| 1 | M | 64.3 | Low | 74.2 | Confident | 213 Ų | 213 | 179.5 Ų | 179.5 | 100% | 1.049 | 79% | 0.788 | S | S | * | * | | | | 0 | 102.8 | 0 | -67.4 | -172.8 | -74.9 | 0 | 0 | 108.2 | R3 | M1-R3 WeakPolarHBondContact O-CG 3.44Å; M1-R3 PolarHBondContact O-N 3.06Å |
| 2 | L | 67.3 | Low | 73.9 | Confident | 165 Ų | 165 | 169 Ų | 169 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | -63.6 | 107.1 | -172.6 | -67.7 | 166.4 | 0 | 0 | 0 | 109.5 | | |
| 3 | R | 70.8 | Confident | 73.4 | Confident | 215 Ų | 215 | 167.9 Ų | 167.9 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | -86.6 | 126.2 | 179 | -54.8 | -173 | -161.3 | -131.8 | 4.3 | 107.8 | M1 | M1-R3 WeakPolarHBondContact O-CG 3.44Å; M1-R3 PolarHBondContact O-N 3.06Å |
| 4 | R | 73.6 | Confident | 72.7 | Confident | 191 Ų | 191 | 168.1 Ų | 168.1 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | trans | 99.4 | 60.4 | 176.1 | -51.6 | 177.3 | -61.7 | -174.5 | 3.9 | 116.1 | D6 | R4-D6 WeakPolarHBondContact CA-OD1 3.46Å; R4-D6 WeakPolarHBondContact CA-OD2 3.37Å |
| 5 | L | 73.8 | Confident | 72.1 | Confident | 115 Ų | 115 | 167.5 Ų | 167.5 | 60% | 0.602 | 75% | 0.752 | S | S | * | * | | | trans | -78.3 | -9.2 | 162.1 | -61.4 | 177.6 | 0 | 0 | 0 | 112 | K7 I8 | L5-K7 PolarHBondContact O-N 3Å; L5-I8 HydrophobicContact CB-CD1 4.46Å; L5-I8 HydrophobicContact CD2-CD1 3.79Å; L5-I8 WeakPolarHBondContact O-CB 3.47Å; L5-I8 PolarHBondContact O-N 3.37Å |
| 6 | D | 72.9 | Confident | 71.4 | Confident | 134 Ų | 134 | 164.4 Ų | 164.4 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -10.7 | -177.2 | 1.5 | -50.6 | 0 | 0 | 0 | 113.6 | R4 | R4-D6 WeakPolarHBondContact CA-OD1 3.46Å; R4-D6 WeakPolarHBondContact CA-OD2 3.37Å |
| 7 | K | 76.1 | Confident | 70.7 | Confident | 179 Ų | 179 | 162.9 Ų | 162.9 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -7.7 | 175.8 | -56.1 | -174.8 | 81.4 | 176.6 | 0 | 113.5 | L5 R9 | L5-K7 PolarHBondContact O-N 3Å; K7-R9 PolarHBondContact O-N 3.5Å |
| 8 | I | 80.3 | Confident | 70.1 | Confident | 102 Ų | 102 | 163.1 Ų | 163.1 | 52% | 0.523 | 74% | 0.743 | S | S | . | * | | | trans | -81.9 | 106 | -179.3 | -56.2 | 176.1 | 0 | 0 | 0 | 108.2 | L5 F10 | L5-I8 HydrophobicContact CB-CD1 4.46Å; L5-I8 HydrophobicContact CD2-CD1 3.79Å; L5-I8 WeakPolarHBondContact O-CB 3.47Å; L5-I8 PolarHBondContact O-N 3.37Å; I8-F10 HydrophobicContact CG2-CD2 4.24Å; I8-F10 HydrophobicContact CG2-CE2 3.71Å; I8-F10 HydrophobicContact CG2-CZ 3.89Å |
| 9 | R | 81.8 | Confident | 69.6 | Low | 231 Ų | 231 | 161.9 Ų | 161.9 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | | | trans | -110.3 | 113.1 | 168.4 | -73.1 | 178.4 | 50.4 | 173.3 | -4.9 | 108.6 | K7 R11 | K7-R9 PolarHBondContact O-N 3.5Å; R9-R11 PolarHBondContact O-N 3.3Å |
| 10 | F | 76.4 | Confident | 69.2 | Low | 185 Ų | 185 | 160.4 Ų | 160.4 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | | | trans | -69.8 | 119.7 | 166.1 | -65.3 | -80.8 | 0 | 0 | 0 | 107.8 | I8 G12 | I8-F10 HydrophobicContact CG2-CD2 4.24Å; I8-F10 HydrophobicContact CG2-CE2 3.71Å; I8-F10 HydrophobicContact CG2-CZ 3.89Å; F10-G12 PolarHBondContact O-N 2.63Å |
| 11 | R | 78.9 | Confident | 68.9 | Low | 245 Ų | 245 | 160.3 Ų | 160.3 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | | | trans | -61.8 | 108.2 | 166.6 | -173.8 | 157.3 | 76.8 | 178.5 | 5.5 | 105.6 | R9 | R9-R11 PolarHBondContact O-N 3.3Š|
| 12 | G | 70.9 | Confident | 68.9 | Low | 53 Ų | 53 | 153.9 Ų | 153.9 | 55% | 0.546 | 73% | 0.726 | S | S | . | * | | | trans | -49.7 | 145.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F10 K14 | F10-G12 PolarHBondContact O-N 2.63Å; G12-K14 PolarHBondContact O-N 3.12Å |
| 13 | H | 67 | Low | 68.7 | Low | 155 Ų | 155 | 154.1 Ų | 154.1 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | | | trans | -50.1 | 91.4 | 177 | -167.7 | 72.7 | 0 | 0 | 0 | 111.8 | R15 | H13-R15 WeakPolarHBondContact CE1-CD 3.35Å; H13-R15 WeakPolarHBondContact CE1-CG 3.47Å; H13-R15 WeakPolarHBondContact NE2-CD 3.47Å; H13-R15 WeakPolarHBondContact NE2-CG 3.41Å; H13-R15 PolarHBondContact O-N 3.24Å |
| 14 | K | 64.3 | Low | 68.3 | Low | 171 Ų | 171 | 149.2 Ų | 149.2 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | trans | -88 | 74.6 | 160.4 | -62 | -78.1 | -177.6 | 170 | 0 | 105.8 | G12 D16 | G12-K14 PolarHBondContact O-N 3.12Å; K14-D16 PolarHBondContact O-N 2.95Å |
| 15 | R | 62.4 | Low | 68 | Low | 158 Ų | 158 | 145.3 Ų | 145.3 | 60% | 0.596 | 72% | 0.721 | S | S | * | * | | | trans | -74 | 80.6 | 153 | -83.1 | 177.5 | 81.6 | 157 | 0.9 | 104.5 | H13 D17 | H13-R15 WeakPolarHBondContact CE1-CD 3.35Å; H13-R15 WeakPolarHBondContact CE1-CG 3.47Å; H13-R15 WeakPolarHBondContact NE2-CD 3.47Å; H13-R15 WeakPolarHBondContact NE2-CG 3.41Å; H13-R15 PolarHBondContact O-N 3.24Å; R15-D17 PolarHBondContact O-N 3.39Å |
| 16 | D | 61.9 | Low | 67.5 | Low | 119 Ų | 119 | 147.5 Ų | 147.5 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | trans | -62.1 | 100.8 | 159 | -61.2 | -45.1 | 0 | 0 | 0 | 104.1 | K14 F18 | K14-D16 PolarHBondContact O-N 2.95Å; D16-F18 PolarHBondContact O-N 3.26Å |
| 17 | D | 59.1 | Low | 67.1 | Low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | trans | 37.6 | 70.6 | 158.5 | -51.3 | -38.1 | 0 | 0 | 0 | 116.2 | R15 L19 | R15-D17 PolarHBondContact O-N 3.39Å; D17-L19 PolarHBondContact O-N 3.5Å |
| 18 | F | 60.1 | Low | 66.4 | Low | 165 Ų | 165 | 141 Ų | 141 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | | | trans | -77.2 | 68.2 | 149.1 | -78.3 | -81.7 | 0 | 0 | 0 | 108.5 | D16 D20 | D16-F18 PolarHBondContact O-N 3.26Å; F18-D20 PolarHBondContact O-N 2.95Å |
| 19 | L | 60.2 | Low | 65.8 | Low | 142 Ų | 142 | 143.7 Ų | 143.7 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | trans | -79.8 | 64.4 | 148.7 | -83.6 | 164.3 | 0 | 0 | 0 | 107.3 | D17 L21 | D17-L19 PolarHBondContact O-N 3.5Å; L19-L21 HydrophobicContact CD2-CB 4.3Å |
| 20 | D | 62.5 | Low | 64.8 | Low | 130 Ų | 130 | 138.7 Ų | 138.7 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | | | trans | -99.4 | 61.5 | 150.1 | -164.3 | 8.8 | 0 | 0 | 0 | 106.6 | F18 A22 | F18-D20 PolarHBondContact O-N 2.95Å; D20-A22 VanDerWaalsContact C-N 3.32Å; D20-A22 VanDerWaalsContact OD1-O 3.1Å |
| 21 | L | 62.3 | Low | 64.1 | Low | 159 Ų | 159 | 138.3 Ų | 138.3 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | trans | -100 | 16.7 | 173.7 | -152.2 | 76 | 0 | 0 | 0 | 110.5 | L19 | L19-L21 HydrophobicContact CD2-CB 4.3Š|
| 22 | A | 64.9 | Low | 63.2 | Low | 79 Ų | 79 | 131.9 Ų | 131.9 | 65% | 0.653 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -150.5 | 106.4 | 173 | 0 | 0 | 0 | 0 | 0 | 105.8 | D20 | D20-A22 VanDerWaalsContact C-N 3.32Å; D20-A22 VanDerWaalsContact OD1-O 3.1Å |
| 23 | E | 63.5 | Low | 62.4 | Low | 170 Ų | 170 | 133.4 Ų | 133.4 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | | | | -173.3 | 94.3 | 57.1 | 179.9 | 175.2 | 176.2 | 0 | 0 | 108.3 | P25 | E23-P25 WeakPolarHBondContact O-CD 3.41Š|
| 24 | S | 62.4 | Low | 62 | Low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | | | trans | -74.3 | 121.8 | 159.7 | 43.3 | 0 | 0 | 0 | 0 | 107.3 | N26 | S24-N26 PolarHBondContact O-N 3.46Š|
| 25 | P | 66.8 | Low | 61.6 | Low | 109 Ų | 109 | 132.6 Ų | 132.6 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | | | trans | -53.2 | 130.4 | 179.1 | -25.4 | 33.6 | 0 | 0 | 0 | 110.6 | E23 A27 | E23-P25 WeakPolarHBondContact O-CD 3.41Å; P25-A27 PolarHBondContact O-N 3.4Å |
| 26 | N | 62.3 | Low | 61.1 | Low | 161 Ų | 161 | 131.2 Ų | 131.2 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | | | trans | -72.4 | 8.9 | -179.1 | 69.4 | 3.6 | 0 | 0 | 0 | 114.1 | S24 S28 | S24-N26 PolarHBondContact O-N 3.46Å; N26-S28 PolarHBondContact O-N 3.04Å |
| 27 | A | 64 | Low | 60.6 | Low | 74 Ų | 74 | 130.1 Ų | 130.1 | 61% | 0.612 | 74% | 0.736 | S | S | * | * | | | trans | -84.8 | 68.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P25 D29 | P25-A27 PolarHBondContact O-N 3.4Å; A27-D29 VanDerWaalsContact C-N 3.29Å; A27-D29 PolarHBondContact O-N 3.15Å |
| 28 | S | 62.4 | Low | 60.3 | Low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | -76.8 | 84.7 | 156.7 | -64 | 0 | 0 | 0 | 0 | 107.8 | N26 T30 | N26-S28 PolarHBondContact O-N 3.04Å; S28-T30 PolarHBondContact O-N 3.38Å |
| 29 | D | 67.2 | Low | 59.7 | Low | 159 Ų | 159 | 132.2 Ų | 132.2 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | | | trans | -71.9 | 98.9 | 168.9 | -82.2 | -19.8 | 0 | 0 | 0 | 108.4 | A27 | A27-D29 VanDerWaalsContact C-N 3.29Å; A27-D29 PolarHBondContact O-N 3.15Å |
| 30 | T | 61.1 | Low | 59.4 | Low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | trans | -97.3 | 84.9 | 169.7 | -40.1 | 0 | 0 | 0 | 0 | 107.6 | S28 | S28-T30 PolarHBondContact O-N 3.38Š|
| 31 | E | 62.5 | Low | 58.8 | Low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | -106.5 | 69.8 | 160.9 | -172.5 | -173.7 | 120.6 | 0 | 0 | 108.2 | S33 | E31-S33 VanDerWaalsContact C-N 3.25Å; E31-S33 PolarHBondContact O-N 2.93Å |
| 32 | C | 60.1 | Low | 58.2 | Low | 111 Ų | 111 | 133.7 Ų | 133.7 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | | | trans | -86 | 84.7 | 153.7 | -168.7 | 0 | 0 | 0 | 0 | 105.5 | D34 | C32-D34 PolarHBondContact O-N 3.24Š|
| 33 | S | 53.3 | Low | 57.4 | Low | 85 Ų | 85 | 136.4 Ų | 136.4 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | | | trans | -64.5 | 105.6 | 171.7 | -166.6 | 0 | 0 | 0 | 0 | 107.8 | E31 E35 | E31-S33 VanDerWaalsContact C-N 3.25Å; E31-S33 PolarHBondContact O-N 2.93Å; S33-E35 VanDerWaalsContact C-N 3.26Å; S33-E35 PolarHBondContact O-N 3.38Å |
| 34 | D | 58.7 | Low | 56.5 | Low | 129 Ų | 129 | 133.7 Ų | 133.7 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | | | trans | -75.8 | 75.3 | 179 | -158.9 | 19.5 | 0 | 0 | 0 | 109.3 | C32 I36 | C32-D34 PolarHBondContact O-N 3.24Å; D34-I36 PolarHBondContact O-N 3.48Å; D34-I36 WeakPolarHBondContact OD1-CD1 3.31Å; D34-I36 WeakPolarHBondContact OD1-CG1 3.39Å |
| 35 | E | 55.8 | Low | 56.1 | Low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | | | trans | -93.7 | 69.9 | 168.7 | 57.8 | 173 | -160.1 | 0 | 0 | 111.3 | S33 | S33-E35 VanDerWaalsContact C-N 3.26Å; S33-E35 PolarHBondContact O-N 3.38Å |
| 36 | I | 52.4 | Low | 55.2 | Low | 128 Ų | 128 | 140.1 Ų | 140.1 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | trans | -92.6 | 150.5 | 161 | -15.6 | 176.9 | 0 | 0 | 0 | 107 | D34 | D34-I36 PolarHBondContact O-N 3.48Å; D34-I36 WeakPolarHBondContact OD1-CD1 3.31Å; D34-I36 WeakPolarHBondContact OD1-CG1 3.39Å |
| 37 | P | 51.3 | Low | 54.1 | Low | 96 Ų | 96 | 139.8 Ų | 139.8 | 62% | 0.623 | 76% | 0.763 | S | S | * | * | | | cis | -144.9 | 170.8 | 4.4 | 45.1 | -26.1 | 0 | 0 | 0 | 116.4 | | |
| 38 | L | 51.6 | Low | 53.2 | Low | 155 Ų | 155 | 140.6 Ų | 140.6 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | 77.4 | 110.3 | 158.5 | -45.8 | 166.1 | 0 | 0 | 0 | 117.1 | | |
| 39 | K | 49.1 | Very low | 52.8 | Low | 194 Ų | 194 | 143.8 Ų | 143.8 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | | 171.9 | 124.9 | 105.5 | -96.1 | 173.8 | -178.2 | 176.5 | 0 | 115.1 | | |
| 40 | V | 52.7 | Low | 52.2 | Low | 109 Ų | 109 | 145 Ų | 145 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | | | trans | 85.2 | 124.2 | 147.9 | -154 | 0 | 0 | 0 | 0 | 118.4 | | |
| 41 | P | 51.4 | Low | 51.8 | Low | 123 Ų | 123 | 146.8 Ų | 146.8 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -72.3 | 127.9 | 168.5 | -3.8 | 20.5 | 0 | 0 | 0 | 110.4 | | |
| 42 | R | 48.5 | Very low | 51.6 | Low | 229 Ų | 229 | 149.4 Ų | 149.4 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -124 | 107.3 | 166 | -83.5 | -170 | 161 | 109.9 | -2.7 | 110.7 | | |
| 43 | T | 48.6 | Very low | 50.8 | Low | 136 Ų | 136 | 149.1 Ų | 149.1 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | trans | -63.3 | 128.5 | 161.9 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 44 | S | 43.7 | Very low | 50.9 | Low | 113 Ų | 113 | 150.6 Ų | 150.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -165.2 | 139 | 144.1 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 45 | P | 55.5 | Low | 50.6 | Low | 118 Ų | 118 | 148.2 Ų | 148.2 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -99.2 | 156 | -178.3 | 38.1 | -31.6 | 0 | 0 | 0 | 113.2 | | |
| 46 | R | 46.1 | Very low | 50.3 | Low | 238 Ų | 238 | 141.8 Ų | 141.8 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | | | trans | 88.5 | 112.7 | 166.7 | -64.9 | -179.1 | 173.2 | -173.2 | -3.7 | 118.4 | | |
| 47 | D | 40.4 | Very low | 50.5 | Low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | | -161.1 | 120.8 | 98.1 | -99.4 | -21.5 | 0 | 0 | 0 | 107.1 | | |
| 48 | S | 45.5 | Very low | 50.7 | Low | 90 Ų | 90 | 141.2 Ų | 141.2 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | | 48.2 | 123.9 | 87.1 | -121.3 | 0 | 0 | 0 | 0 | 111 | | |
| 49 | E | 54.1 | Low | 50.7 | Low | 168 Ų | 168 | 138.8 Ų | 138.8 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | cis | 176 | 35 | 13.6 | 51.3 | -170.2 | 81.6 | 0 | 0 | 111.5 | | |
| 50 | E | 54.9 | Low | 50.9 | Low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | trans | -124.1 | 127.6 | -177.5 | -79.6 | -173.6 | 125.6 | 0 | 0 | 114.6 | | |
| 51 | L | 51.2 | Low | 51.1 | Low | 165 Ų | 165 | 138 Ų | 138 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | trans | 74.8 | 74.5 | 171.7 | -98.1 | 78.5 | 0 | 0 | 0 | 118.2 | D53 | L51-D53 PolarHBondContact O-N 3.21Š|
| 52 | R | 58.4 | Low | 51.3 | Low | 231 Ų | 231 | 139.3 Ų | 139.3 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | | | trans | -38.7 | 99.7 | 138.1 | -83.9 | -83.5 | -59.8 | 179.1 | 5.2 | 112.7 | | |
| 53 | D | 43.1 | Very low | 51.7 | Low | 104 Ų | 104 | 131.1 Ų | 131.1 | 56% | 0.556 | 74% | 0.74 | S | S | * | * | | | trans | -132.2 | 115.6 | 152.5 | -172.5 | 2.3 | 0 | 0 | 0 | 109 | L51 A55 | L51-D53 PolarHBondContact O-N 3.21Å; D53-A55 PolarHBondContact O-N 2.85Å; D53-A55 WeakPolarHBondContact OD1-CB 2.84Å; D53-A55 PolarHBondContact OD1-N 3.19Å |
| 54 | P | 55.7 | Low | 52 | Low | 116 Ų | 116 | 130.4 Ų | 130.4 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -0.2 | 173.8 | 30 | -33.7 | 0 | 0 | 0 | 113.6 | | |
| 55 | A | 53.4 | Low | 52.6 | Low | 79 Ų | 79 | 126.8 Ų | 126.8 | 65% | 0.653 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 30.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D53 | D53-A55 PolarHBondContact O-N 2.85Å; D53-A55 WeakPolarHBondContact OD1-CB 2.84Å; D53-A55 PolarHBondContact OD1-N 3.19Å |
| 56 | G | 48.1 | Very low | 52.5 | Low | 46 Ų | 46 | 126.2 Ų | 126.2 | 47% | 0.474 | 71% | 0.71 | S | S | . | * | | | trans | -77.3 | 145.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G58 | G56-G58 PolarHBondContact O-N 3.07Š|
| 57 | P | 57.5 | Low | 53 | Low | 143 Ų | 143 | 123.1 Ų | 123.1 | 93% | 0.929 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 100.5 | -177.9 | 30.1 | -31.4 | 0 | 0 | 0 | 110.1 | | |
| 58 | G | 55 | Low | 54 | Low | 69 Ų | 69 | 117.7 Ų | 117.7 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.1 | 7.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | G56 | G56-G58 PolarHBondContact O-N 3.07Š|
| 59 | T | 52 | Low | 54.8 | Low | 103 Ų | 103 | 121.8 Ų | 121.8 | 63% | 0.632 | 68% | 0.684 | S | S | * | * | | | trans | -143.6 | 83.8 | 166.2 | -47.3 | 0 | 0 | 0 | 0 | 110.3 | I61 | T59-I61 HydrophobicContact CG2-CD1 3.54Å; T59-I61 HydrophobicContact CG2-CG1 3.75Å; T59-I61 PolarHBondContact O-N 3.42Å |
| 60 | L | 52.8 | Low | 55.6 | Low | 155 Ų | 155 | 121.3 Ų | 121.3 | 81% | 0.812 | 69% | 0.687 | S | S | * | * | | | trans | -59.3 | 98.2 | 145.8 | -69.5 | 174.3 | 0 | 0 | 0 | 105.2 | M62 | L60-M62 HydrophobicContact CB-CG 3.7Å; L60-M62 HydrophobicContact CD1-CG 4.36Å; L60-M62 PolarHBondContact O-N 3.32Å |
| 61 | I | 56.3 | Low | 57 | Low | 133 Ų | 133 | 118 Ų | 118 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | | | trans | -65.8 | 73.2 | 157.9 | -53.4 | -86.4 | 0 | 0 | 0 | 104.7 | T59 A63 | T59-I61 HydrophobicContact CG2-CD1 3.54Å; T59-I61 HydrophobicContact CG2-CG1 3.75Å; T59-I61 PolarHBondContact O-N 3.42Å; I61-A63 HydrophobicContact CG2-CB 3.8Å; I61-A63 PolarHBondContact O-N 2.64Å |
| 62 | M | 55.8 | Low | 58.7 | Low | 149 Ų | 149 | 113.8 Ų | 113.8 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | | | trans | -77.1 | 25.5 | 161.2 | -69.9 | -108.6 | -70.3 | 0 | 0 | 109.2 | L60 T64 | L60-M62 HydrophobicContact CB-CG 3.7Å; L60-M62 HydrophobicContact CD1-CG 4.36Å; L60-M62 PolarHBondContact O-N 3.32Å; M62-T64 PolarHBondContact O-N 3.48Å; M62-T64 VanDerWaalsContact O-N 3.1Å |
| 63 | A | 58 | Low | 60 | Low | 57 Ų | 57 | 109.1 Ų | 109.1 | 47% | 0.471 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | 47 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I61 G65 V66 | I61-A63 HydrophobicContact CG2-CB 3.8Å; I61-A63 PolarHBondContact O-N 2.64Å; A63-G65 VanDerWaalsContact C-N 3.33Å; A63-V66 HydrophobicContact CB-CG2 3.94Å |
| 64 | T | 54.6 | Low | 62.2 | Low | 121 Ų | 121 | 111.3 Ų | 111.3 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -25.6 | 148.6 | 64.5 | 0 | 0 | 0 | 0 | 109.7 | M62 V66 | M62-T64 PolarHBondContact O-N 3.48Å; M62-T64 VanDerWaalsContact O-N 3.1Å; T64-V66 PolarHBondContact O-N 3.35Å |
| 65 | G | 55.6 | Low | 63.8 | Low | 38 Ų | 38 | 109.3 Ų | 109.3 | 39% | 0.392 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.1 | -0.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | A63 | A63-G65 VanDerWaalsContact C-N 3.33Š|
| 66 | V | 53.4 | Low | 65.6 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -19.6 | -177.8 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | A63 T64 | A63-V66 HydrophobicContact CB-CG2 3.94Å; T64-V66 PolarHBondContact O-N 3.35Å |
| 67 | Q | 58.3 | Low | 67.7 | Low | 173 Ų | 173 | 112.9 Ų | 112.9 | 81% | 0.808 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -90.4 | -8.7 | -179.8 | -65.6 | -155.2 | -4.4 | 0 | 0 | 114.6 | | |
| 68 | D | 60.9 | Low | 69.3 | Low | 42 Ų | 42 | 110.3 Ų | 110.3 | 23% | 0.225 | 59% | 0.591 | C | S | . | * | G | 310 helix | trans | -94.5 | 0.5 | -169.9 | -62.7 | -37.5 | 0 | 0 | 0 | 114.7 | N70 R71 | D68-N70 PolarHBondContact O-N 3.28Å; D68-N70 VanDerWaalsContact O-N 3.13Å; D68-R71 PolarHBondContact O-N 3.17Å; D68-R71 VanDerWaalsContact OD1-CD 3.31Å; D68-R71 WeakPolarHBondContact OD1-CD 3.37Å; D68-R71 IonicContact OD1-CZ 2.77Å; D68-R71 IonicContact OD1-NE 3.51Å; D68-R71 PolarHBondContact OD1-NE 2.96Å; D68-R71 IonicContact OD1-NH1 2.63Å |
| 69 | F | 60.7 | Low | 71 | Confident | 176 Ų | 176 | 111.2 Ų | 111.2 | 77% | 0.772 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -61.4 | -21.8 | 178.7 | -83.1 | -81.6 | 0 | 0 | 0 | 113.7 | | |
| 70 | N | 72.3 | Confident | 72.9 | Confident | 158 Ų | 158 | 111 Ų | 111 | 85% | 0.845 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -97.6 | -6.9 | 176 | -68.6 | -76.3 | 0 | 0 | 0 | 113.6 | D68 | D68-N70 PolarHBondContact O-N 3.28Å; D68-N70 VanDerWaalsContact O-N 3.13Å |
| 71 | R | 83.5 | Confident | 74.8 | Confident | 115 Ų | 115 | 109.2 Ų | 109.2 | 43% | 0.434 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -79 | 140.7 | 177.7 | -73.4 | -173.3 | 176.9 | -176.6 | -6 | 110 | D68 R76 E79 | D68-R71 PolarHBondContact O-N 3.17Å; D68-R71 VanDerWaalsContact OD1-CD 3.31Å; D68-R71 WeakPolarHBondContact OD1-CD 3.37Å; D68-R71 IonicContact OD1-CZ 2.77Å; D68-R71 IonicContact OD1-NE 3.51Å; D68-R71 PolarHBondContact OD1-NE 2.96Å; D68-R71 IonicContact OD1-NH1 2.63Å; R71-R76 HydrophobicContact CB-CG 4.41Å; R71-R76 PolarHBondContact O-NH1 3.29Å; R71-E79 IonicContact NH1-OE2 3.45Å; R71-E79 PolarHBondContact NH1-OE2 3.24Å |
| 72 | T | 86.8 | Confident | 76.5 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | | | trans | -67.1 | 154.1 | 174 | 71.9 | 0 | 0 | 0 | 0 | 109.8 | F74 D75 R76 | T72-F74 PolarHBondContact O-N 3.27Å; T72-D75 PolarHBondContact N-OD2 3.01Å; T72-D75 PolarHBondContact O-N 3.45Å; T72-D75 VanDerWaalsContact O-N 3.17Å; T72-D75 PolarHBondContact OG1-N 2.84Å; T72-D75 PolarHBondContact OG1-OD2 3.13Å; T72-R76 PolarHBondContact O-N 3.46Å |
| 73 | E | 86.7 | Confident | 78.2 | Confident | 133 Ų | 133 | 104.8 Ų | 104.8 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.3 | -34.9 | 174.8 | -174 | 175.6 | -169 | 0 | 0 | 112.3 | R76 L77 | E73-R76 VanDerWaalsContact CA-CZ 3.5Å; E73-R76 VanDerWaalsContact CA-NH2 3.3Å; E73-R76 VanDerWaalsContact CB-NH2 3.33Å; E73-R76 PolarHBondContact O-N 3.05Å; E73-L77 HydrophobicContact CG-CD1 4.28Å; E73-L77 WeakPolarHBondContact O-CG 3.35Å; E73-L77 PolarHBondContact O-N 3.33Å |
| 74 | F | 87.9 | Confident | 79.7 | Confident | 150 Ų | 150 | 108.3 Ų | 108.3 | 66% | 0.658 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.3 | -46.8 | 175.4 | 179.9 | -96.6 | 0 | 0 | 0 | 112.3 | T72 R76 L77 N78 | T72-F74 PolarHBondContact O-N 3.27Å; F74-R76 VanDerWaalsContact C-N 3.3Å; F74-R76 PolarHBondContact O-N 3.3Å; F74-L77 PolarHBondContact O-N 2.86Å; F74-N78 WeakPolarHBondContact O-CB 3.07Å; F74-N78 PolarHBondContact O-N 2.77Å |
| 75 | D | 90 | Very high | 81 | Confident | 73 Ų | 73 | 108.6 Ų | 108.6 | 39% | 0.39 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 179.7 | -60.3 | -44.1 | 0 | 0 | 0 | 111.5 | T72 N78 E79 | T72-D75 PolarHBondContact N-OD2 3.01Å; T72-D75 PolarHBondContact O-N 3.45Å; T72-D75 VanDerWaalsContact O-N 3.17Å; T72-D75 PolarHBondContact OG1-N 2.84Å; T72-D75 PolarHBondContact OG1-OD2 3.13Å; D75-N78 PolarHBondContact O-N 3.31Å; D75-E79 PolarHBondContact O-N 3.1Å |
| 76 | R | 90.7 | Very high | 81.7 | Confident | 97 Ų | 97 | 118.1 Ų | 118.1 | 37% | 0.366 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63 | -44.7 | 176.3 | -63.8 | -169.3 | -62.9 | -93.5 | 4.1 | 111.9 | R71 T72 E73 F74 N78 E79 I80 | R71-R76 HydrophobicContact CB-CG 4.41Å; R71-R76 PolarHBondContact O-NH1 3.29Å; T72-R76 PolarHBondContact O-N 3.46Å; E73-R76 VanDerWaalsContact CA-CZ 3.5Å; E73-R76 VanDerWaalsContact CA-NH2 3.3Å; E73-R76 VanDerWaalsContact CB-NH2 3.33Å; E73-R76 PolarHBondContact O-N 3.05Å; F74-R76 VanDerWaalsContact C-N 3.3Å; F74-R76 PolarHBondContact O-N 3.3Å; R76-N78 VanDerWaalsContact C-N 3.31Å; R76-N78 PolarHBondContact O-N 3.05Å; R76-E79 PolarHBondContact O-N 3.17Å; R76-I80 WeakPolarHBondContact O-CG1 3.47Å; R76-I80 PolarHBondContact O-N 2.89Å |
| 77 | L | 92.1 | Very high | 83.1 | Confident | 103 Ų | 103 | 118.8 Ų | 118.8 | 54% | 0.539 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.9 | -35.5 | 177.9 | -71 | 172.3 | 0 | 0 | 0 | 111.9 | E73 F74 I80 K81 | E73-L77 HydrophobicContact CG-CD1 4.28Å; E73-L77 WeakPolarHBondContact O-CG 3.35Å; E73-L77 PolarHBondContact O-N 3.33Å; F74-L77 PolarHBondContact O-N 2.86Å; L77-I80 PolarHBondContact O-N 2.95Å; L77-K81 WeakPolarHBondContact O-CB 3.45Å; L77-K81 PolarHBondContact O-N 3.05Å |
| 78 | N | 91.6 | Very high | 84.4 | Confident | 89 Ų | 89 | 115.9 Ų | 115.9 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.6 | -37.1 | 178.4 | -169 | 54.3 | 0 | 0 | 0 | 112.4 | F74 D75 R76 K81 G82 | F74-N78 WeakPolarHBondContact O-CB 3.07Å; F74-N78 PolarHBondContact O-N 2.77Å; D75-N78 PolarHBondContact O-N 3.31Å; R76-N78 VanDerWaalsContact C-N 3.31Å; R76-N78 PolarHBondContact O-N 3.05Å; N78-K81 WeakPolarHBondContact O-CB 3.18Å; N78-K81 PolarHBondContact O-N 2.97Å; N78-G82 PolarHBondContact O-N 3.05Å |
| 79 | E | 90.3 | Very high | 85.7 | Confident | 88 Ų | 88 | 120.1 Ų | 120.1 | 41% | 0.411 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.3 | -49 | 173.4 | -177 | 173.9 | 168.2 | 0 | 0 | 111.5 | R71 D75 R76 K81 G82 H83 | R71-E79 IonicContact NH1-OE2 3.45Å; R71-E79 PolarHBondContact NH1-OE2 3.24Å; D75-E79 PolarHBondContact O-N 3.1Å; R76-E79 PolarHBondContact O-N 3.17Å; E79-K81 VanDerWaalsContact C-N 3.28Å; E79-K81 PolarHBondContact O-N 3.25Å; E79-G82 PolarHBondContact O-N 2.97Å; E79-G82 VanDerWaalsContact O-N 3.15Å; E79-H83 PolarHBondContact O-N 2.71Å; E79-H83 PolarHBondContact O-ND1 2.95Å |
| 80 | I | 91.8 | Very high | 87.2 | Confident | 99 Ų | 99 | 116.8 Ų | 116.8 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.7 | -42.8 | 176.2 | -65.1 | 167.2 | 0 | 0 | 0 | 110.5 | R76 L77 G82 H83 L84 | R76-I80 WeakPolarHBondContact O-CG1 3.47Å; R76-I80 PolarHBondContact O-N 2.89Å; L77-I80 PolarHBondContact O-N 2.95Å; I80-G82 PolarHBondContact O-N 3.24Å; I80-H83 PolarHBondContact O-N 3.2Å; I80-L84 HydrophobicContact CG2-CD1 3.99Å; I80-L84 WeakPolarHBondContact O-CG 3.04Å; I80-L84 PolarHBondContact O-N 3.03Å |
| 81 | K | 92.6 | Very high | 88.1 | Confident | 117 Ų | 117 | 114.2 Ų | 114.2 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57 | -48.1 | 175.7 | 177.2 | -178.1 | 171.4 | -70.4 | 0 | 111.5 | L77 N78 E79 H83 L84 E85 | L77-K81 WeakPolarHBondContact O-CB 3.45Å; L77-K81 PolarHBondContact O-N 3.05Å; N78-K81 WeakPolarHBondContact O-CB 3.18Å; N78-K81 PolarHBondContact O-N 2.97Å; E79-K81 VanDerWaalsContact C-N 3.28Å; E79-K81 PolarHBondContact O-N 3.25Å; K81-H83 VanDerWaalsContact C-N 3.25Å; K81-H83 PolarHBondContact O-N 3.07Å; K81-L84 PolarHBondContact O-N 3.28Å; K81-L84 VanDerWaalsContact O-N 3.12Å; K81-E85 IonicContact NZ-OE1 3.61Å; K81-E85 PolarHBondContact NZ-OE1 3.33Å; K81-E85 PolarHBondContact O-N 3.45Å |
| 82 | G | 92.4 | Very high | 88.4 | Confident | 41 Ų | 41 | 114.1 Ų | 114.1 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.9 | -28.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N78 E79 I80 L84 | N78-G82 PolarHBondContact O-N 3.05Å; E79-G82 PolarHBondContact O-N 2.97Å; E79-G82 VanDerWaalsContact O-N 3.15Å; I80-G82 PolarHBondContact O-N 3.24Å; G82-L84 VanDerWaalsContact C-N 3.3Å; G82-L84 PolarHBondContact O-N 3.05Å |
| 83 | H | 91.3 | Very high | 88.5 | Confident | 149 Ų | 149 | 116.8 Ų | 116.8 | 69% | 0.69 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -77.2 | -16.1 | 177.4 | -71.7 | 47.7 | 0 | 0 | 0 | 113.5 | E79 I80 K81 | E79-H83 PolarHBondContact O-N 2.71Å; E79-H83 PolarHBondContact O-ND1 2.95Å; I80-H83 PolarHBondContact O-N 3.2Å; K81-H83 VanDerWaalsContact C-N 3.25Å; K81-H83 PolarHBondContact O-N 3.07Å |
| 84 | L | 91.3 | Very high | 88.7 | Confident | 131 Ų | 131 | 115.5 Ų | 115.5 | 69% | 0.686 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -2.8 | -178 | -64.6 | 172.8 | 0 | 0 | 0 | 112.8 | I80 K81 G82 I86 | I80-L84 HydrophobicContact CG2-CD1 3.99Å; I80-L84 WeakPolarHBondContact O-CG 3.04Å; I80-L84 PolarHBondContact O-N 3.03Å; K81-L84 PolarHBondContact O-N 3.28Å; K81-L84 VanDerWaalsContact O-N 3.12Å; G82-L84 VanDerWaalsContact C-N 3.3Å; G82-L84 PolarHBondContact O-N 3.05Å; L84-I86 PolarHBondContact O-N 2.97Å |
| 85 | E | 80.6 | Confident | 88.7 | Confident | 126 Ų | 126 | 112.7 Ų | 112.7 | 59% | 0.589 | 57% | 0.568 | S | S | * | * | | | trans | -80.2 | 105 | 172.8 | -68.5 | 176.8 | -171.2 | 0 | 0 | 108.8 | K81 | K81-E85 IonicContact NZ-OE1 3.61Å; K81-E85 PolarHBondContact NZ-OE1 3.33Å; K81-E85 PolarHBondContact O-N 3.45Å |
| 86 | I | 70.5 | Confident | 88.6 | Confident | 239 Ų | 239 | 116.3 Ų | 116.3 | 100% | 1.226 | 58% | 0.584 | S | S | * | * | | | trans | -96.6 | 0 | 175.1 | 58.1 | 166.3 | 0 | 0 | 0 | 112.7 | L84 | L84-I86 PolarHBondContact O-N 2.97Š|