-N 3.17Å; L45-R47 VanDerWaalsContact O-N 3.09Å; R47-R49 PolarHBondContact O-N 3.34Å; R47-R49 VanDerWaalsContact O-N 3.1Å |
| 48 | S | 49.9 | Very low | 54.5 | Low | 101 Ų | 101 | 151.5 Ų | 151.5 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -54.5 | 117.3 | 171.4 | 44.1 | 0 | 0 | 0 | 0 | 108.8 | P46 L50 | P46-S48 PolarHBondContact O-N 3.33Å; S48-L50 VanDerWaalsContact C-N 3.29Å; S48-L50 PolarHBondContact O-N 2.81Å |
| 49 | R | 58 | Low | 53.6 | Low | 246 Ų | 246 | 152.9 Ų | 152.9 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | | | trans | -66.4 | 97.1 | 165.2 | -83.9 | -173.3 | 179.9 | -114.5 | 3.9 | 107 | R47 | R47-R49 PolarHBondContact O-N 3.34Å; R47-R49 VanDerWaalsContact O-N 3.1Å |
| 50 | L | 53.4 | Low | 52.7 | Low | 148 Ų | 148 | 148 Ų | 148 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 137 | 161.3 | -67.5 | 172.7 | 0 | 0 | 0 | 108 | S48 G52 | S48-L50 VanDerWaalsContact C-N 3.29Å; S48-L50 PolarHBondContact O-N 2.81Å; L50-G52 PolarHBondContact O-N 2.9Å |
| 51 | P | 48.6 | Very low | 51.9 | Low | 125 Ų | 125 | 143 Ų | 143 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 123.6 | 171 | -21.7 | 32.9 | 0 | 0 | 0 | 109.1 | | |
| 52 | G | 52.5 | Low | 51.2 | Low | 56 Ų | 56 | 137.6 Ų | 137.6 | 58% | 0.577 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 157 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L50 V54 | L50-G52 PolarHBondContact O-N 2.9Å; G52-V54 PolarHBondContact O-N 3.21Å |
| 53 | P | 47.6 | Very low | 50.3 | Low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 134.4 | 178.2 | 24.6 | -33.6 | 0 | 0 | 0 | 110.5 | S55 | P53-S55 PolarHBondContact O-N 2.95Š|
| 54 | V | 45.9 | Very low | 49.8 | Very low | 142 Ų | 142 | 141 Ų | 141 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | trans | -71.1 | 99.4 | -176.1 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | G52 R56 | G52-V54 PolarHBondContact O-N 3.21Å; V54-R56 PolarHBondContact O-N 2.98Å |
| 55 | S | 42.9 | Very low | 48.4 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 116.7 | 168.5 | -67.9 | 0 | 0 | 0 | 0 | 109.7 | P53 L57 | P53-S55 PolarHBondContact O-N 2.95Å; S55-L57 PolarHBondContact O-N 2.85Å |
| 56 | R | 41.1 | Very low | 47.2 | Very low | 204 Ų | 204 | 140.2 Ų | 140.2 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 119.9 | 178.7 | -168.9 | 177.9 | -171.9 | -86.8 | 5.9 | 110.6 | V54 E58 | V54-R56 PolarHBondContact O-N 2.98Å; R56-E58 IonicContact NH1-OE1 2.83Å; R56-E58 PolarHBondContact NH1-OE1 3.28Å |
| 57 | L | 40.7 | Very low | 46.5 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 118.4 | -177.9 | -154.9 | 79.3 | 0 | 0 | 0 | 110.2 | S55 | S55-L57 PolarHBondContact O-N 2.85Š|
| 58 | E | 41.6 | Very low | 45.6 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 65% | 0.654 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 137.8 | 166.2 | -78 | -65.7 | 129.4 | 0 | 0 | 110 | R56 | R56-E58 IonicContact NH1-OE1 2.83Å; R56-E58 PolarHBondContact NH1-OE1 3.28Å |
| 59 | P | 47.3 | Very low | 45.3 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -92.3 | 108.1 | -172.2 | 33.8 | -32.7 | 0 | 0 | 0 | 112.9 | | |
| 60 | G | 42.8 | Very low | 44.5 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | 159.2 | 91.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 61 | A | 38.3 | Very low | 44.1 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | | | trans | 174 | 136.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L63 | A61-L63 PolarHBondContact O-N 2.9Š|
| 62 | P | 48.7 | Very low | 44.2 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -87.1 | 99.4 | 171 | 33.3 | -29.8 | 0 | 0 | 0 | 110.4 | | |
| 63 | L | 43.4 | Very low | 43.8 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -89.6 | 114.5 | 167.8 | -72.1 | 179 | 0 | 0 | 0 | 110.4 | A61 G65 | A61-L63 PolarHBondContact O-N 2.9Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 3.11Å |
| 64 | L | 52.4 | Low | 44.1 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | | | trans | -72.1 | 79.2 | 179.9 | -135.3 | 93.1 | 0 | 0 | 0 | 110.8 | R66 | L64-R66 PolarHBondContact O-N 2.96Š|
| 65 | G | 39.6 | Very low | 43.7 | Very low | 56 Ų | 56 | 137 Ų | 137 | 58% | 0.577 | 78% | 0.782 | S | S | * | * | | | trans | -68.9 | 86.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L63 W67 | L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 3.11Å; G65-W67 VanDerWaalsContact O-CD1 3.25Å; G65-W67 PolarHBondContact O-N 3.03Å |
| 66 | R | 40.9 | Very low | 43.8 | Very low | 210 Ų | 210 | 137.1 Ų | 137.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | -68.2 | 93 | 173.2 | 178.4 | -171.2 | -92.1 | -103.5 | 2 | 110.3 | L64 Q68 | L64-R66 PolarHBondContact O-N 2.96Å; R66-Q68 PolarHBondContact O-N 3.06Å; R66-Q68 VanDerWaalsContact O-N 3.07Å |
| 67 | W | 41.9 | Very low | 44.1 | Very low | 227 Ų | 227 | 133.5 Ų | 133.5 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -72.2 | 97.6 | 168.3 | -66.2 | 94.9 | 0 | 0 | 0 | 110.1 | G65 W69 | G65-W67 VanDerWaalsContact O-CD1 3.25Å; G65-W67 PolarHBondContact O-N 3.03Å; W67-W69 PolarHBondContact O-N 3.26Å |
| 68 | Q | 40.6 | Very low | 44.1 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | | | trans | -81.1 | 100.9 | 176.5 | -141.2 | 177.6 | 127.1 | 0 | 0 | 108.7 | R66 G70 | R66-Q68 PolarHBondContact O-N 3.06Å; R66-Q68 VanDerWaalsContact O-N 3.07Å; Q68-G70 PolarHBondContact O-N 3.43Å |
| 69 | W | 43.6 | Very low | 44.5 | Very low | 236 Ų | 236 | 132.3 Ų | 132.3 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 123.7 | 172.3 | -81.6 | 72.7 | 0 | 0 | 0 | 109.5 | W67 | W67-W69 PolarHBondContact O-N 3.26Š|
| 70 | G | 39.6 | Very low | 44.5 | Very low | 68 Ų | 68 | 132.3 Ų | 132.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 143.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q68 | Q68-G70 PolarHBondContact O-N 3.43Š|
| 71 | S | 46.8 | Very low | 44.5 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 139 | 179.9 | -51.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 72 | P | 50.6 | Low | 44.8 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 127.8 | 169.9 | 31 | -31.7 | 0 | 0 | 0 | 110.8 | | |
| 73 | S | 42.6 | Very low | 44.8 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 146 | 165.9 | -167.2 | 0 | 0 | 0 | 0 | 109.9 | G75 | S73-G75 PolarHBondContact O-N 3.2Š|
| 74 | P | 54.1 | Low | 45 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 116.5 | -178.5 | 29.7 | -33.5 | 0 | 0 | 0 | 111.5 | | |
| 75 | G | 39.2 | Very low | 44.7 | Very low | 62 Ų | 62 | 138.6 Ų | 138.6 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | | | trans | -136.7 | 160.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S73 | S73-G75 PolarHBondContact O-N 3.2Š|
| 76 | P | 44.3 | Very low | 44.8 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | trans | -67.2 | 158.1 | -165.1 | 27.9 | -35.8 | 0 | 0 | 0 | 113.3 | C78 | P76-C78 PolarHBondContact O-N 3.19Š|
| 77 | P | 47.3 | Very low | 45.3 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | trans | -75.1 | 84.8 | -171 | 31.6 | -36.3 | 0 | 0 | 0 | 112 | L79 | P77-L79 PolarHBondContact O-N 2.91Š|
| 78 | C | 41.2 | Very low | 45.6 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | | | trans | -61.4 | 133.4 | 154.4 | -62.9 | 0 | 0 | 0 | 0 | 108.3 | P76 V80 | P76-C78 PolarHBondContact O-N 3.19Å; C78-V80 PolarHBondContact O-N 3.1Å |
| 79 | L | 49.6 | Very low | 45.7 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | | | trans | -69.4 | 73.8 | 176.5 | -68.8 | 168.1 | 0 | 0 | 0 | 110.3 | P77 F81 | P77-L79 PolarHBondContact O-N 2.91Å; L79-F81 PolarHBondContact O-N 2.99Å |
| 80 | V | 46 | Very low | 46.1 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | | | trans | -65.5 | 108.2 | 168.6 | -178.1 | 0 | 0 | 0 | 0 | 106.2 | C78 R82 | C78-V80 PolarHBondContact O-N 3.1Å; V80-R82 VanDerWaalsContact C-N 3.29Å; V80-R82 PolarHBondContact O-N 3.09Å |
| 81 | F | 43.8 | Very low | 46.7 | Very low | 187 Ų | 187 | 128.1 Ų | 128.1 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | | | trans | -49.3 | 101.1 | 163.7 | -96.2 | -96.8 | 0 | 0 | 0 | 107.5 | L79 L83 | L79-F81 PolarHBondContact O-N 2.99Å; F81-L83 PolarHBondContact O-N 3.08Å |
| 82 | R | 44.9 | Very low | 46.9 | Very low | 230 Ų | 230 | 130.1 Ų | 130.1 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | | | trans | -71.7 | 90.7 | -178.6 | -157.9 | -178 | -147 | -116.1 | 8 | 104.8 | V80 C84 | V80-R82 VanDerWaalsContact C-N 3.29Å; V80-R82 PolarHBondContact O-N 3.09Å; R82-C84 PolarHBondContact O-N 3.36Å |
| 83 | L | 49.3 | Very low | 47 | Very low | 146 Ų | 146 | 129 Ų | 129 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | -53.5 | 101.5 | 167.5 | -93.8 | 82.5 | 0 | 0 | 0 | 105.3 | F81 S85 | F81-L83 PolarHBondContact O-N 3.08Å; L83-S85 PolarHBondContact O-N 3.18Å |
| 84 | C | 46.3 | Very low | 47.5 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 68% | 0.676 | 77% | 0.77 | S | S | * | * | | | trans | -72.8 | 88.2 | 178.4 | -162.7 | 0 | 0 | 0 | 0 | 104.7 | R82 C86 | R82-C84 PolarHBondContact O-N 3.36Å; C84-C86 PolarHBondContact O-N 3Å; C84-C86 VanDerWaalsContact SG-SG 3.61Å |
| 85 | S | 46.4 | Very low | 47.5 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | | | trans | -64.4 | 78.6 | 169.8 | -61 | 0 | 0 | 0 | 0 | 106.7 | L83 T87 | L83-S85 PolarHBondContact O-N 3.18Å; S85-T87 PolarHBondContact O-N 3.05Å |
| 86 | C | 42.4 | Very low | 48 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | | | trans | -67.9 | 75.3 | 174.4 | -72.8 | 0 | 0 | 0 | 0 | 108.4 | C84 C88 | C84-C86 PolarHBondContact O-N 3Å; C84-C86 VanDerWaalsContact SG-SG 3.61Å; C86-C88 PolarHBondContact O-N 3.29Å |
| 87 | T | 50.6 | Low | 48.7 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -69.9 | 59.7 | 160.7 | 52.1 | 0 | 0 | 0 | 0 | 108.7 | S85 F89 | S85-T87 PolarHBondContact O-N 3.05Å; T87-F89 PolarHBondContact O-N 3.36Å |
| 88 | C | 47.8 | Very low | 49.5 | Very low | 110 Ų | 110 | 131 Ų | 131 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | trans | -80.8 | 44.9 | 171.1 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | C86 A90 | C86-C88 PolarHBondContact O-N 3.29Å; C88-A90 VanDerWaalsContact C-N 3.29Å; C88-A90 PolarHBondContact O-N 2.83Å |
| 89 | F | 43.2 | Very low | 50.5 | Low | 200 Ų | 200 | 132 Ų | 132 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -92.3 | 70.9 | 168.3 | -123.5 | -86.7 | 0 | 0 | 0 | 107.8 | T87 | T87-F89 PolarHBondContact O-N 3.36Š|
| 90 | A | 53.1 | Low | 51.5 | Low | 82 Ų | 82 | 129 Ų | 129 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 130.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | C88 L92 | C88-A90 VanDerWaalsContact C-N 3.29Å; C88-A90 PolarHBondContact O-N 2.83Å; A90-L92 PolarHBondContact O-N 3.03Å; A90-L92 VanDerWaalsContact O-N 3.13Å |
| 91 | P | 51 | Low | 53.1 | Low | 129 Ų | 129 | 127 Ų | 127 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116.1 | 172.2 | -18.9 | 31.7 | 0 | 0 | 0 | 109.3 | | |
| 92 | L | 51 | Low | 54.9 | Low | 160 Ų | 160 | 122.8 Ų | 122.8 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 133.3 | 175.8 | -158 | 74.6 | 0 | 0 | 0 | 108.9 | A90 | A90-L92 PolarHBondContact O-N 3.03Å; A90-L92 VanDerWaalsContact O-N 3.13Å |
| 93 | P | 53.5 | Low | 56.8 | Low | 103 Ų | 103 | 121 Ų | 121 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 136 | 178.8 | 25.1 | -33.8 | 0 | 0 | 0 | 110.8 | G95 | P93-G95 PolarHBondContact O-N 2.95Š|
| 94 | P | 52.7 | Low | 58.6 | Low | 140 Ų | 140 | 115 Ų | 115 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -78.7 | 90.7 | -178.4 | 31.9 | -33.9 | 0 | 0 | 0 | 110 | | |
| 95 | G | 53.1 | Low | 60.7 | Low | 76 Ų | 76 | 113 Ų | 113 | 78% | 0.784 | 68% | 0.684 | S | S | * | * | | | trans | 157.6 | 61.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P93 | P93-G95 PolarHBondContact O-N 2.95Š|
| 96 | A | 50.8 | Low | 62.9 | Low | 74 Ų | 74 | 112.7 Ų | 112.7 | 61% | 0.612 | 68% | 0.675 | S | S | * | * | | | trans | -137.2 | 99.5 | 161 | 0 | 0 | 0 | 0 | 0 | 107.9 | M98 | A96-M98 HydrophobicContact CB-CG 3.64Å; A96-M98 PolarHBondContact O-N 3.3Å |
| 97 | D | 59.8 | Low | 65.3 | Low | 169 Ų | 169 | 114.1 Ų | 114.1 | 90% | 0.904 | 67% | 0.673 | S | S | * | * | | | trans | -60.5 | 103.8 | 159.8 | 179.9 | 28.5 | 0 | 0 | 0 | 106.7 | | |
| 98 | M | 64.1 | Low | 67.3 | Low | 132 Ų | 132 | 115.8 Ų | 115.8 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | | | trans | -119.4 | 91.6 | -172.5 | -77.6 | -95.9 | 60.6 | 0 | 0 | 108.2 | A96 P100 | A96-M98 HydrophobicContact CB-CG 3.64Å; A96-M98 PolarHBondContact O-N 3.3Å; M98-P100 WeakPolarHBondContact O-CD 3.42Å; M98-P100 VanDerWaalsContact O-N 3.08Å |
| 99 | D | 61.3 | Low | 69.5 | Low | 127 Ų | 127 | 116.2 Ų | 116.2 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | | | trans | -44.6 | 116 | 151.8 | 174.4 | 38.2 | 0 | 0 | 0 | 107.8 | N101 | D99-N101 PolarHBondContact O-N 3.02Š|
| 100 | P | 70.9 | Confident | 72 | Confident | 106 Ų | 106 | 111.3 Ų | 111.3 | 69% | 0.688 | 64% | 0.635 | S | S | * | * | | | trans | -77.1 | 76.6 | -171.5 | 31.4 | -35.6 | 0 | 0 | 0 | 109.3 | M98 P102 | M98-P100 WeakPolarHBondContact O-CD 3.42Å; M98-P100 VanDerWaalsContact O-N 3.08Å; P100-P102 WeakPolarHBondContact O-CD 3.1Å |
| 101 | N | 79.7 | Confident | 74 | Confident | 81 Ų | 81 | 111.3 Ų | 111.3 | 43% | 0.433 | 62% | 0.623 | S | S | . | * | | | trans | -49.8 | 108.2 | 178 | 176.1 | -10.7 | 0 | 0 | 0 | 109.2 | D99 R103 A104 A105 | D99-N101 PolarHBondContact O-N 3.02Å; N101-R103 PolarHBondContact O-N 3.28Å; N101-R103 WeakPolarHBondContact OD1-CB 3.1Å; N101-R103 PolarHBondContact OD1-N 3.34Å; N101-R103 VanDerWaalsContact OD1-N 3.17Å; N101-A104 HydrophobicContact CB-CB 4.17Å; N101-A104 PolarHBondContact O-N 3.2Å; N101-A105 PolarHBondContact O-N 3.14Å; N101-A105 VanDerWaalsContact O-N 3.08Å |
| 102 | P | 81.5 | Confident | 76.1 | Confident | 99 Ų | 99 | 112.7 Ų | 112.7 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.3 | -23.4 | -166.6 | 25.9 | -34.3 | 0 | 0 | 0 | 111.6 | P100 A105 L106 | P100-P102 WeakPolarHBondContact O-CD 3.1Å; P102-A105 PolarHBondContact O-N 2.84Å; P102-L106 WeakPolarHBondContact O-CB 3.26Å; P102-L106 PolarHBondContact O-N 3.41Å |
| 103 | R | 84.7 | Confident | 78.3 | Confident | 193 Ų | 193 | 109.3 Ų | 109.3 | 73% | 0.728 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.7 | -47.8 | 173 | -61.3 | -179.2 | 172.6 | 127.5 | -1.8 | 110.6 | N101 A105 L106 E107 | N101-R103 PolarHBondContact O-N 3.28Å; N101-R103 WeakPolarHBondContact OD1-CB 3.1Å; N101-R103 PolarHBondContact OD1-N 3.34Å; N101-R103 VanDerWaalsContact OD1-N 3.17Å; R103-A105 VanDerWaalsContact C-N 3.27Å; R103-A105 PolarHBondContact O-N 3.08Å; R103-L106 PolarHBondContact O-N 3.08Å; R103-E107 WeakPolarHBondContact O-CB 3.44Å; R103-E107 VanDerWaalsContact O-CG 3.3Å; R103-E107 WeakPolarHBondContact O-CG 3.41Å; R103-E107 PolarHBondContact O-N 3.14Å |
| 104 | A | 87.8 | Confident | 80.3 | Confident | 20 Ų | 20 | 112 Ų | 112 | 17% | 0.165 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -68.7 | -25.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N101 R108 | N101-A104 HydrophobicContact CB-CB 4.17Å; N101-A104 PolarHBondContact O-N 3.2Å; A104-R108 VanDerWaalsContact C-NH1 3.31Å; A104-R108 VanDerWaalsContact O-CG 3.29Å; A104-R108 WeakPolarHBondContact O-CG 3.23Å; A104-R108 PolarHBondContact O-N 3.39Å; A104-R108 PolarHBondContact O-NH1 3.38Å |
| 105 | A | 89.2 | Confident | 82.3 | Confident | 56 Ų | 56 | 110.5 Ų | 110.5 | 46% | 0.463 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.5 | -44.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N101 P102 R103 R108 Q109 | N101-A105 PolarHBondContact O-N 3.14Å; N101-A105 VanDerWaalsContact O-N 3.08Å; P102-A105 PolarHBondContact O-N 2.84Å; R103-A105 VanDerWaalsContact C-N 3.27Å; R103-A105 PolarHBondContact O-N 3.08Å; A105-R108 PolarHBondContact O-N 2.8Å; A105-Q109 PolarHBondContact O-N 3.26Å |
| 106 | L | 92.5 | Very high | 84.3 | Confident | 90 Ų | 90 | 111.5 Ų | 111.5 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -43.7 | 176.2 | -179.6 | 63.6 | 0 | 0 | 0 | 112.1 | P102 R103 R108 Q109 Q110 | P102-L106 WeakPolarHBondContact O-CB 3.26Å; P102-L106 PolarHBondContact O-N 3.41Å; R103-L106 PolarHBondContact O-N 3.08Å; L106-R108 PolarHBondContact O-N 3.34Å; L106-Q109 WeakPolarHBondContact O-CB 3.43Å; L106-Q109 PolarHBondContact O-N 3.21Å; L106-Q109 VanDerWaalsContact O-N 3.16Å; L106-Q110 HydrophobicContact CD1-CG 4.49Å; L106-Q110 WeakPolarHBondContact O-CG 3.39Å; L106-Q110 PolarHBondContact O-N 3.07Å |
| 107 | E | 93.1 | Very high | 86.3 | Confident | 120 Ų | 120 | 114.7 Ų | 114.7 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.3 | -44.1 | 175.5 | -74.5 | 163.7 | -175.2 | 0 | 0 | 111.7 | R103 Q109 Q110 L111 | R103-E107 WeakPolarHBondContact O-CB 3.44Å; R103-E107 VanDerWaalsContact O-CG 3.3Å; R103-E107 WeakPolarHBondContact O-CG 3.41Å; R103-E107 PolarHBondContact O-N 3.14Å; E107-Q109 PolarHBondContact O-N 2.74Å; E107-Q110 PolarHBondContact O-N 2.83Å; E107-L111 WeakPolarHBondContact O-CB 3.43Å; E107-L111 PolarHBondContact O-N 2.86Å |
| 108 | R | 93.3 | Very high | 87.9 | Confident | 165 Ų | 165 | 112 Ų | 112 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -38.1 | 173.9 | -73.7 | 177.1 | -174.5 | 96 | -10.3 | 112.3 | A104 A105 L106 R112 | A104-R108 VanDerWaalsContact C-NH1 3.31Å; A104-R108 VanDerWaalsContact O-CG 3.29Å; A104-R108 WeakPolarHBondContact O-CG 3.23Å; A104-R108 PolarHBondContact O-N 3.39Å; A104-R108 PolarHBondContact O-NH1 3.38Å; A105-R108 PolarHBondContact O-N 2.8Å; L106-R108 PolarHBondContact O-N 3.34Å; R108-R112 VanDerWaalsContact O-CB 3.31Å; R108-R112 WeakPolarHBondContact O-CB 3.44Å; R108-R112 PolarHBondContact O-N 3.26Å |
| 109 | Q | 94.4 | Very high | 89.3 | Confident | 118 Ų | 118 | 111.6 Ų | 111.6 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | 175 | 178.5 | 175 | -43.5 | 0 | 0 | 111.7 | A105 L106 E107 R112 L113 | A105-Q109 PolarHBondContact O-N 3.26Å; L106-Q109 WeakPolarHBondContact O-CB 3.43Å; L106-Q109 PolarHBondContact O-N 3.21Å; L106-Q109 VanDerWaalsContact O-N 3.16Å; E107-Q109 PolarHBondContact O-N 2.74Å; Q109-R112 PolarHBondContact O-N 2.89Å; Q109-L113 HydrophobicContact CG-CD1 4.26Å; Q109-L113 WeakPolarHBondContact O-CG 3.37Å; Q109-L113 PolarHBondContact O-N 2.78Å |
| 110 | Q | 95.1 | Very high | 90.5 | Very high | 98 Ų | 98 | 111.6 Ų | 111.6 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.2 | -72.6 | 179.9 | 8.5 | 0 | 0 | 111.7 | L106 E107 L113 R114 | L106-Q110 HydrophobicContact CD1-CG 4.49Å; L106-Q110 WeakPolarHBondContact O-CG 3.39Å; L106-Q110 PolarHBondContact O-N 3.07Å; E107-Q110 PolarHBondContact O-N 2.83Å; Q110-L113 PolarHBondContact O-N 2.82Å; Q110-R114 PolarHBondContact O-N 3.49Å |
| 111 | L | 95.2 | Very high | 91.2 | Very high | 81 Ų | 81 | 113.2 Ų | 113.2 | 42% | 0.424 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.7 | -50.9 | 174.3 | -177.9 | 65.3 | 0 | 0 | 0 | 110.5 | E107 L113 R114 E115 | E107-L111 WeakPolarHBondContact O-CB 3.43Å; E107-L111 PolarHBondContact O-N 2.86Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 2.77Å; L111-R114 WeakPolarHBondContact O-CB 3.47Å; L111-R114 PolarHBondContact O-N 2.87Å; L111-R114 VanDerWaalsContact O-N 3.09Å; L111-E115 HydrophobicContact CD1-CG 4.47Å; L111-E115 HydrophobicContact CG-CG 4.42Å; L111-E115 WeakPolarHBondContact O-CG 3.47Å; L111-E115 PolarHBondContact O-N 2.93Å |
| 112 | R | 95.1 | Very high | 91.3 | Very high | 158 Ų | 158 | 112.6 Ų | 112.6 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.1 | -32.7 | 178 | -165.7 | -172.3 | 171.5 | -175.4 | -0.9 | 112.7 | R108 Q109 R116 | R108-R112 VanDerWaalsContact O-CB 3.31Å; R108-R112 WeakPolarHBondContact O-CB 3.44Å; R108-R112 PolarHBondContact O-N 3.26Å; Q109-R112 PolarHBondContact O-N 2.89Å; R112-R116 WeakPolarHBondContact O-CG 3.26Å; R112-R116 PolarHBondContact O-N 2.73Å; R112-R116 PolarHBondContact O-NE 3.47Å; R112-R116 PolarHBondContact O-NH2 3.31Å |
| 113 | L | 95.8 | Very high | 91.3 | Very high | 90 Ų | 90 | 113 Ų | 113 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -46.4 | 173 | -75.2 | 167.3 | 0 | 0 | 0 | 111.3 | Q109 Q110 L111 E115 R116 Q117 | Q109-L113 HydrophobicContact CG-CD1 4.26Å; Q109-L113 WeakPolarHBondContact O-CG 3.37Å; Q109-L113 PolarHBondContact O-N 2.78Å; Q110-L113 PolarHBondContact O-N 2.82Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 2.77Å; L113-E115 PolarHBondContact O-N 3.04Å; L113-R116 PolarHBondContact O-N 2.75Å; L113-Q117 PolarHBondContact O-N 3.44Å |
| 114 | R | 95.9 | Very high | 90.8 | Very high | 158 Ų | 158 | 109.7 Ų | 109.7 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 176.5 | -171.6 | -175 | -63.4 | 142.2 | 1.7 | 112.4 | Q110 L111 R116 Q117 K118 | Q110-R114 PolarHBondContact O-N 3.49Å; L111-R114 WeakPolarHBondContact O-CB 3.47Å; L111-R114 PolarHBondContact O-N 2.87Å; L111-R114 VanDerWaalsContact O-N 3.09Å; R114-R116 PolarHBondContact O-N 3Å; R114-Q117 PolarHBondContact O-N 3.4Å; R114-K118 WeakPolarHBondContact O-CB 3.34Å; R114-K118 PolarHBondContact O-N 2.86Å |
| 115 | E | 95.6 | Very high | 89.8 | Confident | 109 Ų | 109 | 114.8 Ų | 114.8 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 174.9 | -73 | 169.2 | 165.5 | 0 | 0 | 111.9 | L111 L113 K118 F119 | L111-E115 HydrophobicContact CD1-CG 4.47Å; L111-E115 HydrophobicContact CG-CG 4.42Å; L111-E115 WeakPolarHBondContact O-CG 3.47Å; L111-E115 PolarHBondContact O-N 2.93Å; L113-E115 PolarHBondContact O-N 3.04Å; E115-K118 PolarHBondContact O-N 3.07Å; E115-F119 WeakPolarHBondContact O-CB 3.41Å; E115-F119 PolarHBondContact O-N 3.28Å |
| 116 | R | 95.7 | Very high | 88.7 | Confident | 98 Ų | 98 | 116.6 Ų | 116.6 | 37% | 0.37 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 174.8 | -79.2 | 172.8 | -72.6 | -166.3 | 0.4 | 112.1 | R112 L113 R114 F119 F120 | R112-R116 WeakPolarHBondContact O-CG 3.26Å; R112-R116 PolarHBondContact O-N 2.73Å; R112-R116 PolarHBondContact O-NE 3.47Å; R112-R116 PolarHBondContact O-NH2 3.31Å; L113-R116 PolarHBondContact O-N 2.75Å; R114-R116 PolarHBondContact O-N 3Å; R116-F119 PolarHBondContact O-N 3.41Å; R116-F120 WeakPolarHBondContact O-CD2 3.34Å; R116-F120 PolarHBondContact O-N 3.5Å; R116-F120 VanDerWaalsContact O-N 3.08Å |
| 117 | Q | 92.6 | Very high | 87.2 | Confident | 140 Ų | 140 | 120.8 Ų | 120.8 | 65% | 0.654 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.7 | -47.8 | 175.1 | -175.9 | 176.5 | -0.2 | 0 | 0 | 111.1 | L113 R114 F119 F120 E121 | L113-Q117 PolarHBondContact O-N 3.44Å; R114-Q117 PolarHBondContact O-N 3.4Å; Q117-F119 VanDerWaalsContact C-N 3.31Å; Q117-F119 PolarHBondContact O-N 3.28Å; Q117-F120 PolarHBondContact O-N 2.88Å; Q117-F120 VanDerWaalsContact O-N 3.14Å; Q117-E121 PolarHBondContact O-N 2.77Å |
| 118 | K | 92.6 | Very high | 85.6 | Confident | 114 Ų | 114 | 119.5 Ų | 119.5 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.8 | -42.7 | 174.5 | -167.5 | -170.2 | -177.6 | -72.4 | 0 | 111.8 | R114 E115 F120 E121 D122 | R114-K118 WeakPolarHBondContact O-CB 3.34Å; R114-K118 PolarHBondContact O-N 2.86Å; E115-K118 PolarHBondContact O-N 3.07Å; K118-F120 VanDerWaalsContact C-N 3.3Å; K118-F120 PolarHBondContact O-N 3.09Å; K118-E121 CarbonylContact O-C 3.58Å; K118-E121 WeakPolarHBondContact O-CB 3.31Å; K118-E121 PolarHBondContact O-N 2.94Å; K118-E121 VanDerWaalsContact O-N 3.12Å; K118-D122 VanDerWaalsContact NZ-CG 3.34Å; K118-D122 IonicContact NZ-OD1 3.15Å; K118-D122 PolarHBondContact NZ-OD1 3.21Å; K118-D122 VanDerWaalsContact NZ-OD1 3.15Å; K118-D122 IonicContact NZ-OD2 2.68Å; K118-D122 PolarHBondContact NZ-OD2 3.24Å; K118-D122 WeakPolarHBondContact O-CB 3.48Å; K118-D122 VanDerWaalsContact O-CG 3.24Å; K118-D122 PolarHBondContact O-N 3.26Å |
| 119 | F | 92.6 | Very high | 83.9 | Confident | 123 Ų | 123 | 120.9 Ų | 120.9 | 54% | 0.539 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -35.4 | 177.5 | 179.9 | -96.4 | 0 | 0 | 0 | 112.8 | E115 R116 Q117 I123 | E115-F119 WeakPolarHBondContact O-CB 3.41Å; E115-F119 PolarHBondContact O-N 3.28Å; R116-F119 PolarHBondContact O-N 3.41Å; Q117-F119 VanDerWaalsContact C-N 3.31Å; Q117-F119 PolarHBondContact O-N 3.28Å; F119-I123 HydrophobicContact CD1-CD1 4.03Å; F119-I123 HydrophobicContact CD2-CD1 4.06Å; F119-I123 HydrophobicContact CE1-CD1 3.49Å; F119-I123 VanDerWaalsContact CE1-CD1 3.49Å; F119-I123 HydrophobicContact CE2-CD1 3.52Å; F119-I123 HydrophobicContact CE2-CG1 4.5Å; F119-I123 HydrophobicContact CG-CD1 4.3Å; F119-I123 HydrophobicContact CZ-CD1 3.22Å; F119-I123 WeakPolarHBondContact O-CB 3.49Å; F119-I123 WeakPolarHBondContact O-CG1 3.35Å; F119-I123 PolarHBondContact O-N 2.94Å; F119-I123 VanDerWaalsContact O-N 3.08Å |
| 120 | F | 88.1 | Confident | 82 | Confident | 127 Ų | 127 | 123.5 Ų | 123.5 | 56% | 0.557 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.4 | -40.2 | 171.2 | -75.8 | -66.7 | 0 | 0 | 0 | 112.1 | R116 Q117 K118 L124 | R116-F120 WeakPolarHBondContact O-CD2 3.34Å; R116-F120 PolarHBondContact O-N 3.5Å; R116-F120 VanDerWaalsContact O-N 3.08Å; Q117-F120 PolarHBondContact O-N 2.88Å; Q117-F120 VanDerWaalsContact O-N 3.14Å; K118-F120 VanDerWaalsContact C-N 3.3Å; K118-F120 PolarHBondContact O-N 3.09Å; F120-L124 HydrophobicContact CB-CD1 4.42Å; F120-L124 HydrophobicContact CD1-CD1 4.38Å; F120-L124 WeakPolarHBondContact O-CA 3.36Å; F120-L124 WeakPolarHBondContact O-CB 3.37Å; F120-L124 VanDerWaalsContact O-CG 3.26Å; F120-L124 WeakPolarHBondContact O-CG 3.36Å; F120-L124 PolarHBondContact O-N 2.92Å |
| 121 | E | 84.6 | Confident | 80 | Confident | 139 Ų | 139 | 123.5 Ų | 123.5 | 65% | 0.65 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.2 | -38.5 | 175 | -171.6 | 176.3 | -176.7 | 0 | 0 | 112.6 | Q117 K118 Q125 | Q117-E121 PolarHBondContact O-N 2.77Å; K118-E121 CarbonylContact O-C 3.58Å; K118-E121 WeakPolarHBondContact O-CB 3.31Å; K118-E121 PolarHBondContact O-N 2.94Å; K118-E121 VanDerWaalsContact O-N 3.12Å; E121-Q125 WeakPolarHBondContact O-CA 3.38Å; E121-Q125 WeakPolarHBondContact O-CG 3.48Å; E121-Q125 PolarHBondContact O-N 3.49Å; E121-Q125 VanDerWaalsContact O-N 3.09Å |
| 122 | D | 82.4 | Confident | 78.1 | Confident | 68 Ų | 68 | 127.2 Ų | 127.2 | 36% | 0.364 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.8 | -32.6 | 178.3 | -70.4 | -29.7 | 0 | 0 | 0 | 112.5 | K118 Q125 | K118-D122 VanDerWaalsContact NZ-CG 3.34Å; K118-D122 IonicContact NZ-OD1 3.15Å; K118-D122 PolarHBondContact NZ-OD1 3.21Å; K118-D122 VanDerWaalsContact NZ-OD1 3.15Å; K118-D122 IonicContact NZ-OD2 2.68Å; K118-D122 PolarHBondContact NZ-OD2 3.24Å; K118-D122 WeakPolarHBondContact O-CB 3.48Å; K118-D122 VanDerWaalsContact O-CG 3.24Å; K118-D122 PolarHBondContact O-N 3.26Å; D122-Q125 WeakPolarHBondContact O-CG 3.42Å |
| 123 | I | 81.8 | Confident | 76.3 | Confident | 107 Ų | 107 | 123.2 Ų | 123.2 | 55% | 0.549 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -93.5 | -36.4 | -179.7 | -70.3 | -176.7 | 0 | 0 | 0 | 112.6 | F119 Q125 | F119-I123 HydrophobicContact CD1-CD1 4.03Å; F119-I123 HydrophobicContact CD2-CD1 4.06Å; F119-I123 HydrophobicContact CE1-CD1 3.49Å; F119-I123 VanDerWaalsContact CE1-CD1 3.49Å; F119-I123 HydrophobicContact CE2-CD1 3.52Å; F119-I123 HydrophobicContact CE2-CG1 4.5Å; F119-I123 HydrophobicContact CG-CD1 4.3Å; F119-I123 HydrophobicContact CZ-CD1 3.22Å; F119-I123 WeakPolarHBondContact O-CB 3.49Å; F119-I123 WeakPolarHBondContact O-CG1 3.35Å; F119-I123 PolarHBondContact O-N 2.94Å; F119-I123 VanDerWaalsContact O-N 3.08Å; I123-Q125 PolarHBondContact O-N 3.24Å |
| 124 | L | 74 | Confident | 74.5 | Confident | 125 Ų | 125 | 125.8 Ų | 125.8 | 65% | 0.654 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -85.4 | 22.7 | 168.8 | -52.6 | 173.2 | 0 | 0 | 0 | 110.5 | F120 P126 | F120-L124 HydrophobicContact CB-CD1 4.42Å; F120-L124 HydrophobicContact CD1-CD1 4.38Å; F120-L124 WeakPolarHBondContact O-CA 3.36Å; F120-L124 WeakPolarHBondContact O-CB 3.37Å; F120-L124 VanDerWaalsContact O-CG 3.26Å; F120-L124 WeakPolarHBondContact O-CG 3.36Å; F120-L124 PolarHBondContact O-N 2.92Å; L124-P126 VanDerWaalsContact O-CD 3.23Å; L124-P126 WeakPolarHBondContact O-CD 3.19Å |
| 125 | Q | 67.3 | Low | 72.6 | Confident | 127 Ų | 127 | 121.3 Ų | 121.3 | 59% | 0.593 | 60% | 0.599 | S | S | * | * | | | trans | -48 | 113.5 | 166.3 | -94.5 | -176.2 | 9 | 0 | 0 | 106.5 | E121 D122 I123 E127 | E121-Q125 WeakPolarHBondContact O-CA 3.38Å; E121-Q125 WeakPolarHBondContact O-CG 3.48Å; E121-Q125 PolarHBondContact O-N 3.49Å; E121-Q125 VanDerWaalsContact O-N 3.09Å; D122-Q125 WeakPolarHBondContact O-CG 3.42Å; I123-Q125 PolarHBondContact O-N 3.24Å; Q125-E127 PolarHBondContact O-N 2.91Å |
| 126 | P | 64.6 | Low | 70.6 | Confident | 93 Ų | 93 | 123.3 Ų | 123.3 | 60% | 0.604 | 61% | 0.608 | S | S | * | * | | | trans | -64.3 | 129.7 | 179.8 | 26.5 | -32.4 | 0 | 0 | 0 | 106.5 | L124 T128 | L124-P126 VanDerWaalsContact O-CD 3.23Å; L124-P126 WeakPolarHBondContact O-CD 3.19Å; P126-T128 HydrophobicContact CB-CG2 3.86Å; P126-T128 WeakPolarHBondContact CB-OG1 3.47Å; P126-T128 WeakPolarHBondContact CG-OG1 3.33Å; P126-T128 PolarHBondContact O-N 3.39Å; P126-T128 PolarHBondContact O-OG1 3.33Å |
| 127 | E | 61.4 | Low | 68.7 | Low | 179 Ų | 179 | 124.8 Ų | 124.8 | 84% | 0.836 | 62% | 0.623 | S | S | * | * | | | trans | -69 | 31.4 | 174.5 | -60.6 | 175.4 | 156.2 | 0 | 0 | 111.2 | Q125 E129 F130 | Q125-E127 PolarHBondContact O-N 2.91Å; E127-E129 PolarHBondContact O-N 2.77Å; E127-E129 VanDerWaalsContact O-N 3.14Å; E127-F130 WeakPolarHBondContact O-CA 3.43Å; E127-F130 PolarHBondContact O-N 3.47Å |
| 128 | T | 59 | Low | 67.1 | Low | 93 Ų | 93 | 126.3 Ų | 126.3 | 57% | 0.571 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 12.1 | -176.2 | 43.2 | 0 | 0 | 0 | 0 | 114.1 | P126 V131 | P126-T128 HydrophobicContact CB-CG2 3.86Å; P126-T128 WeakPolarHBondContact CB-OG1 3.47Å; P126-T128 WeakPolarHBondContact CG-OG1 3.33Å; P126-T128 PolarHBondContact O-N 3.39Å; P126-T128 PolarHBondContact O-OG1 3.33Å; T128-V131 WeakPolarHBondContact O-CG2 3.48Å |
| 129 | E | 58 | Low | 65.5 | Low | 194 Ų | 194 | 128 Ų | 128 | 91% | 0.907 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -2.4 | 156.9 | -68.2 | -171.1 | -176.6 | 0 | 0 | 112.4 | E127 V131 | E127-E129 PolarHBondContact O-N 2.77Å; E127-E129 VanDerWaalsContact O-N 3.14Å; E129-V131 VanDerWaalsContact C-N 3.26Å |
| 130 | F | 54.1 | Low | 63.9 | Low | 172 Ų | 172 | 127.2 Ų | 127.2 | 75% | 0.754 | 64% | 0.641 | S | S | * | * | | | trans | -94.8 | 50.4 | 148.2 | -92.4 | -87.9 | 0 | 0 | 0 | 111 | E127 F132 | E127-F130 WeakPolarHBondContact O-CA 3.43Å; E127-F130 PolarHBondContact O-N 3.47Å; F130-F132 PolarHBondContact O-N 3.12Å |
| 131 | V | 54.3 | Low | 62.4 | Low | 99 Ų | 99 | 127.2 Ų | 127.2 | 60% | 0.6 | 66% | 0.657 | S | S | * | * | | | trans | -59.6 | 95.6 | 139.1 | 173.4 | 0 | 0 | 0 | 0 | 105.5 | T128 E129 P133 | T128-V131 WeakPolarHBondContact O-CG2 3.48Å; E129-V131 VanDerWaalsContact C-N 3.26Å; V131-P133 VanDerWaalsContact O-CD 3.26Å; V131-P133 WeakPolarHBondContact O-CD 3.33Å |
| 132 | F | 55.7 | Low | 61.1 | Low | 158 Ų | 158 | 129.3 Ų | 129.3 | 69% | 0.693 | 67% | 0.667 | S | S | * | * | | | trans | -45.2 | 113.7 | 156.3 | -99.4 | -91.7 | 0 | 0 | 0 | 105.6 | F130 L134 | F130-F132 PolarHBondContact O-N 3.12Å; F132-L134 PolarHBondContact O-N 3.03Å |
| 133 | P | 57.2 | Low | 60.2 | Low | 75 Ų | 75 | 133.4 Ų | 133.4 | 49% | 0.487 | 68% | 0.677 | S | S | . | * | | | trans | -62.9 | 125.3 | -176.8 | 26.2 | -33.2 | 0 | 0 | 0 | 106.5 | V131 S135 H136 | V131-P133 VanDerWaalsContact O-CD 3.26Å; V131-P133 WeakPolarHBondContact O-CD 3.33Å; P133-S135 WeakPolarHBondContact CB-OG 3.29Å; P133-S135 PolarHBondContact O-N 2.74Å; P133-S135 PolarHBondContact O-OG 2.73Å; P133-H136 PolarHBondContact O-N 3.49Å |
| 134 | L | 56.7 | Low | 59.4 | Low | 143 Ų | 143 | 133.2 Ų | 133.2 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -60.3 | -2.3 | -179.7 | -69.6 | 165.3 | 0 | 0 | 0 | 112.4 | F132 H136 L137 | F132-L134 PolarHBondContact O-N 3.03Å; L134-H136 PolarHBondContact O-N 3.09Å; L134-L137 HydrophobicContact CD2-CD1 4.46Å; L134-L137 PolarHBondContact O-N 2.81Å |
| 135 | S | 55.8 | Low | 58.9 | Low | 64 Ų | 64 | 133.5 Ų | 133.5 | 45% | 0.448 | 69% | 0.692 | S | S | . | * | G | 310 helix | trans | -54.8 | -21.2 | 168.1 | 57.6 | 0 | 0 | 0 | 0 | 115 | P133 L137 H138 | P133-S135 WeakPolarHBondContact CB-OG 3.29Å; P133-S135 PolarHBondContact O-N 2.74Å; P133-S135 PolarHBondContact O-OG 2.73Å; S135-L137 VanDerWaalsContact C-N 3.28Å; S135-H138 PolarHBondContact O-N 3.34Å |
| 136 | H | 54.6 | Low | 58.8 | Low | 151 Ų | 151 | 133.7 Ų | 133.7 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -81 | -5 | 174 | -67.7 | -80.9 | 0 | 0 | 0 | 113.9 | P133 L134 H138 | P133-H136 PolarHBondContact O-N 3.49Å; L134-H136 PolarHBondContact O-N 3.09Å; H136-H138 PolarHBondContact O-N 2.98Å |
| 137 | L | 54.5 | Low | 58.8 | Low | 130 Ų | 130 | 132.4 Ų | 132.4 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -86.8 | 27.9 | 162 | -71.4 | 174.8 | 0 | 0 | 0 | 112.6 | L134 S135 L139 | L134-L137 HydrophobicContact CD2-CD1 4.46Å; L134-L137 PolarHBondContact O-N 2.81Å; S135-L137 VanDerWaalsContact C-N 3.28Å; L137-L139 PolarHBondContact O-N 3.08Å |
| 138 | H | 59.7 | Low | 58.5 | Low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | | | trans | -69.4 | 62.1 | 150.7 | -80.8 | -165.8 | 0 | 0 | 0 | 110 | S135 H136 E140 | S135-H138 PolarHBondContact O-N 3.34Å; H136-H138 PolarHBondContact O-N 2.98Å; H138-E140 PolarHBondContact O-N 2.85Å |
| 139 | L | 58.4 | Low | 58.6 | Low | 149 Ų | 149 | 132.4 Ų | 132.4 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | | | trans | -76.7 | 92.2 | 173.6 | -157 | 78.4 | 0 | 0 | 0 | 108.1 | L137 | L137-L139 PolarHBondContact O-N 3.08Š|
| 140 | E | 59.5 | Low | 58.7 | Low | 107 Ų | 107 | 128.7 Ų | 128.7 | 50% | 0.5 | 71% | 0.706 | S | S | . | * | | | trans | 65.9 | 65.3 | 147.1 | -162 | 64.4 | -86.8 | 0 | 0 | 116.4 | H138 Q142 R143 | H138-E140 PolarHBondContact O-N 2.85Å; E140-Q142 VanDerWaalsContact C-N 3.34Å; E140-R143 VanDerWaalsContact CD-CB 3.43Å; E140-R143 HydrophobicContact CG-CB 3.32Å; E140-R143 HydrophobicContact CG-CG 4.42Å; E140-R143 PolarHBondContact OE1-N 3.17Å |
| 141 | S | 57.9 | Low | 59.2 | Low | 127 Ų | 127 | 125.2 Ų | 125.2 | 89% | 0.888 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -87.5 | 1.8 | 163.5 | 64.5 | 0 | 0 | 0 | 0 | 114 | | |
| 142 | Q | 56.5 | Low | 60 | Low | 183 Ų | 183 | 128 Ų | 128 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -105.9 | -17.6 | 179.3 | -72 | -159.6 | 47.3 | 0 | 0 | 114.5 | E140 | E140-Q142 VanDerWaalsContact C-N 3.34Š|
| 143 | R | 64.2 | Low | 60.9 | Low | 153 Ų | 153 | 128.6 Ų | 128.6 | 58% | 0.577 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -72.4 | 129.4 | 166 | -162.3 | 178.7 | -169.4 | 91.9 | 3.1 | 109.9 | E140 | E140-R143 VanDerWaalsContact CD-CB 3.43Å; E140-R143 HydrophobicContact CG-CB 3.32Å; E140-R143 HydrophobicContact CG-CG 4.42Å; E140-R143 PolarHBondContact OE1-N 3.17Å |
| 144 | P | 63.1 | Low | 61.7 | Low | 103 Ų | 103 | 130.3 Ų | 130.3 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 145.5 | 167.6 | -24.6 | 34.1 | 0 | 0 | 0 | 110.5 | I146 | P144-I146 PolarHBondContact O-N 2.97Š|
| 145 | P | 65 | Low | 62.5 | Low | 131 Ų | 131 | 129.2 Ų | 129.2 | 85% | 0.851 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 119.1 | -178.2 | -28.2 | 34.8 | 0 | 0 | 0 | 111.2 | G147 | P145-G147 PolarHBondContact O-N 3.35Å; P145-G147 VanDerWaalsContact O-N 3.08Å |
| 146 | I | 64 | Low | 63 | Low | 131 Ų | 131 | 132.3 Ų | 132.3 | 67% | 0.672 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 118.2 | 178.7 | -52.2 | 175.6 | 0 | 0 | 0 | 106.6 | P144 S148 | P144-I146 PolarHBondContact O-N 2.97Å; I146-S148 PolarHBondContact O-N 3.33Å |
| 147 | G | 65.9 | Low | 64 | Low | 66 Ų | 66 | 131.5 Ų | 131.5 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -56 | 122.2 | -166 | 0 | 0 | 0 | 0 | 0 | 112.9 | P145 | P145-G147 PolarHBondContact O-N 3.35Å; P145-G147 VanDerWaalsContact O-N 3.08Å |
| 148 | S | 53.9 | Low | 64.6 | Low | 122 Ų | 122 | 131.4 Ų | 131.4 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | | | trans | 50.8 | 76.6 | 160.3 | -53.9 | 0 | 0 | 0 | 0 | 116.1 | I146 S150 | I146-S148 PolarHBondContact O-N 3.33Å; S148-S150 PolarHBondContact O-N 2.84Å |
| 149 | I | 61.1 | Low | 64.8 | Low | 150 Ų | 150 | 131.4 Ų | 131.4 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | trans | -64.3 | 128.9 | 149.1 | 60.2 | 172.9 | 0 | 0 | 0 | 108.3 | S151 | I149-S151 PolarHBondContact O-N 2.85Š|
| 150 | S | 59.7 | Low | 65.2 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | -71.4 | 102.8 | 173 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | S148 M152 | S148-S150 PolarHBondContact O-N 2.84Å; S150-M152 PolarHBondContact O-N 3.49Å |
| 151 | S | 65 | Low | 65 | Low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | trans | -69 | 96.8 | 166 | -62.6 | 0 | 0 | 0 | 0 | 107.8 | I149 E153 | I149-S151 PolarHBondContact O-N 2.85Å; S151-E153 VanDerWaalsContact C-N 3.3Å; S151-E153 PolarHBondContact O-N 3.16Å |
| 152 | M | 72.1 | Confident | 65 | Low | 159 Ų | 159 | 134.2 Ų | 134.2 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | | | trans | -71.7 | 92.4 | 169.4 | -173.6 | 164.7 | 66.5 | 0 | 0 | 107.8 | S150 V154 | S150-M152 PolarHBondContact O-N 3.49Å; M152-V154 PolarHBondContact O-N 3.47Å; M152-V154 VanDerWaalsContact O-N 3.11Å |
| 153 | E | 73.8 | Confident | 65.2 | Low | 169 Ų | 169 | 133.9 Ų | 133.9 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | -59.6 | 112.4 | 168.8 | 58.3 | -166.1 | 90.9 | 0 | 0 | 108.6 | S151 | S151-E153 VanDerWaalsContact C-N 3.3Å; S151-E153 PolarHBondContact O-N 3.16Å |
| 154 | V | 74.1 | Confident | 64.9 | Low | 111 Ų | 111 | 133.9 Ų | 133.9 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | | | trans | -89 | 110.7 | 174 | -174.9 | 0 | 0 | 0 | 0 | 106.2 | M152 V156 | M152-V154 PolarHBondContact O-N 3.47Å; M152-V154 VanDerWaalsContact O-N 3.11Å; V154-V156 PolarHBondContact O-N 2.96Å |
| 155 | N | 73.4 | Confident | 64.7 | Low | 120 Ų | 120 | 136.3 Ų | 136.3 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | | | trans | -59.8 | 108.8 | 174.6 | -67.9 | 7.1 | 0 | 0 | 0 | 108.8 | D157 | N155-D157 PolarHBondContact O-N 2.83Š|
| 156 | V | 66.8 | Low | 64.6 | Low | 129 Ų | 129 | 135.8 Ų | 135.8 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | | | trans | -82.8 | 88.4 | 167.7 | -76.2 | 0 | 0 | 0 | 0 | 107.8 | V154 T158 | V154-V156 PolarHBondContact O-N 2.96Å; V156-T158 PolarHBondContact O-N 2.68Å |
| 157 | D | 76.1 | Confident | 64.2 | Low | 134 Ų | 134 | 136.4 Ų | 136.4 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | -60.7 | 104.9 | 174.7 | -67 | -37 | 0 | 0 | 0 | 109.1 | N155 L159 | N155-D157 PolarHBondContact O-N 2.83Å; D157-L159 VanDerWaalsContact C-N 3.27Å; D157-L159 PolarHBondContact O-N 3.15Å |
| 158 | T | 67.1 | Low | 63.7 | Low | 129 Ų | 129 | 136.8 Ų | 136.8 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -72.4 | 86.9 | 172.1 | 51.7 | 0 | 0 | 0 | 0 | 108.7 | V156 E160 | V156-T158 PolarHBondContact O-N 2.68Å; T158-E160 PolarHBondContact O-N 3.13Å |
| 159 | L | 63.8 | Low | 63.7 | Low | 172 Ų | 172 | 138.1 Ų | 138.1 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | | | trans | -68.5 | 71.2 | 163.4 | -82.3 | 166.5 | 0 | 0 | 0 | 109.6 | D157 | D157-L159 VanDerWaalsContact C-N 3.27Å; D157-L159 PolarHBondContact O-N 3.15Å |
| 160 | E | 65.4 | Low | 63.5 | Low | 144 Ų | 144 | 136.9 Ų | 136.9 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | | | trans | -69.4 | 146.2 | 159.6 | -152.3 | -159.4 | 121.7 | 0 | 0 | 108.5 | T158 | T158-E160 PolarHBondContact O-N 3.13Š|
| 161 | Q | 55.4 | Low | 63.4 | Low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | trans | 71.6 | 102.5 | 168.9 | -49.1 | 165.4 | 23.5 | 0 | 0 | 116 | | |
| 162 | V | 59.5 | Low | 63.2 | Low | 143 Ų | 143 | 137 Ų | 137 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | | -163.9 | 142.8 | 89.9 | -88.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 163 | E | 59.6 | Low | 62.6 | Low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | trans | 58.8 | 99.6 | 157.5 | -151.6 | 149.5 | -129.1 | 0 | 0 | 120.1 | I165 | E163-I165 PolarHBondContact O-N 3.33Å; E163-I165 VanDerWaalsContact O-N 3.17Å |
| 164 | L | 57.8 | Low | 62 | Low | 153 Ų | 153 | 132 Ų | 132 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | | | trans | -52.6 | 107.3 | 148.4 | 172.1 | 70.7 | 0 | 0 | 0 | 109.6 | D166 | L164-D166 PolarHBondContact O-N 3.01Å; L164-D166 VanDerWaalsContact O-N 3.15Å |
| 165 | I | 59.7 | Low | 61.5 | Low | 154 Ų | 154 | 131.9 Ų | 131.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | -73.8 | 104.7 | 164.9 | -57.6 | -179.5 | 0 | 0 | 0 | 107.3 | E163 | E163-I165 PolarHBondContact O-N 3.33Å; E163-I165 VanDerWaalsContact O-N 3.17Å |
| 166 | D | 63.3 | Low | 60.6 | Low | 120 Ų | 120 | 136 Ų | 136 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | | | trans | -81.2 | 154.3 | 175.2 | -167.4 | 20.7 | 0 | 0 | 0 | 111.2 | L164 | L164-D166 PolarHBondContact O-N 3.01Å; L164-D166 VanDerWaalsContact O-N 3.15Å |
| 167 | L | 55.6 | Low | 60.4 | Low | 144 Ų | 144 | 136.7 Ų | 136.7 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | 61.1 | 136.2 | -174.6 | -72.9 | 58.7 | 0 | 0 | 0 | 115 | | |
| 168 | G | 55.2 | Low | 59.6 | Low | 74 Ų | 74 | 135.3 Ų | 135.3 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | cis | 116.4 | 81.9 | 10.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 169 | D | 52.6 | Low | 58.9 | Low | 150 Ų | 150 | 135.3 Ų | 135.3 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -141.3 | 107.3 | 168.4 | -165.6 | 14.4 | 0 | 0 | 0 | 111.1 | | |
| 170 | P | 57.9 | Low | 58.6 | Low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | | | trans | -105 | 73.7 | 175.3 | 37.8 | -29 | 0 | 0 | 0 | 111 | G172 | P170-G172 PolarHBondContact O-N 3.4Š|
| 171 | D | 56.6 | Low | 58.1 | Low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | trans | -74.8 | 96 | 168.6 | -167.9 | 21.9 | 0 | 0 | 0 | 110.4 | | |
| 172 | G | 61.5 | Low | 58.6 | Low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | -91.1 | 100.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P170 | P170-G172 PolarHBondContact O-N 3.4Š|
| 173 | A | 60.1 | Low | 58.7 | Low | 82 Ų | 82 | 131.9 Ų | 131.9 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | -143.5 | 153.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 174 | D | 60.7 | Low | 58.5 | Low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | 69.7 | 85.9 | 177 | -104 | 15.5 | 0 | 0 | 0 | 117.3 | | |
| 175 | V | 62.8 | Low | 58 | Low | 109 Ų | 109 | 128.3 Ų | 128.3 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | | | | 66 | 60.2 | 68.1 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | L177 | V175-L177 VanDerWaalsContact C-N 3.31Å; V175-L177 HydrophobicContact CG1-CD1 4.06Å; V175-L177 HydrophobicContact CG1-CG 3.75Å; V175-L177 PolarHBondContact O-N 3.17Å; V175-L177 VanDerWaalsContact O-N 3.1Å |
| 176 | F | 55.3 | Low | 57.5 | Low | 207 Ų | 207 | 126.8 Ų | 126.8 | 91% | 0.908 | 76% | 0.763 | S | S | * | * | | | trans | -74.5 | 88.3 | 151.6 | -74.5 | -77.9 | 0 | 0 | 0 | 109.6 | | |
| 177 | L | 63.1 | Low | 56.5 | Low | 142 Ų | 142 | 129.5 Ų | 129.5 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -61.3 | 134.1 | 165.1 | -80.4 | 159 | 0 | 0 | 0 | 109.8 | V175 C179 | V175-L177 VanDerWaalsContact C-N 3.31Å; V175-L177 HydrophobicContact CG1-CD1 4.06Å; V175-L177 HydrophobicContact CG1-CG 3.75Å; V175-L177 PolarHBondContact O-N 3.17Å; V175-L177 VanDerWaalsContact O-N 3.1Å; L177-C179 PolarHBondContact O-N 2.78Å |
| 178 | P | 59.3 | Low | 55.6 | Low | 105 Ų | 105 | 128.3 Ų | 128.3 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | trans | -66.3 | 125 | 164.7 | 28.5 | -31.9 | 0 | 0 | 0 | 108.8 | E180 | P178-E180 VanDerWaalsContact C-N 3.33Å; P178-E180 PolarHBondContact O-N 3.17Å |
| 179 | C | 51.4 | Low | 54.9 | Low | 130 Ų | 130 | 130.8 Ų | 130.8 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | | | trans | -76.1 | 85 | 173.5 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | L177 | L177-C179 PolarHBondContact O-N 2.78Š|
| 180 | E | 57.4 | Low | 54.3 | Low | 185 Ų | 185 | 127.5 Ų | 127.5 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -87.4 | 96.1 | 165.7 | -69.6 | -161.4 | 110.2 | 0 | 0 | 110.4 | P178 | P178-E180 VanDerWaalsContact C-N 3.33Å; P178-E180 PolarHBondContact O-N 3.17Å |
| 181 | D | 56.4 | Low | 53.4 | Low | 139 Ų | 139 | 128.3 Ų | 128.3 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -157.9 | 119.4 | 150.3 | -145.5 | -5.4 | 0 | 0 | 0 | 111.1 | | |
| 182 | P | 64.3 | Low | 52.5 | Low | 103 Ų | 103 | 127.2 Ų | 127.2 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 142.6 | 173.4 | 31.7 | -33.4 | 0 | 0 | 0 | 111.4 | | |
| 183 | P | 62.3 | Low | 51.4 | Low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 131.3 | -178.4 | 26.7 | -34.3 | 0 | 0 | 0 | 111.5 | T185 | P183-T185 PolarHBondContact O-N 3.05Š|
| 184 | P | 54.7 | Low | 50.4 | Low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 126.9 | 174.9 | 27 | -33.2 | 0 | 0 | 0 | 109.8 | P186 | P184-P186 WeakPolarHBondContact O-CD 3.3Š|
| 185 | T | 48.5 | Very low | 49.1 | Very low | 131 Ų | 131 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 119.1 | 172.4 | 42.9 | 0 | 0 | 0 | 0 | 110.3 | P183 | P183-T185 PolarHBondContact O-N 3.05Š|
| 186 | P | 48 | Very low | 48 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 123.9 | 165.1 | -2.7 | 23.5 | 0 | 0 | 0 | 108.8 | P184 | P184-P186 WeakPolarHBondContact O-CD 3.3Š|
| 187 | Q | 42.4 | Very low | 47.3 | Very low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 144.5 | 177.1 | -59.3 | -179.5 | -60.2 | 0 | 0 | 111.3 | | |
| 188 | S | 38.2 | Very low | 46.4 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | 47.9 | 105.9 | 156 | 62.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 189 | S | 39.3 | Very low | 45.4 | Very low | 126 Ų | 126 | 135 Ų | 135 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | | | | -151 | 137.5 | 117.5 | 63.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 190 | G | 39.4 | Very low | 45.1 | Very low | 81 Ų | 81 | 136.1 Ų | 136.1 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -104.9 | 133.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 191 | V | 39.8 | Very low | 44.5 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | trans | -152.4 | 145.4 | 146.5 | 68.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 192 | D | 38.3 | Very low | 43.9 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | | | trans | -63.7 | 157 | 178.6 | -150.9 | -80.2 | 0 | 0 | 0 | 112.1 | | |
| 193 | N | 37.2 | Very low | 43 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | | 164.1 | 113.2 | 123.3 | -87.1 | -76.9 | 0 | 0 | 0 | 110.5 | | |
| 194 | H | 39.8 | Very low | 42.1 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | -66.5 | 163.2 | 156.9 | -64.9 | -112 | 0 | 0 | 0 | 110 | | |
| 195 | L | 32.8 | Very low | 41.2 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | 146.7 | 136.5 | 133.5 | -173.6 | 63.3 | 0 | 0 | 0 | 112.9 | | |
| 196 | E | 40.8 | Very low | 40.7 | Very low | 160 Ų | 160 | 133 Ų | 133 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | 59.4 | 163.4 | 159.7 | -79.3 | 163.3 | 161 | 0 | 0 | 117.2 | | |
| 197 | E | 40.3 | Very low | 40.6 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | | | cis | -164.8 | 151.7 | -23.7 | -179.8 | -136.7 | 123.6 | 0 | 0 | 103.4 | | |
| 198 | L | 44.6 | Very low | 40.6 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | | | trans | -173.7 | 132.6 | 140.2 | -102.5 | 159.5 | 0 | 0 | 0 | 111.3 | | |
| 199 | S | 36.6 | Very low | 40.8 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | -94.8 | 169.9 | -164.2 | -65.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 200 | L | 45.9 | Very low | 40.8 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | trans | -53.8 | 165.8 | 178.7 | -56.6 | 163 | 0 | 0 | 0 | 114.7 | | |
| 201 | P | 44.5 | Very low | 41.4 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | | | | -145.4 | 166.8 | 98.8 | 32.8 | -14.4 | 0 | 0 | 0 | 117.5 | | |
| 202 | V | 43.3 | Very low | 41.5 | Very low | 114 Ų | 114 | 140 Ų | 140 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | trans | -116.8 | 147.8 | -176 | 169 | 0 | 0 | 0 | 0 | 110.8 | | |
| 203 | P | 47.2 | Very low | 41.5 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | | | | -148.4 | 123.9 | 126.9 | 27.4 | -6.5 | 0 | 0 | 0 | 114.8 | | |
| 204 | T | 41.5 | Very low | 41.8 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | | | | 87.3 | 163.4 | 81.9 | 67.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 205 | S | 37.2 | Very low | 41.6 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | trans | 82.9 | 136.3 | -179 | -73.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 206 | D | 37.9 | Very low | 42.2 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | cis | -156.1 | 169.9 | -6.9 | -122.5 | -49.5 | 0 | 0 | 0 | 114.5 | | |
| 207 | R | 44.9 | Very low | 42.2 | Very low | 234 Ų | 234 | 130.1 Ų | 130.1 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | | | trans | -122.8 | 106.3 | -168.8 | 171.7 | -172.3 | 159.6 | -133.4 | -0.7 | 113.8 | | |
| 208 | T | 42.8 | Very low | 42.3 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | trans | -158.4 | 144.3 | 171.8 | 48.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 209 | T | 43.1 | Very low | 42.3 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | cis | -162 | 141 | -15.6 | 30.4 | 0 | 0 | 0 | 0 | 111 | | |
| 210 | S | 38.3 | Very low | 42.9 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | 40.2 | 126.6 | 136.8 | -41.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 211 | R | 51.6 | Low | 42.7 | Very low | 221 Ų | 221 | 128.8 Ų | 128.8 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | | 162.6 | 131.8 | 101.8 | -84.4 | 176.4 | 84.4 | 154.7 | 3.8 | 115 | | |
| 212 | T | 42.5 | Very low | 43 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | | | trans | 57.5 | 114 | 147.2 | 55.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 213 | S | 39.4 | Very low | 42.8 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | | 74.8 | 138 | 85.6 | -50.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 214 | S | 42.8 | Very low | 42.9 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | cis | -154.2 | 156.6 | 30.9 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 215 | S | 36.5 | Very low | 43.1 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | | 55.1 | 137.5 | 101.4 | -145.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 216 | S | 43.6 | Very low | 43.9 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | | | cis | -165.4 | 160.4 | 17.4 | -14.6 | 0 | 0 | 0 | 0 | 113 | | |
| 217 | S | 41.9 | Very low | 44.3 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | 59 | 104.8 | 141.5 | -51.8 | 0 | 0 | 0 | 0 | 122 | | |
| 218 | D | 42.9 | Very low | 45 | Very low | 174 Ų | 174 | 128 Ų | 128 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | | | trans | -74 | 118.5 | 149.1 | -66.7 | -58.8 | 0 | 0 | 0 | 110.1 | | |
| 219 | S | 43.7 | Very low | 45.4 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | -111.2 | 123.3 | 172.3 | -71 | 0 | 0 | 0 | 0 | 110.9 | | |
| 220 | S | 49.1 | Very low | 45.7 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -62.2 | 137.9 | 173 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 221 | T | 42.6 | Very low | 46.2 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | | -171.5 | 113.4 | 116.9 | 43.6 | 0 | 0 | 0 | 0 | 110 | | |
| 222 | N | 49.3 | Very low | 46.2 | Very low | 162 Ų | 162 | 124 Ų | 124 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | | | trans | -79 | 122.1 | 154.8 | 178.8 | 5.1 | 0 | 0 | 0 | 107 | | |
| 223 | L | 40.4 | Very low | 46.3 | Very low | 152 Ų | 152 | 123 Ų | 123 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | -177.1 | 122.1 | 156.6 | -103.2 | 168.5 | 0 | 0 | 0 | 111.5 | | |
| 224 | H | 49.2 | Very low | 46.8 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | | | trans | 59.4 | 118.3 | 147.5 | -136.4 | -72.1 | 0 | 0 | 0 | 120.2 | | |
| 225 | S | 45.5 | Very low | 47.1 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | trans | -142.1 | 113.6 | 153.8 | -71.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 226 | P | 53.5 | Low | 47.9 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 154.7 | 179.3 | 34.1 | -31.1 | 0 | 0 | 0 | 111.5 | | |
| 227 | N | 47.6 | Very low | 48.4 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 132.1 | 177 | -173.6 | 56.5 | 0 | 0 | 0 | 111.9 | | |
| 228 | P | 58.8 | Low | 48.8 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 122.8 | 162.5 | 32.2 | -27.3 | 0 | 0 | 0 | 111.4 | | |
| 229 | S | 51.2 | Low | 48.9 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | -33 | 133.2 | 156.3 | -75.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 230 | D | 48.7 | Very low | 49.3 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | 65.8 | 86.5 | 77.8 | -173.2 | 43.9 | 0 | 0 | 0 | 111.7 | | |
| 231 | D | 49.4 | Very low | 49.8 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -144.8 | 132.6 | 151.5 | -164.3 | -126.3 | 0 | 0 | 0 | 106.7 | | |
| 232 | G | 50.9 | Low | 50.1 | Low | 65 Ų | 65 | 135.2 Ų | 135.2 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | | | trans | -99.5 | 170.4 | -157.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 233 | A | 44.3 | Very low | 50.4 | Low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | | | trans | -156.7 | 117.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 234 | D | 50.7 | Low | 50.9 | Low | 157 Ų | 157 | 138.1 Ų | 138.1 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | trans | 33.6 | 109.9 | 149.8 | -60.6 | -61.7 | 0 | 0 | 0 | 120.8 | | |
| 235 | T | 49.4 | Very low | 51.2 | Low | 140 Ų | 140 | 139 Ų | 139 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | | | | -153.3 | 141.7 | 129.4 | 4.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 236 | P | 53.5 | Low | 51.3 | Low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | trans | -83.1 | 153.8 | -153 | 31.2 | -36.5 | 0 | 0 | 0 | 115.6 | A238 | P236-A238 PolarHBondContact O-N 3.34Š|
| 237 | L | 53.5 | Low | 50.9 | Low | 170 Ų | 170 | 142.5 Ų | 142.5 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | trans | -58.7 | 120.7 | 170.9 | -66.8 | 166.6 | 0 | 0 | 0 | 111.4 | | |
| 238 | A | 50.3 | Low | 50.8 | Low | 93 Ų | 93 | 142.8 Ų | 142.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -90.2 | 110.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108 | P236 S240 | P236-A238 PolarHBondContact O-N 3.34Å; A238-S240 PolarHBondContact O-N 2.83Å |
| 239 | Q | 45.9 | Very low | 50.1 | Low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 119 | 171.8 | -66.1 | 166.6 | -112.9 | 0 | 0 | 108.2 | | |
| 240 | S | 52.5 | Low | 49.7 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 140.5 | 168.8 | -69.7 | 0 | 0 | 0 | 0 | 110.3 | A238 | A238-S240 PolarHBondContact O-N 2.83Š|
| 241 | D | 59.3 | Low | 49.5 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 159.2 | -157.6 | -147.9 | -9.5 | 0 | 0 | 0 | 114.4 | | |
| 242 | E | 49.2 | Very low | 49.5 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | | | trans | -100.6 | 84 | -179.6 | 52.6 | -168.7 | 101.4 | 0 | 0 | 111.1 | E244 | E242-E244 PolarHBondContact O-N 3.02Š|
| 243 | E | 55 | Low | 50 | Low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -93.2 | 95.9 | 173.7 | -68.2 | -160.4 | 126.9 | 0 | 0 | 112 | | |
| 244 | E | 50.8 | Low | 50 | Low | 190 Ų | 190 | 139.5 Ų | 139.5 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | | | trans | -72.2 | 112.5 | 159.9 | 45.9 | 170.6 | -174.2 | 0 | 0 | 110.7 | E242 | E242-E244 PolarHBondContact O-N 3.02Š|
| 245 | E | 55.2 | Low | 49.8 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -138.5 | 132.1 | 160.8 | -177.9 | 60.3 | 150.4 | 0 | 0 | 113.3 | | |
| 246 | R | 47.5 | Very low | 49.6 | Very low | 216 Ų | 216 | 135.3 Ų | 135.3 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | | | trans | -50.6 | 123.1 | -167.7 | -74.1 | 156.5 | 150.8 | -99.2 | -5.4 | 116 | D248 | R246-D248 PolarHBondContact O-N 3.02Š|
| 247 | G | 44.3 | Very low | 49.2 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | | | trans | -76.1 | 106.9 | 150 | 0 | 0 | 0 | 0 | 0 | 110.6 | G249 | G247-G249 PolarHBondContact O-N 3.33Š|
| 248 | D | 45.3 | Very low | 49 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 84% | 0.837 | S | S | * | * | | | trans | -60.2 | 119.4 | 175.6 | 178.7 | 37 | 0 | 0 | 0 | 111.9 | R246 | R246-D248 PolarHBondContact O-N 3.02Š|
| 249 | G | 45.4 | Very low | 48.9 | Very low | 74 Ų | 74 | 139.6 Ų | 139.6 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | | | trans | -130.6 | 90.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | G247 | G247-G249 PolarHBondContact O-N 3.33Š|
| 250 | G | 43.6 | Very low | 49.1 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | | | trans | -75.9 | 155.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 251 | A | 42.6 | Very low | 48.9 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 80% | 0.802 | 84% | 0.837 | S | S | * | * | | | trans | -166.7 | 124.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 252 | E | 50.8 | Low | 48.2 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | | | trans | 67 | 145.4 | 151.9 | -72.5 | -82.9 | 80.3 | 0 | 0 | 121.8 | | |
| 253 | P | 59.8 | Low | 48.2 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | | | trans | -96.6 | 149.9 | -177.5 | 38.3 | -33.9 | 0 | 0 | 0 | 113.9 | | |
| 254 | G | 44.5 | Very low | 47.7 | Very low | 80 Ų | 80 | 130.9 Ų | 130.9 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | | | trans | -137.2 | 101.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 255 | A | 47.3 | Very low | 47.4 | Very low | 90 Ų | 90 | 126.3 Ų | 126.3 | 74% | 0.744 | 84% | 0.836 | S | S | * | * | | | trans | -28.1 | 143.7 | 178 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 256 | C | 44.4 | Very low | 46.8 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 81% | 0.811 | 84% | 0.84 | S | S | * | * | | | trans | 43.9 | 126.4 | 132.4 | -49.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 257 | S | 45.8 | Very low | 46.7 | Very low | 194 Ų | 194 | 114.4 Ų | 114.4 | 100% | 1.357 | 84% | 0.843 | S | S | * | * | | | | -167.4 | 0 | 62.7 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | | |