| 1 | M | 49.1 | Very low | 56.7 | Low | 243 Ų | 243 | 154.7 Ų | 154.7 | 100% | 1.197 | 88% | 0.882 | S | S | * | * | | | | 0 | 139.8 | 0 | -74.8 | -166.5 | 163.4 | 0 | 0 | 108 | | |
| 2 | S | 55 | Low | 56.9 | Low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 87% | 0.869 | S | S | * | * | | | trans | 89.9 | 83 | 176.5 | -53.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 3 | D | 55.4 | Low | 56.8 | Low | 149 Ų | 149 | 151.6 Ų | 151.6 | 80% | 0.797 | 87% | 0.867 | S | S | * | * | | | | 41.6 | 95.2 | 125.5 | -61.4 | -24.9 | 0 | 0 | 0 | 120.2 | | |
| 4 | R | 60.2 | Low | 57 | Low | 258 Ų | 258 | 151.1 Ų | 151.1 | 97% | 0.974 | 87% | 0.867 | S | S | * | * | | | trans | -145.5 | 64 | 147.9 | -69 | -165.2 | -177.5 | 179.8 | 1.3 | 110.9 | | |
| 5 | S | 61.4 | Low | 57.1 | Low | 97 Ų | 97 | 152.7 Ų | 152.7 | 68% | 0.678 | 86% | 0.864 | S | S | * | * | | | trans | -128.7 | 91.7 | 172.2 | 30.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 6 | K | 57.6 | Low | 57 | Low | 215 Ų | 215 | 150.8 Ų | 150.8 | 94% | 0.935 | 86% | 0.864 | S | S | * | * | | | trans | 176.9 | 66.9 | 169.9 | -96.4 | 156.2 | -161.7 | -173.8 | 0 | 109.8 | | |
| 7 | S | 57.9 | Low | 57.3 | Low | 129 Ų | 129 | 148.2 Ų | 148.2 | 90% | 0.902 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -140.9 | 12.6 | 167 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 8 | E | 57.1 | Low | 57.1 | Low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -127.2 | 79.4 | -175.7 | -171 | 176.9 | -176.1 | 0 | 0 | 108.5 | | |
| 9 | A | 57.8 | Low | 57 | Low | 100 Ų | 100 | 148.4 Ų | 148.4 | 83% | 0.826 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -163.8 | -6.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 10 | A | 56.4 | Low | 57.1 | Low | 108 Ų | 108 | 148.1 Ų | 148.1 | 89% | 0.893 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -111.5 | 4 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 11 | A | 55.5 | Low | 57.1 | Low | 100 Ų | 100 | 144.5 Ų | 144.5 | 83% | 0.826 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -114.8 | 9.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H13 | A11-H13 PolarHBondContact O-N 3.31Š|
| 12 | A | 59.3 | Low | 57.6 | Low | 87 Ų | 87 | 144.6 Ų | 144.6 | 72% | 0.719 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -88.6 | 9.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 13 | H | 56.1 | Low | 57.8 | Low | 182 Ų | 182 | 150.7 Ų | 150.7 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | | | trans | -130.1 | 80.8 | -176.5 | -76.6 | -76.5 | 0 | 0 | 0 | 111.2 | A11 | A11-H13 PolarHBondContact O-N 3.31Š|
| 14 | V | 59.3 | Low | 57.9 | Low | 144 Ų | 144 | 148.6 Ų | 148.6 | 87% | 0.873 | 85% | 0.845 | S | S | * | * | | | trans | -126.2 | 120.7 | 156.7 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 15 | E | 59.2 | Low | 57.5 | Low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | | | trans | -64.4 | 130.1 | -161 | -68.2 | 156.1 | 147.1 | 0 | 0 | 112.8 | S17 | E15-S17 PolarHBondContact O-N 3Š|
| 16 | S | 55.1 | Low | 57.3 | Low | 122 Ų | 122 | 148.1 Ų | 148.1 | 85% | 0.853 | 85% | 0.849 | S | S | * | * | | | trans | -74.3 | 105.3 | 165.5 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 17 | S | 61.7 | Low | 57.2 | Low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 84% | 0.838 | S | S | * | * | | | trans | -91.9 | 122.1 | 169.3 | -51.1 | 0 | 0 | 0 | 0 | 110.3 | E15 | E15-S17 PolarHBondContact O-N 3Š|
| 18 | E | 53.2 | Low | 57 | Low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | | | trans | -45.6 | 147.2 | 173.8 | -65 | 160 | 135.6 | 0 | 0 | 112.6 | | |
| 19 | S | 56.6 | Low | 56.7 | Low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | | | | -155.2 | 113.7 | 75.7 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | G21 | S19-G21 PolarHBondContact O-N 3.19Š|
| 20 | V | 58.6 | Low | 56.4 | Low | 141 Ų | 141 | 148.8 Ų | 148.8 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | | | trans | -75.7 | 112.8 | 164.8 | 177 | 0 | 0 | 0 | 0 | 108.2 | R22 | V20-R22 PolarHBondContact O-N 3.37Š|
| 21 | G | 57.1 | Low | 56.1 | Low | 73 Ų | 73 | 155 Ų | 155 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | | | trans | -53.7 | 108.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | S19 R23 | S19-G21 PolarHBondContact O-N 3.19Å; G21-R23 PolarHBondContact O-N 3.46Å; G21-R23 VanDerWaalsContact O-N 3.11Å |
| 22 | R | 60 | Low | 55.9 | Low | 245 Ų | 245 | 155.7 Ų | 155.7 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | | | trans | -69.9 | 106.6 | 173 | -77.7 | -174.2 | 178.4 | -103.8 | 1.9 | 109.5 | V20 A24 | V20-R22 PolarHBondContact O-N 3.37Å; R22-A24 PolarHBondContact O-N 3.45Å; R22-A24 VanDerWaalsContact O-N 3.16Å |
| 23 | R | 58.7 | Low | 55.3 | Low | 242 Ų | 242 | 157.6 Ų | 157.6 | 91% | 0.913 | 84% | 0.842 | S | S | * | * | | | trans | -40.9 | 109.3 | 166.9 | -161.5 | 178.4 | -64 | -166.3 | 0.3 | 111.1 | G21 A25 | G21-R23 PolarHBondContact O-N 3.46Å; G21-R23 VanDerWaalsContact O-N 3.11Å; R23-A25 PolarHBondContact O-N 3.19Å |
| 24 | A | 57.7 | Low | 55.2 | Low | 104 Ų | 104 | 154.1 Ų | 154.1 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | | | trans | -80.3 | 107.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | R22 | R22-A24 PolarHBondContact O-N 3.45Å; R22-A24 VanDerWaalsContact O-N 3.16Å |
| 25 | A | 52.2 | Low | 54.8 | Low | 92 Ų | 92 | 158.8 Ų | 158.8 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | | | trans | -116.6 | 90.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | R23 | R23-A25 PolarHBondContact O-N 3.19Š|
| 26 | R | 57.1 | Low | 54.9 | Low | 254 Ų | 254 | 154.5 Ų | 154.5 | 96% | 0.958 | 84% | 0.835 | S | S | * | * | | | trans | -161.3 | 119.3 | 163.3 | -91.2 | 174 | -162.1 | -124.7 | 2.7 | 104.8 | | |
| 27 | G | 54.1 | Low | 54.7 | Low | 70 Ų | 70 | 154 Ų | 154 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | | | cis | 106.3 | 86.7 | 34.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 28 | R | 54.6 | Low | 53.8 | Low | 228 Ų | 228 | 154.7 Ų | 154.7 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | | | trans | 74.9 | 110.4 | 154.4 | -55.7 | -175.6 | -177.9 | -134.9 | -0.9 | 120.3 | | |
| 29 | R | 49.6 | Very low | 53.7 | Low | 228 Ų | 228 | 149.6 Ų | 149.6 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | | 50 | 115.3 | 127.4 | -62.8 | 179.8 | -177.5 | 174.1 | -0.4 | 119.2 | | |
| 30 | C | 52.2 | Low | 53.4 | Low | 122 Ų | 122 | 151 Ų | 151 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | | | trans | -173.8 | 104.4 | 130.4 | -95.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 31 | R | 50.3 | Low | 53 | Low | 238 Ų | 238 | 151 Ų | 151 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | | | | 55.2 | 111.7 | 107.4 | -68.5 | -166.3 | 176.2 | -164.3 | -0.5 | 114.8 | | |
| 32 | S | 51.9 | Low | 53.1 | Low | 115 Ų | 115 | 155.8 Ų | 155.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | 133.4 | 84.7 | 145.5 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | S34 | S32-S34 VanDerWaalsContact C-N 3.28Å; S32-S34 PolarHBondContact O-N 3.42Å |
| 33 | S | 46.5 | Very low | 53.1 | Low | 126 Ų | 126 | 149 Ų | 149 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | | | trans | -71.9 | 85.6 | 165.2 | 54.8 | 0 | 0 | 0 | 0 | 109.3 | R35 | S33-R35 PolarHBondContact O-N 2.97Š|
| 34 | S | 54.1 | Low | 53.1 | Low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | trans | -71.2 | 105.3 | 165.4 | 161.5 | 0 | 0 | 0 | 0 | 108.7 | S32 A36 | S32-S34 VanDerWaalsContact C-N 3.28Å; S32-S34 PolarHBondContact O-N 3.42Å; S34-A36 PolarHBondContact O-N 3.48Å |
| 35 | R | 51.2 | Low | 53.1 | Low | 243 Ų | 243 | 142 Ų | 142 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | -69.9 | 99.1 | 172 | -177.7 | 179.9 | -177.5 | -165.1 | 0.7 | 108.8 | S33 | S33-R35 PolarHBondContact O-N 2.97Š|
| 36 | A | 61.1 | Low | 53.4 | Low | 86 Ų | 86 | 143.3 Ų | 143.3 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -84.5 | 130.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S34 | S34-A36 PolarHBondContact O-N 3.48Š|
| 37 | P | 49.4 | Very low | 53.4 | Low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -83.6 | 143.3 | 173 | 33.4 | -29 | 0 | 0 | 0 | 110.5 | | |
| 38 | S | 44.4 | Very low | 53.8 | Low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | 49.9 | 98.9 | 158.2 | 63 | 0 | 0 | 0 | 0 | 117.8 | | |
| 39 | G | 50 | Low | 54.1 | Low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | trans | -132.8 | 115.8 | 160 | 0 | 0 | 0 | 0 | 0 | 108.4 | T41 | G39-T41 PolarHBondContact O-N 3.33Š|
| 40 | Q | 50 | Low | 55.5 | Low | 146 Ų | 146 | 126.7 Ų | 126.7 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | | | trans | -37 | 125.1 | -176.4 | -69.2 | 165.6 | 14.1 | 0 | 0 | 114.8 | Y42 | Q40-Y42 HydrophobicContact CB-CD2 4.24Å; Q40-Y42 HydrophobicContact CB-CE2 4.07Å; Q40-Y42 PolarHBondContact O-N 2.81Å; Q40-Y42 VanDerWaalsContact O-N 3.1Å; Q40-Y42 VanDerWaalsContact OE1-CZ 3.28Å; Q40-Y42 PolarHBondContact OE1-OH 2.99Å |
| 41 | T | 52.1 | Low | 57 | Low | 139 Ų | 139 | 129.4 Ų | 129.4 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | | | trans | -67.7 | 98.9 | 155.5 | -53.7 | 0 | 0 | 0 | 0 | 107.3 | G39 | G39-T41 PolarHBondContact O-N 3.33Š|
| 42 | Y | 58.1 | Low | 58.7 | Low | 175 Ų | 175 | 123.9 Ų | 123.9 | 69% | 0.686 | 72% | 0.715 | S | S | * | * | | | trans | -68.1 | 128.4 | 166.8 | -76.8 | -91.1 | 0 | 0 | 0 | 108.4 | Q40 S44 | Q40-Y42 HydrophobicContact CB-CD2 4.24Å; Q40-Y42 HydrophobicContact CB-CE2 4.07Å; Q40-Y42 PolarHBondContact O-N 2.81Å; Q40-Y42 VanDerWaalsContact O-N 3.1Å; Q40-Y42 VanDerWaalsContact OE1-CZ 3.28Å; Q40-Y42 PolarHBondContact OE1-OH 2.99Å; Y42-S44 PolarHBondContact O-N 2.89Å |
| 43 | P | 59.9 | Low | 60.4 | Low | 101 Ų | 101 | 122.7 Ų | 122.7 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | | | trans | -62.5 | 123.6 | 161.4 | 27.6 | -29.6 | 0 | 0 | 0 | 106.7 | S45 | P43-S45 PolarHBondContact O-N 3.38Š|
| 44 | S | 60 | Low | 62.4 | Low | 125 Ų | 125 | 120.7 Ų | 120.7 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | | | trans | -69.9 | 78.6 | 170.3 | -65.1 | 0 | 0 | 0 | 0 | 108.6 | Y42 | Y42-S44 PolarHBondContact O-N 2.89Š|
| 45 | S | 56.9 | Low | 64.3 | Low | 75 Ų | 75 | 119.9 Ų | 119.9 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | | | trans | -89.6 | 143.9 | 170.4 | -51.2 | 0 | 0 | 0 | 0 | 108.2 | P43 | P43-S45 PolarHBondContact O-N 3.38Š|
| 46 | D | 58.3 | Low | 66.3 | Low | 120 Ų | 120 | 112.8 Ų | 112.8 | 64% | 0.642 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 95.6 | 16.7 | 163 | -52.3 | -25 | 0 | 0 | 0 | 120.6 | | |
| 47 | I | 57.6 | Low | 67.9 | Low | 146 Ų | 146 | 112.2 Ų | 112.2 | 75% | 0.749 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -99.2 | -10.3 | 168.7 | -53.7 | 173.9 | 0 | 0 | 0 | 112.6 | P50 | I47-P50 WeakPolarHBondContact O-CD 3.3Š|
| 48 | S | 61.3 | Low | 70.1 | Confident | 80 Ų | 80 | 110.3 Ų | 110.3 | 56% | 0.559 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -79.8 | -24.5 | -177.6 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | R51 E52 | S48-R51 PolarHBondContact O-N 3.42Å; S48-E52 PolarHBondContact O-N 3.17Å; S48-E52 VanDerWaalsContact O-N 3.09Å |
| 49 | Q | 62.5 | Low | 72.6 | Confident | 123 Ų | 123 | 107.5 Ų | 107.5 | 58% | 0.575 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59.1 | -47.9 | -175.2 | -64.2 | -169.8 | 12 | 0 | 0 | 114.6 | R51 E52 V53 | Q49-R51 VanDerWaalsContact C-N 3.27Å; Q49-R51 PolarHBondContact O-N 2.89Å; Q49-E52 PolarHBondContact O-N 3.49Å; Q49-V53 VanDerWaalsContact O-CG2 3.31Å; Q49-V53 WeakPolarHBondContact O-CG2 3.17Å; Q49-V53 PolarHBondContact O-N 2.89Å; Q49-V53 VanDerWaalsContact O-N 3.09Å |
| 50 | P | 78.1 | Confident | 74.8 | Confident | 81 Ų | 81 | 108.1 Ų | 108.1 | 53% | 0.526 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.7 | -31.1 | -179.3 | 25.3 | -34.7 | 0 | 0 | 0 | 112.3 | I47 T54 | I47-P50 WeakPolarHBondContact O-CD 3.3Å; P50-T54 VanDerWaalsContact O-CB 3.31Å; P50-T54 WeakPolarHBondContact O-CB 3.25Å; P50-T54 PolarHBondContact O-N 3.23Å; P50-T54 PolarHBondContact O-OG1 3.29Å |
| 51 | R | 84.5 | Confident | 77 | Confident | 180 Ų | 180 | 105.3 Ų | 105.3 | 68% | 0.679 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70 | -43.8 | 178.8 | -174.1 | 178.3 | -179.5 | -80.6 | -1.9 | 111.3 | S48 Q49 T54 M55 | S48-R51 PolarHBondContact O-N 3.42Å; Q49-R51 VanDerWaalsContact C-N 3.27Å; Q49-R51 PolarHBondContact O-N 2.89Å; R51-T54 PolarHBondContact O-N 2.88Å; R51-M55 VanDerWaalsContact O-CG 3.29Å; R51-M55 WeakPolarHBondContact O-CG 3.27Å; R51-M55 PolarHBondContact O-N 3.43Å |
| 52 | E | 85.7 | Confident | 79.2 | Confident | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64 | -48.5 | 178.1 | -169.4 | 167.2 | -164.5 | 0 | 0 | 111.1 | S48 Q49 T54 M55 D56 | S48-E52 PolarHBondContact O-N 3.17Å; S48-E52 VanDerWaalsContact O-N 3.09Å; Q49-E52 PolarHBondContact O-N 3.49Å; E52-T54 VanDerWaalsContact C-N 3.28Å; E52-T54 PolarHBondContact O-N 3.19Å; E52-M55 WeakPolarHBondContact O-CB 3.46Å; E52-M55 PolarHBondContact O-N 2.88Å; E52-D56 PolarHBondContact O-N 2.68Å |
| 53 | V | 86.7 | Confident | 81.1 | Confident | 90 Ų | 90 | 97.4 Ų | 97.4 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.4 | -40.3 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 112 | Q49 T57 | Q49-V53 VanDerWaalsContact O-CG2 3.31Å; Q49-V53 WeakPolarHBondContact O-CG2 3.17Å; Q49-V53 PolarHBondContact O-N 2.89Å; Q49-V53 VanDerWaalsContact O-N 3.09Å; V53-T57 WeakPolarHBondContact O-CB 3.41Å; V53-T57 PolarHBondContact O-N 3.22Å; V53-T57 PolarHBondContact O-OG1 3.27Å |
| 54 | T | 89.6 | Confident | 82.8 | Confident | 84 Ų | 84 | 97.7 Ų | 97.7 | 52% | 0.515 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 176.2 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | P50 R51 E52 T57 V58 | P50-T54 VanDerWaalsContact O-CB 3.31Å; P50-T54 WeakPolarHBondContact O-CB 3.25Å; P50-T54 PolarHBondContact O-N 3.23Å; P50-T54 PolarHBondContact O-OG1 3.29Å; R51-T54 PolarHBondContact O-N 2.88Å; E52-T54 VanDerWaalsContact C-N 3.28Å; E52-T54 PolarHBondContact O-N 3.19Å; T54-T57 PolarHBondContact O-N 3.37Å; T54-V58 HydrophobicContact CG2-CG2 4.46Å; T54-V58 VanDerWaalsContact O-CG2 3.28Å; T54-V58 WeakPolarHBondContact O-CG2 3.49Å; T54-V58 PolarHBondContact O-N 3.45Å |
| 55 | M | 93.7 | Very high | 84.6 | Confident | 92 Ų | 92 | 96.2 Ų | 96.2 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 178.1 | -74.6 | -61.3 | -54.2 | 0 | 0 | 111.5 | R51 E52 T57 V58 S59 | R51-M55 VanDerWaalsContact O-CG 3.29Å; R51-M55 WeakPolarHBondContact O-CG 3.27Å; R51-M55 PolarHBondContact O-N 3.43Å; E52-M55 WeakPolarHBondContact O-CB 3.46Å; E52-M55 PolarHBondContact O-N 2.88Å; M55-T57 PolarHBondContact O-N 2.99Å; M55-V58 PolarHBondContact O-N 2.93Å; M55-S59 WeakPolarHBondContact O-CB 3.35Å; M55-S59 PolarHBondContact O-N 3.32Å; M55-S59 PolarHBondContact O-OG 3.27Å |
| 56 | D | 93.5 | Very high | 86.5 | Confident | 94 Ų | 94 | 99.4 Ų | 99.4 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 176.8 | -70.6 | -19.9 | 0 | 0 | 0 | 111.1 | E52 V58 S59 T60 | E52-D56 PolarHBondContact O-N 2.68Å; D56-V58 PolarHBondContact O-N 2.92Å; D56-S59 WeakPolarHBondContact O-CB 3.44Å; D56-S59 PolarHBondContact O-N 2.91Å; D56-T60 PolarHBondContact O-N 3.41Å; D56-T60 PolarHBondContact O-OG1 3.42Å; D56-T60 VanDerWaalsContact O-OG1 3.06Å |
| 57 | T | 94.1 | Very high | 88.4 | Confident | 73 Ų | 73 | 98.6 Ų | 98.6 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 177.1 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | V53 T54 M55 S59 T60 I61 | V53-T57 WeakPolarHBondContact O-CB 3.41Å; V53-T57 PolarHBondContact O-N 3.22Å; V53-T57 PolarHBondContact O-OG1 3.27Å; T54-T57 PolarHBondContact O-N 3.37Å; M55-T57 PolarHBondContact O-N 2.99Å; T57-S59 VanDerWaalsContact C-N 3.33Å; T57-S59 PolarHBondContact O-N 3.45Å; T57-T60 PolarHBondContact O-N 2.9Å; T57-I61 HydrophobicContact CG2-CD1 4.02Å; T57-I61 WeakPolarHBondContact O-CG1 3.08Å; T57-I61 PolarHBondContact O-N 2.94Å |
| 58 | V | 95.6 | Very high | 90.2 | Very high | 72 Ų | 72 | 97 Ų | 97 | 44% | 0.436 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | T54 M55 D56 T60 I61 V62 | T54-V58 HydrophobicContact CG2-CG2 4.46Å; T54-V58 VanDerWaalsContact O-CG2 3.28Å; T54-V58 WeakPolarHBondContact O-CG2 3.49Å; T54-V58 PolarHBondContact O-N 3.45Å; M55-V58 PolarHBondContact O-N 2.93Å; D56-V58 PolarHBondContact O-N 2.92Å; V58-T60 PolarHBondContact O-N 3.34Å; V58-I61 PolarHBondContact O-N 3.17Å; V58-V62 HydrophobicContact CG1-CG2 4.31Å; V58-V62 WeakPolarHBondContact O-CB 3.48Å; V58-V62 VanDerWaalsContact O-CG2 3.27Å; V58-V62 WeakPolarHBondContact O-CG2 3.25Å; V58-V62 PolarHBondContact O-N 2.96Å |
| 59 | S | 96.3 | Very high | 91.9 | Very high | 62 Ų | 62 | 97.4 Ų | 97.4 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 177.1 | -73.6 | 0 | 0 | 0 | 0 | 112.7 | M55 D56 T57 S63 | M55-S59 WeakPolarHBondContact O-CB 3.35Å; M55-S59 PolarHBondContact O-N 3.32Å; M55-S59 PolarHBondContact O-OG 3.27Å; D56-S59 WeakPolarHBondContact O-CB 3.44Å; D56-S59 PolarHBondContact O-N 2.91Å; T57-S59 VanDerWaalsContact C-N 3.33Å; T57-S59 PolarHBondContact O-N 3.45Å; S59-S63 WeakPolarHBondContact O-CB 3.36Å; S59-S63 PolarHBondContact O-N 3.19Å; S59-S63 PolarHBondContact O-OG 2.97Å |
| 60 | T | 96.5 | Very high | 93.5 | Very high | 91 Ų | 91 | 94.3 Ų | 94.3 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.3 | -50.2 | 173.8 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | D56 T57 V58 V62 S63 E64 | D56-T60 PolarHBondContact O-N 3.41Å; D56-T60 PolarHBondContact O-OG1 3.42Å; D56-T60 VanDerWaalsContact O-OG1 3.06Å; T57-T60 PolarHBondContact O-N 2.9Å; V58-T60 PolarHBondContact O-N 3.34Å; T60-V62 PolarHBondContact O-N 2.99Å; T60-S63 PolarHBondContact O-N 3.41Å; T60-S63 VanDerWaalsContact O-N 3.17Å; T60-E64 PolarHBondContact O-N 3.31Å |
| 61 | I | 97 | Very high | 94.3 | Very high | 87 Ų | 87 | 92.6 Ų | 92.6 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 179.7 | -67.5 | 166.1 | 0 | 0 | 0 | 110.9 | T57 V58 S63 E64 I65 | T57-I61 HydrophobicContact CG2-CD1 4.02Å; T57-I61 WeakPolarHBondContact O-CG1 3.08Å; T57-I61 PolarHBondContact O-N 2.94Å; V58-I61 PolarHBondContact O-N 3.17Å; I61-S63 VanDerWaalsContact C-N 3.3Å; I61-S63 PolarHBondContact O-N 2.94Å; I61-E64 PolarHBondContact O-N 3.15Å; I61-I65 HydrophobicContact CG2-CD1 3.87Å; I61-I65 WeakPolarHBondContact O-CG1 3.49Å; I61-I65 PolarHBondContact O-N 2.97Å |
| 62 | V | 97.4 | Very high | 94.8 | Very high | 87 Ų | 87 | 88.6 Ų | 88.6 | 53% | 0.527 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 178.5 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | V58 T60 K66 | V58-V62 HydrophobicContact CG1-CG2 4.31Å; V58-V62 WeakPolarHBondContact O-CB 3.48Å; V58-V62 VanDerWaalsContact O-CG2 3.27Å; V58-V62 WeakPolarHBondContact O-CG2 3.25Å; V58-V62 PolarHBondContact O-N 2.96Å; T60-V62 PolarHBondContact O-N 2.99Å; V62-K66 WeakPolarHBondContact O-CB 3.35Å; V62-K66 PolarHBondContact O-N 3.06Å |
| 63 | S | 97.4 | Very high | 95.2 | Very high | 60 Ų | 60 | 89.3 Ų | 89.3 | 42% | 0.42 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 178.4 | -61.4 | 0 | 0 | 0 | 0 | 112 | S59 T60 I61 K66 N67 | S59-S63 WeakPolarHBondContact O-CB 3.36Å; S59-S63 PolarHBondContact O-N 3.19Å; S59-S63 PolarHBondContact O-OG 2.97Å; T60-S63 PolarHBondContact O-N 3.41Å; T60-S63 VanDerWaalsContact O-N 3.17Å; I61-S63 VanDerWaalsContact C-N 3.3Å; I61-S63 PolarHBondContact O-N 2.94Å; S63-K66 PolarHBondContact O-N 2.76Å; S63-N67 WeakPolarHBondContact O-CB 3.33Å; S63-N67 PolarHBondContact O-N 3.31Å; S63-N67 PolarHBondContact O-ND2 3.37Å; S63-N67 PolarHBondContact O-OD1 3.36Å |
| 64 | E | 97.1 | Very high | 95.4 | Very high | 108 Ų | 108 | 89.1 Ų | 89.1 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 176.2 | -174.2 | 173.6 | -170.9 | 0 | 0 | 111.6 | T60 I61 K66 N67 H68 | T60-E64 PolarHBondContact O-N 3.31Å; I61-E64 PolarHBondContact O-N 3.15Å; E64-K66 VanDerWaalsContact C-N 3.31Å; E64-K66 PolarHBondContact O-N 2.93Å; E64-N67 PolarHBondContact O-N 3.44Å; E64-N67 VanDerWaalsContact O-N 3.15Å; E64-H68 PolarHBondContact O-CD2 3.37Å; E64-H68 VanDerWaalsContact O-CD2 3.22Å; E64-H68 PolarHBondContact O-N 3.02Å; E64-H68 IonicContact OE1-NE2 3.86Å |
| 65 | I | 96.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 91 Ų | 91 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.6 | -67.2 | 167.5 | 0 | 0 | 0 | 110.5 | I61 N67 H68 L69 | I61-I65 HydrophobicContact CG2-CD1 3.87Å; I61-I65 WeakPolarHBondContact O-CG1 3.49Å; I61-I65 PolarHBondContact O-N 2.97Å; I65-N67 VanDerWaalsContact C-N 3.31Å; I65-N67 PolarHBondContact O-N 3.48Å; I65-H68 PolarHBondContact O-N 3.43Å; I65-L69 HydrophobicContact CG2-CD1 3.95Å; I65-L69 HydrophobicContact CG2-CG 4.35Å; I65-L69 WeakPolarHBondContact O-CB 3.49Å; I65-L69 WeakPolarHBondContact O-CG 3.24Å; I65-L69 PolarHBondContact O-N 3.49Å |
| 66 | K | 97.4 | Very high | 95.2 | Very high | 142 Ų | 142 | 92 Ų | 92 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 178 | -165.6 | -173.1 | 81.3 | -178.6 | 0 | 111.6 | V62 S63 E64 S70 | V62-K66 WeakPolarHBondContact O-CB 3.35Å; V62-K66 PolarHBondContact O-N 3.06Å; S63-K66 PolarHBondContact O-N 2.76Å; E64-K66 VanDerWaalsContact C-N 3.31Å; E64-K66 PolarHBondContact O-N 2.93Å; K66-S70 WeakPolarHBondContact O-CB 3.42Å; K66-S70 PolarHBondContact O-N 3.35Å |
| 67 | N | 97.1 | Very high | 94.9 | Very high | 102 Ų | 102 | 96.4 Ų | 96.4 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 179 | -71 | -13.7 | 0 | 0 | 0 | 111.5 | S63 E64 I65 S70 A71 | S63-N67 WeakPolarHBondContact O-CB 3.33Å; S63-N67 PolarHBondContact O-N 3.31Å; S63-N67 PolarHBondContact O-ND2 3.37Å; S63-N67 PolarHBondContact O-OD1 3.36Å; E64-N67 PolarHBondContact O-N 3.44Å; E64-N67 VanDerWaalsContact O-N 3.15Å; I65-N67 VanDerWaalsContact C-N 3.31Å; I65-N67 PolarHBondContact O-N 3.48Å; N67-S70 PolarHBondContact O-N 3.48Å; N67-A71 WeakPolarHBondContact O-CB 3.32Å; N67-A71 PolarHBondContact O-N 2.84Å |
| 68 | H | 96.5 | Very high | 94.4 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 175.8 | -76.1 | -55.4 | 0 | 0 | 0 | 112.4 | E64 I65 S70 A71 L72 | E64-H68 PolarHBondContact O-CD2 3.37Å; E64-H68 VanDerWaalsContact O-CD2 3.22Å; E64-H68 PolarHBondContact O-N 3.02Å; E64-H68 IonicContact OE1-NE2 3.86Å; I65-H68 PolarHBondContact O-N 3.43Å; H68-S70 VanDerWaalsContact C-N 3.33Å; H68-S70 PolarHBondContact O-N 3.31Å; H68-A71 PolarHBondContact O-N 3.48Å; H68-L72 WeakPolarHBondContact O-CG 3.33Å; H68-L72 PolarHBondContact O-N 2.83Å |
| 69 | L | 97 | Very high | 93.8 | Very high | 87 Ų | 87 | 100 Ų | 100 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.6 | -69.7 | 176.5 | 0 | 0 | 0 | 111.3 | I65 A71 L72 F73 | I65-L69 HydrophobicContact CG2-CD1 3.95Å; I65-L69 HydrophobicContact CG2-CG 4.35Å; I65-L69 WeakPolarHBondContact O-CB 3.49Å; I65-L69 WeakPolarHBondContact O-CG 3.24Å; I65-L69 PolarHBondContact O-N 3.49Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 2.99Å; L69-L72 PolarHBondContact O-N 3.17Å; L69-F73 HydrophobicContact CB-CD2 4.44Å; L69-F73 HydrophobicContact CB-CE2 4.43Å; L69-F73 WeakPolarHBondContact O-CB 3.35Å; L69-F73 WeakPolarHBondContact O-CD2 3.5Å; L69-F73 PolarHBondContact O-N 2.93Å |
| 70 | S | 95 | Very high | 92.7 | Very high | 59 Ų | 59 | 101.4 Ų | 101.4 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.9 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | K66 N67 H68 N74 | K66-S70 WeakPolarHBondContact O-CB 3.42Å; K66-S70 PolarHBondContact O-N 3.35Å; N67-S70 PolarHBondContact O-N 3.48Å; H68-S70 VanDerWaalsContact C-N 3.33Å; H68-S70 PolarHBondContact O-N 3.31Å; S70-N74 WeakPolarHBondContact O-CB 3.47Å; S70-N74 PolarHBondContact O-N 3.01Å; S70-N74 PolarHBondContact O-ND2 3.41Å |
| 71 | A | 94.9 | Very high | 91.2 | Very high | 45 Ų | 45 | 100.2 Ų | 100.2 | 37% | 0.372 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -49.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N67 H68 L69 F73 N74 E75 | N67-A71 WeakPolarHBondContact O-CB 3.32Å; N67-A71 PolarHBondContact O-N 2.84Å; H68-A71 PolarHBondContact O-N 3.48Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 2.99Å; A71-F73 PolarHBondContact O-N 2.76Å; A71-N74 PolarHBondContact O-N 3Å; A71-E75 WeakPolarHBondContact O-CG 3.49Å; A71-E75 PolarHBondContact O-N 3.28Å |
| 72 | L | 95 | Very high | 89.5 | Confident | 95 Ų | 95 | 100.6 Ų | 100.6 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.3 | -69.8 | 171.8 | 0 | 0 | 0 | 112.2 | H68 L69 N74 E75 L76 | H68-L72 WeakPolarHBondContact O-CG 3.33Å; H68-L72 PolarHBondContact O-N 2.83Å; L69-L72 PolarHBondContact O-N 3.17Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 2.68Å; L72-E75 PolarHBondContact O-N 2.95Å; L72-L76 WeakPolarHBondContact O-CB 3.4Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.31Å; L72-L76 PolarHBondContact O-N 3.06Å |
| 73 | F | 93.7 | Very high | 87.7 | Confident | 138 Ų | 138 | 100.6 Ų | 100.6 | 61% | 0.605 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.1 | -36.4 | 177.1 | -80.2 | -60.8 | 0 | 0 | 0 | 112.6 | L69 A71 R77 | L69-F73 HydrophobicContact CB-CD2 4.44Å; L69-F73 HydrophobicContact CB-CE2 4.43Å; L69-F73 WeakPolarHBondContact O-CB 3.35Å; L69-F73 WeakPolarHBondContact O-CD2 3.5Å; L69-F73 PolarHBondContact O-N 2.93Å; A71-F73 PolarHBondContact O-N 2.76Å; F73-R77 VanDerWaalsContact O-CB 3.24Å; F73-R77 WeakPolarHBondContact O-CB 3.27Å; F73-R77 PolarHBondContact O-N 3.38Å |
| 74 | N | 91.6 | Very high | 86 | Confident | 85 Ų | 85 | 103 Ų | 103 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -43.4 | 175.2 | -74.4 | -23.7 | 0 | 0 | 0 | 111.2 | S70 A71 L72 R77 L78 | S70-N74 WeakPolarHBondContact O-CB 3.47Å; S70-N74 PolarHBondContact O-N 3.01Å; S70-N74 PolarHBondContact O-ND2 3.41Å; A71-N74 PolarHBondContact O-N 3Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 2.68Å; N74-R77 PolarHBondContact O-N 3.32Å; N74-L78 WeakPolarHBondContact O-CB 3.31Å; N74-L78 VanDerWaalsContact O-CG 3.25Å; N74-L78 WeakPolarHBondContact O-CG 3.49Å; N74-L78 PolarHBondContact O-N 3.27Å |
| 75 | E | 90.4 | Very high | 83.9 | Confident | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.3 | -45.9 | 174.6 | -73.7 | 175.8 | -166.3 | 0 | 0 | 111.7 | A71 L72 R77 L78 A79 | A71-E75 WeakPolarHBondContact O-CG 3.49Å; A71-E75 PolarHBondContact O-N 3.28Å; L72-E75 PolarHBondContact O-N 2.95Å; E75-R77 VanDerWaalsContact C-N 3.32Å; E75-R77 PolarHBondContact O-N 2.87Å; E75-L78 PolarHBondContact O-N 2.8Å; E75-A79 VanDerWaalsContact O-CB 3.3Å; E75-A79 WeakPolarHBondContact O-CB 3.46Å; E75-A79 PolarHBondContact O-N 3.18Å |
| 76 | L | 89.4 | Confident | 81.8 | Confident | 112 Ų | 112 | 107.2 Ų | 107.2 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.9 | -40 | 175.3 | -73.5 | 171.5 | 0 | 0 | 0 | 111.9 | L72 A79 S80 | L72-L76 WeakPolarHBondContact O-CB 3.4Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.31Å; L72-L76 PolarHBondContact O-N 3.06Å; L76-A79 PolarHBondContact O-N 3.23Å; L76-S80 VanDerWaalsContact O-CB 3.25Å; L76-S80 WeakPolarHBondContact O-CB 3.38Å; L76-S80 PolarHBondContact O-N 3.29Å; L76-S80 PolarHBondContact O-OG 3.09Å |
| 77 | R | 87 | Confident | 79.6 | Confident | 188 Ų | 188 | 108.6 Ų | 108.6 | 71% | 0.709 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.7 | -38.4 | 176.3 | -177.8 | 177 | 174.9 | 167.3 | -0.4 | 111.8 | F73 N74 E75 S80 S81 | F73-R77 VanDerWaalsContact O-CB 3.24Å; F73-R77 WeakPolarHBondContact O-CB 3.27Å; F73-R77 PolarHBondContact O-N 3.38Å; N74-R77 PolarHBondContact O-N 3.32Å; E75-R77 VanDerWaalsContact C-N 3.32Å; E75-R77 PolarHBondContact O-N 2.87Å; R77-S80 WeakPolarHBondContact CA-OG 3.28Å; R77-S80 PolarHBondContact O-OG 3.18Å; R77-S81 PolarHBondContact O-N 3.09Å |
| 78 | L | 84.4 | Confident | 77.5 | Confident | 134 Ų | 134 | 112.1 Ų | 112.1 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.3 | -42.1 | 176.6 | -70.7 | 171 | 0 | 0 | 0 | 111.4 | N74 E75 S81 | N74-L78 WeakPolarHBondContact O-CB 3.31Å; N74-L78 VanDerWaalsContact O-CG 3.25Å; N74-L78 WeakPolarHBondContact O-CG 3.49Å; N74-L78 PolarHBondContact O-N 3.27Å; E75-L78 PolarHBondContact O-N 2.8Å; L78-S81 PolarHBondContact O-N 3.46Å |
| 79 | A | 82.5 | Confident | 75.3 | Confident | 87 Ų | 87 | 110.4 Ų | 110.4 | 72% | 0.719 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.3 | -30.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E75 L76 | E75-A79 VanDerWaalsContact O-CB 3.3Å; E75-A79 WeakPolarHBondContact O-CB 3.46Å; E75-A79 PolarHBondContact O-N 3.18Å; L76-A79 PolarHBondContact O-N 3.23Å |
| 80 | S | 73.7 | Confident | 73 | Confident | 90 Ų | 90 | 112.2 Ų | 112.2 | 63% | 0.629 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -84.8 | -11.3 | 175.5 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | L76 R77 P82 | L76-S80 VanDerWaalsContact O-CB 3.25Å; L76-S80 WeakPolarHBondContact O-CB 3.38Å; L76-S80 PolarHBondContact O-N 3.29Å; L76-S80 PolarHBondContact O-OG 3.09Å; R77-S80 WeakPolarHBondContact CA-OG 3.28Å; R77-S80 PolarHBondContact O-OG 3.18Å; S80-P82 WeakPolarHBondContact O-CD 3.29Å |
| 81 | S | 63.2 | Low | 70.8 | Confident | 67 Ų | 67 | 118.2 Ų | 118.2 | 47% | 0.469 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -74.2 | 112.1 | 167.9 | -172.6 | 0 | 0 | 0 | 0 | 108 | R77 L78 | R77-S81 PolarHBondContact O-N 3.09Å; L78-S81 PolarHBondContact O-N 3.46Å |
| 82 | P | 61.1 | Low | 68.8 | Low | 95 Ų | 95 | 126.9 Ų | 126.9 | 62% | 0.617 | 66% | 0.662 | S | S | * | * | | | trans | -58.4 | 145.3 | 170 | 26.4 | -32.8 | 0 | 0 | 0 | 108.6 | S80 V84 | S80-P82 WeakPolarHBondContact O-CD 3.29Å; P82-V84 PolarHBondContact O-N 3.1Å |
| 83 | P | 60 | Low | 66.4 | Low | 86 Ų | 86 | 130.4 Ų | 130.4 | 56% | 0.558 | 68% | 0.681 | S | S | * | * | | | trans | -55 | 117.1 | 169.7 | 23.4 | -31.3 | 0 | 0 | 0 | 107.6 | D85 E86 | P83-D85 PolarHBondContact O-N 3.47Å; P83-E86 PolarHBondContact O-N 3.36Å |
| 84 | V | 61.4 | Low | 64 | Low | 110 Ų | 110 | 127.3 Ų | 127.3 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -9.9 | -179.9 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | P82 | P82-V84 PolarHBondContact O-N 3.1Š|
| 85 | D | 54.1 | Low | 61.7 | Low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 2.8 | -174.1 | -66.9 | -42.3 | 0 | 0 | 0 | 116.1 | P83 | P83-D85 PolarHBondContact O-N 3.47Š|
| 86 | E | 51.7 | Low | 60 | Low | 148 Ų | 148 | 135.7 Ų | 135.7 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -96.1 | -8.4 | 175.7 | -105.9 | 179.1 | 161.9 | 0 | 0 | 115 | P83 | P83-E86 PolarHBondContact O-N 3.36Š|
| 87 | Q | 53 | Low | 57.6 | Low | 171 Ų | 171 | 137.8 Ų | 137.8 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -9.7 | 177.3 | -91 | -174.9 | 16.1 | 0 | 0 | 114.9 | | |
| 88 | F | 51.7 | Low | 56 | Low | 176 Ų | 176 | 134.1 Ų | 134.1 | 77% | 0.772 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -0.6 | -179.8 | -68.3 | -75.7 | 0 | 0 | 0 | 114.8 | | |
| 89 | A | 50.2 | Low | 54.3 | Low | 79 Ų | 79 | 133.7 Ų | 133.7 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -1.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 90 | T | 50.3 | Low | 52.6 | Low | 125 Ų | 125 | 138.3 Ų | 138.3 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 14.5 | -179.4 | 49.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 91 | K | 48.2 | Very low | 51.3 | Low | 185 Ų | 185 | 139.3 Ų | 139.3 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -133.2 | 58.4 | 179.6 | -64.8 | -159.2 | -179.7 | -172.5 | 0 | 113.5 | | |
| 92 | R | 52.3 | Low | 50.6 | Low | 226 Ų | 226 | 141.4 Ų | 141.4 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -163.1 | 139.7 | 160.5 | -105.9 | 157.5 | -174.9 | 163.5 | 1 | 106.4 | | |
| 93 | D | 44.3 | Very low | 49.6 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 85.9 | 85.4 | 178 | -46.9 | -31.4 | 0 | 0 | 0 | 115.8 | | |
| 94 | G | 44.4 | Very low | 49.1 | Very low | 74 Ų | 74 | 150.4 Ų | 150.4 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | -179.4 | 22.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | R96 | G94-R96 VanDerWaalsContact C-N 3.27Å; G94-R96 PolarHBondContact O-N 3.03Å |
| 95 | N | 42.2 | Very low | 48.2 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | | | trans | -76.4 | 81.2 | 168.4 | -173.5 | 23 | 0 | 0 | 0 | 108.9 | | |
| 96 | R | 54.1 | Low | 47.9 | Very low | 234 Ų | 234 | 147.9 Ų | 147.9 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -138.5 | 101.5 | 167 | -73.7 | -165.9 | 178.9 | -161.5 | 0.9 | 110 | G94 S98 | G94-R96 VanDerWaalsContact C-N 3.27Å; G94-R96 PolarHBondContact O-N 3.03Å; R96-S98 PolarHBondContact O-N 3.11Å |
| 97 | N | 40.8 | Very low | 47.9 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | | | trans | -37.7 | 119.2 | 162.1 | -49 | -17.1 | 0 | 0 | 0 | 111 | | |
| 98 | S | 51.6 | Low | 47.5 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -162.7 | 100.7 | 158.5 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | R96 | R96-S98 PolarHBondContact O-N 3.11Š|
| 99 | V | 49.3 | Very low | 47.2 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | | | trans | 24.1 | 123.4 | 138.8 | -176.8 | 0 | 0 | 0 | 0 | 118 | | |
| 100 | E | 46.1 | Very low | 47 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -1.3 | 125.2 | 150.5 | -81.4 | 156.3 | 112.2 | 0 | 0 | 117.5 | | |
| 101 | S | 48.4 | Very low | 47 | Very low | 112 Ų | 112 | 146 Ų | 146 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | | | | -165.9 | 124.3 | 120.9 | -141.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 102 | S | 47.7 | Very low | 46.7 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | | | trans | 54.3 | 116.8 | 140.3 | -52 | 0 | 0 | 0 | 0 | 121.5 | | |
| 103 | R | 39.9 | Very low | 46.6 | Very low | 248 Ų | 248 | 136.5 Ų | 136.5 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | | | trans | -46.1 | 127.8 | 158.3 | -64.6 | 169.4 | 167 | 178.9 | -4.7 | 112.5 | | |
| 104 | S | 48.6 | Very low | 47.1 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | | 170.1 | 142.1 | 127.8 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 105 | G | 44.4 | Very low | 47.3 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | trans | 116.8 | 88.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 106 | V | 47 | Very low | 48.3 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | | | trans | 10.7 | 124.8 | 144 | -170.3 | 0 | 0 | 0 | 0 | 117.6 | N108 | V106-N108 HydrophobicContact CG1-CB 4.44Š|
| 107 | P | 50.6 | Low | 48.4 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | trans | -92.7 | 109.4 | 161.6 | 33.8 | -22.9 | 0 | 0 | 0 | 109 | | |
| 108 | N | 44.8 | Very low | 49.3 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -151.5 | 93.3 | 159.4 | -96.6 | -16.3 | 0 | 0 | 0 | 107.7 | V106 | V106-N108 HydrophobicContact CG1-CB 4.44Š|
| 109 | S | 46.8 | Very low | 50 | Low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -153.9 | 104.4 | 156.6 | -158.2 | 0 | 0 | 0 | 0 | 109.4 | A111 | S109-A111 PolarHBondContact O-N 3.16Š|
| 110 | L | 46 | Very low | 51.1 | Low | 176 Ų | 176 | 131.9 Ų | 131.9 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | -59.4 | 108.9 | 162.7 | -82.8 | 84.8 | 0 | 0 | 0 | 108.2 | | |
| 111 | A | 49.2 | Very low | 52.3 | Low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | -144.7 | 93.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | S109 | S109-A111 PolarHBondContact O-N 3.16Š|
| 112 | G | 42.7 | Very low | 52.7 | Low | 76 Ų | 76 | 133.3 Ų | 133.3 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | -153.7 | 53.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q114 | G112-Q114 PolarHBondContact O-N 3.19Š|
| 113 | T | 48.9 | Very low | 53.2 | Low | 136 Ų | 136 | 133 Ų | 133 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -56.4 | 124.8 | 155.2 | -34.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 114 | Q | 56.6 | Low | 54.3 | Low | 176 Ų | 176 | 127.1 Ų | 127.1 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | | -170.3 | 110.4 | 122.2 | -65.2 | -140.7 | 51.6 | 0 | 0 | 108 | G112 | G112-Q114 PolarHBondContact O-N 3.19Š|
| 115 | V | 48.7 | Very low | 54.6 | Low | 133 Ų | 133 | 124.7 Ų | 124.7 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | -75.7 | 121.3 | 166.3 | 178.1 | 0 | 0 | 0 | 0 | 106.4 | | |
| 116 | T | 61.4 | Low | 55.4 | Low | 110 Ų | 110 | 132.7 Ų | 132.7 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | | | trans | -140 | 98.2 | 166.1 | -59.9 | 0 | 0 | 0 | 0 | 108.6 | C118 | T116-C118 PolarHBondContact O-N 3.28Š|
| 117 | T | 58.1 | Low | 55.9 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | | | trans | -72.2 | 110.8 | 166.3 | 8.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 118 | C | 58.9 | Low | 56.1 | Low | 117 Ų | 117 | 133.4 Ų | 133.4 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -87 | 106 | 166 | -66 | 0 | 0 | 0 | 0 | 108.6 | T116 | T116-C118 PolarHBondContact O-N 3.28Š|
| 119 | L | 65.9 | Low | 56.7 | Low | 157 Ų | 157 | 130.6 Ų | 130.6 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -69.2 | 143.1 | 167.1 | -73.4 | 166.6 | 0 | 0 | 0 | 109.7 | | |
| 120 | P | 71.5 | Confident | 57.1 | Low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | trans | -70.8 | 143.7 | 177.7 | 28.3 | -33.1 | 0 | 0 | 0 | 111.2 | Q122 | P120-Q122 PolarHBondContact O-N 3.35Š|
| 121 | P | 71.8 | Confident | 57.4 | Low | 131 Ų | 131 | 133.9 Ų | 133.9 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | | | trans | -69.4 | 113 | 172.3 | 27.3 | -31.1 | 0 | 0 | 0 | 109.9 | S123 | P121-S123 PolarHBondContact O-N 2.97Š|
| 122 | Q | 58.4 | Low | 57.9 | Low | 196 Ų | 196 | 135.8 Ų | 135.8 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | | | trans | -79.7 | 100.9 | 162.7 | -70.1 | -170.6 | -26.3 | 0 | 0 | 108.6 | P120 | P120-Q122 PolarHBondContact O-N 3.35Š|
| 123 | S | 57.8 | Low | 58.7 | Low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | | | trans | -168.7 | 97.4 | 162.9 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | P121 | P121-S123 PolarHBondContact O-N 2.97Š|
| 124 | T | 63 | Low | 59.2 | Low | 123 Ų | 123 | 139.1 Ų | 139.1 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | | | trans | -143.2 | 105.4 | 140.9 | -38.8 | 0 | 0 | 0 | 0 | 108 | | |
| 125 | G | 53.7 | Low | 59.4 | Low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | | | trans | -65 | 129.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 126 | W | 62.5 | Low | 60 | Low | 242 Ų | 242 | 137.1 Ų | 137.1 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | | | trans | -105.7 | 89 | 156.3 | -75.5 | 92.6 | 0 | 0 | 0 | 107.1 | | |
| 127 | Q | 57.1 | Low | 59.9 | Low | 203 Ų | 203 | 138.9 Ų | 138.9 | 95% | 0.949 | 84% | 0.835 | S | S | * | * | | | trans | -87.9 | 107.6 | 150.8 | -87.1 | -178 | 8.5 | 0 | 0 | 106.5 | | |
| 128 | G | 55 | Low | 60.1 | Low | 61 Ų | 61 | 140 Ų | 140 | 63% | 0.629 | 84% | 0.84 | S | S | * | * | | | trans | -149.2 | 95.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 129 | A | 56.7 | Low | 60.1 | Low | 90 Ų | 90 | 141.8 Ų | 141.8 | 74% | 0.744 | 84% | 0.844 | S | S | * | * | | | | 70.8 | 95.7 | 101.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 130 | N | 56.3 | Low | 59.7 | Low | 165 Ų | 165 | 140.5 Ų | 140.5 | 88% | 0.882 | 85% | 0.846 | S | S | * | * | | | | -163.6 | 134.4 | 115.7 | -86.2 | -23.3 | 0 | 0 | 0 | 109.4 | | |
| 131 | S | 52.4 | Low | 58.6 | Low | 195 Ų | 195 | 143.8 Ų | 143.8 | 100% | 1.364 | 86% | 0.861 | S | S | * | * | | | trans | -56.3 | 0 | 171.7 | -47.9 | 0 | 0 | 0 | 0 | 113.6 | | |