| 1 | M | 63.1 | Low | 65.3 | Low | 246 Ų | 246 | 131.5 Ų | 131.5 | 100% | 1.212 | 77% | 0.769 | S | S | * | * | | | | 0 | 99.4 | 0 | -160.9 | 168.4 | -75.5 | 0 | 0 | 106.1 | | |
| 2 | G | 68.8 | Low | 64.9 | Low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -78.8 | 134.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T4 | G2-T4 VanDerWaalsContact O-N 3.13Å; G2-T4 PolarHBondContact O-N 2.78Å |
| 3 | N | 66.8 | Low | 64.8 | Low | 160 Ų | 160 | 141.3 Ų | 141.3 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -79.3 | 91.5 | 170.2 | 48.7 | 11.6 | 0 | 0 | 0 | 108.6 | T5 | N3-T5 PolarHBondContact O-N 2.82Å; N3-T5 VanDerWaalsContact O-N 3.1Å |
| 4 | T | 65.8 | Low | 64.3 | Low | 125 Ų | 125 | 142.6 Ų | 142.6 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | -60.1 | 111.1 | 168.1 | 49.6 | 0 | 0 | 0 | 0 | 109.5 | G2 | G2-T4 VanDerWaalsContact O-N 3.13Å; G2-T4 PolarHBondContact O-N 2.78Å |
| 5 | T | 65.9 | Low | 64.3 | Low | 108 Ų | 108 | 138.8 Ų | 138.8 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | trans | 18.5 | 130.2 | 149.5 | -15.9 | 0 | 0 | 0 | 0 | 118.6 | N3 D7 | N3-T5 PolarHBondContact O-N 2.82Å; N3-T5 VanDerWaalsContact O-N 3.1Å; T5-D7 VanDerWaalsContact CG2-OD2 3.28Å; T5-D7 WeakPolarHBondContact CG2-OD2 2.88Å |
| 6 | S | 66.9 | Low | 64.3 | Low | 97 Ų | 97 | 135.3 Ų | 135.3 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | -133.6 | 82.8 | 155.5 | -71.8 | 0 | 0 | 0 | 0 | 108.9 | R8 | S6-R8 PolarHBondContact O-N 3.06Š|
| 7 | D | 68.4 | Low | 64.4 | Low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | -70 | 81.6 | 158.4 | -66.8 | -63.4 | 0 | 0 | 0 | 106.8 | T5 V9 | T5-D7 VanDerWaalsContact CG2-OD2 3.28Å; T5-D7 WeakPolarHBondContact CG2-OD2 2.88Å; D7-V9 PolarHBondContact O-N 3.22Å |
| 8 | R | 69.4 | Low | 64.5 | Low | 219 Ų | 219 | 136.6 Ų | 136.6 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | trans | -62.8 | 100.4 | 164.1 | -62 | -168.2 | -156.8 | 100.7 | 2.2 | 104.7 | S6 S10 | S6-R8 PolarHBondContact O-N 3.06Å; R8-S10 PolarHBondContact O-N 3.23Å |
| 9 | V | 60.6 | Low | 64.4 | Low | 129 Ų | 129 | 134.3 Ų | 134.3 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | -33.9 | 106.6 | 164 | 160 | 0 | 0 | 0 | 0 | 105.7 | D7 G11 | D7-V9 PolarHBondContact O-N 3.22Å; V9-G11 PolarHBondContact O-N 3.1Å |
| 10 | S | 60.8 | Low | 64.5 | Low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -70.7 | 80.4 | 167.5 | -164.3 | 0 | 0 | 0 | 0 | 103.2 | R8 E12 | R8-S10 PolarHBondContact O-N 3.23Å; S10-E12 PolarHBondContact O-N 2.81Å |
| 11 | G | 62.3 | Low | 64.2 | Low | 43 Ų | 43 | 138.1 Ų | 138.1 | 44% | 0.443 | 78% | 0.783 | S | S | . | * | | | trans | -47.8 | 121 | -177.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | V9 R13 | V9-G11 PolarHBondContact O-N 3.1Å; G11-R13 PolarHBondContact O-N 2.84Å |
| 12 | E | 60 | Low | 64.2 | Low | 162 Ų | 162 | 134.6 Ų | 134.6 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | | | trans | -18.9 | 101.9 | 164.5 | -171.1 | 149.7 | 87.6 | 0 | 0 | 108.3 | S10 H14 | S10-E12 PolarHBondContact O-N 2.81Å; E12-H14 PolarHBondContact O-CD2 3.33Å; E12-H14 PolarHBondContact O-N 2.91Å |
| 13 | R | 64.1 | Low | 63.5 | Low | 228 Ų | 228 | 134.1 Ų | 134.1 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | -66.6 | 90.5 | 178.9 | -74.7 | -173 | -68.1 | -173 | -3.5 | 103.7 | G11 G15 | G11-R13 PolarHBondContact O-N 2.84Å; R13-G15 VanDerWaalsContact C-N 3.34Å; R13-G15 WeakPolarHBondContact O-CA 3.43Å; R13-G15 PolarHBondContact O-N 2.59Å |
| 14 | H | 57.5 | Low | 63 | Low | 160 Ų | 160 | 131.4 Ų | 131.4 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -45.5 | 105.5 | -177.3 | -67.6 | 172.6 | 0 | 0 | 0 | 105.9 | E12 A16 | E12-H14 PolarHBondContact O-CD2 3.33Å; E12-H14 PolarHBondContact O-N 2.91Å; H14-A16 PolarHBondContact O-N 2.93Å |
| 15 | G | 63.8 | Low | 62.5 | Low | 85 Ų | 85 | 128.5 Ų | 128.5 | 88% | 0.876 | 75% | 0.753 | S | S | * | * | | | trans | -74.1 | 36 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R13 | R13-G15 VanDerWaalsContact C-N 3.34Å; R13-G15 WeakPolarHBondContact O-CA 3.43Å; R13-G15 PolarHBondContact O-N 2.59Å |
| 16 | A | 64.3 | Low | 61.9 | Low | 83 Ų | 83 | 126.2 Ų | 126.2 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | | | trans | -102.3 | 88.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | H14 A18 | H14-A16 PolarHBondContact O-N 2.93Å; A16-A18 PolarHBondContact O-N 3.15Å |
| 17 | K | 67.3 | Low | 61.2 | Low | 204 Ų | 204 | 130.3 Ų | 130.3 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | | | trans | -57 | 114 | 157.1 | -51.3 | -173.3 | -174.6 | -176.2 | 0 | 104.4 | A19 | K17-A19 PolarHBondContact O-N 3.31Š|
| 18 | A | 65.1 | Low | 60.5 | Low | 90 Ų | 90 | 126.2 Ų | 126.2 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | | | trans | -50.6 | 120.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | A16 R20 | A16-A18 PolarHBondContact O-N 3.15Å; A18-R20 PolarHBondContact O-N 3.28Å |
| 19 | A | 63.7 | Low | 59.8 | Low | 92 Ų | 92 | 122.4 Ų | 122.4 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | trans | -54.2 | 119.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 104 | K17 S21 | K17-A19 PolarHBondContact O-N 3.31Å; A19-S21 PolarHBondContact O-N 3.25Å |
| 20 | R | 65.4 | Low | 59.8 | Low | 242 Ų | 242 | 119.5 Ų | 119.5 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | | | trans | -56.8 | 101.1 | 162.8 | -74 | -173.1 | 165.7 | 87.8 | 0.8 | 103 | A18 E22 | A18-R20 PolarHBondContact O-N 3.28Å; R20-E22 VanDerWaalsContact C-N 3.25Å; R20-E22 PolarHBondContact O-N 2.84Å |
| 21 | S | 59.3 | Low | 59.8 | Low | 108 Ų | 108 | 122 Ų | 122 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | | | trans | -53.4 | 108.1 | 166.7 | 165 | 0 | 0 | 0 | 0 | 102.7 | A19 G23 | A19-S21 PolarHBondContact O-N 3.25Å; S21-G23 PolarHBondContact O-N 2.8Å |
| 22 | E | 63.1 | Low | 59.9 | Low | 172 Ų | 172 | 126.6 Ų | 126.6 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -57.7 | 99.1 | 161.9 | -172.5 | -170.7 | 125.3 | 0 | 0 | 102.7 | R20 A24 | R20-E22 VanDerWaalsContact C-N 3.25Å; R20-E22 PolarHBondContact O-N 2.84Å; E22-A24 PolarHBondContact O-N 3.45Å |
| 23 | G | 53.1 | Low | 60.5 | Low | 59 Ų | 59 | 126.5 Ų | 126.5 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | | | trans | -58.9 | 91.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 104.8 | S21 G25 | S21-G23 PolarHBondContact O-N 2.8Å; G23-G25 PolarHBondContact O-N 3.05Å |
| 24 | A | 57.3 | Low | 61 | Low | 102 Ų | 102 | 123.2 Ų | 123.2 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | | | trans | -59.6 | 79.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | E22 | E22-A24 PolarHBondContact O-N 3.45Š|
| 25 | G | 53.8 | Low | 61.8 | Low | 64 Ų | 64 | 122.5 Ų | 122.5 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | | | trans | -163.5 | 50.7 | -160.3 | 0 | 0 | 0 | 0 | 0 | 109 | G23 | G23-G25 PolarHBondContact O-N 3.05Š|
| 26 | G | 54.5 | Low | 62.2 | Low | 60 Ų | 60 | 126 Ų | 126 | 62% | 0.619 | 74% | 0.738 | S | S | * | * | | | trans | 58.2 | 91.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | A28 | G26-A28 PolarHBondContact O-N 2.94Š|
| 27 | H | 51.4 | Low | 62.9 | Low | 183 Ų | 183 | 128.7 Ų | 128.7 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | | | | -66 | 83.7 | 128 | -74.1 | 75.6 | 0 | 0 | 0 | 106.2 | | |
| 28 | A | 53.4 | Low | 63 | Low | 54 Ų | 54 | 122 Ų | 122 | 45% | 0.446 | 73% | 0.734 | S | S | . | * | | | trans | -55.9 | 130.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | G26 G30 | G26-A28 PolarHBondContact O-N 2.94Å; A28-G30 PolarHBondContact O-N 2.94Å |
| 29 | P | 55.3 | Low | 63 | Low | 140 Ų | 140 | 122 Ų | 122 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 89.8 | 171.4 | 29.1 | -31.2 | 0 | 0 | 0 | 106.8 | | |
| 30 | G | 59.5 | Low | 63.2 | Low | 68 Ų | 68 | 122.7 Ų | 122.7 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.1 | -0.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | A28 E32 | A28-G30 PolarHBondContact O-N 2.94Å; G30-E32 PolarHBondContact O-N 2.98Å |
| 31 | K | 61.2 | Low | 63.4 | Low | 162 Ų | 162 | 118.7 Ų | 118.7 | 70% | 0.704 | 72% | 0.721 | S | S | * | * | | | trans | -96.3 | 90.5 | 168.4 | -60.7 | -176.6 | -167.1 | -108.8 | 0 | 108.6 | H33 | K31-H33 PolarHBondContact O-N 3.22Š|
| 32 | E | 65.6 | Low | 64.1 | Low | 141 Ų | 141 | 116.9 Ų | 116.9 | 66% | 0.659 | 70% | 0.703 | S | S | * | * | | | trans | -48.2 | 111.4 | 162.4 | 40.6 | 175.4 | -173.4 | 0 | 0 | 109.1 | G30 K34 | G30-E32 PolarHBondContact O-N 2.98Å; E32-K34 WeakPolarHBondContact OE2-CE 3.29Å; E32-K34 PolarHBondContact OE1-NZ 3.07Å; E32-K34 IonicContact OE1-NZ 2.78Å; E32-K34 PolarHBondContact O-N 2.73Å; E32-K34 VanDerWaalsContact C-N 3.33Å; E32-K34 WeakPolarHBondContact OE1-CE 3.49Å |
| 33 | H | 72.5 | Confident | 64.3 | Low | 159 Ų | 159 | 113.7 Ų | 113.7 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | | | trans | -70 | 94.4 | 171.5 | -62.3 | 103 | 0 | 0 | 0 | 107.4 | K31 I35 | K31-H33 PolarHBondContact O-N 3.22Å; H33-I35 VanDerWaalsContact C-N 3.31Å; H33-I35 PolarHBondContact O-N 2.9Å |
| 34 | K | 74.5 | Confident | 65 | Low | 159 Ų | 159 | 114 Ų | 114 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | | | trans | -72.3 | 91.7 | 173.8 | -65.5 | -179.5 | -175.5 | 173.2 | 0 | 107.8 | E32 M36 | E32-K34 WeakPolarHBondContact OE2-CE 3.29Å; E32-K34 PolarHBondContact OE1-NZ 3.07Å; E32-K34 IonicContact OE1-NZ 2.78Å; E32-K34 PolarHBondContact O-N 2.73Å; E32-K34 VanDerWaalsContact C-N 3.33Å; E32-K34 WeakPolarHBondContact OE1-CE 3.49Å; K34-M36 PolarHBondContact O-N 2.78Å |
| 35 | I | 73.2 | Confident | 65.4 | Low | 145 Ų | 145 | 113.9 Ų | 113.9 | 74% | 0.744 | 68% | 0.678 | S | S | * | * | | | trans | -52.4 | 123 | 169.6 | -60.7 | 165 | 0 | 0 | 0 | 106.5 | H33 V37 | H33-I35 VanDerWaalsContact C-N 3.31Å; H33-I35 PolarHBondContact O-N 2.9Å; I35-V37 PolarHBondContact O-N 2.73Å |
| 36 | M | 73.6 | Confident | 66.2 | Low | 158 Ų | 158 | 119 Ų | 119 | 78% | 0.778 | 68% | 0.683 | S | S | * | * | | | trans | -72.4 | 93.9 | -176.3 | -158.5 | -177.1 | -33.3 | 0 | 0 | 108.8 | K34 G38 | K34-M36 PolarHBondContact O-N 2.78Å; M36-G38 PolarHBondContact O-N 2.83Å |
| 37 | V | 77.4 | Confident | 66.9 | Low | 140 Ų | 140 | 120.5 Ų | 120.5 | 85% | 0.848 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 115.3 | 177.2 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | I35 | I35-V37 PolarHBondContact O-N 2.73Š|
| 38 | G | 70.8 | Confident | 67.7 | Low | 63 Ų | 63 | 118.8 Ų | 118.8 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.4 | 15.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | M36 T40 | M36-G38 PolarHBondContact O-N 2.83Å; G38-T40 PolarHBondContact O-N 2.73Å |
| 39 | S | 64.5 | Low | 68.6 | Low | 91 Ų | 91 | 121.6 Ų | 121.6 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | | | trans | -72.2 | 72.5 | 162.4 | 65.1 | 0 | 0 | 0 | 0 | 109 | D41 | S39-D41 PolarHBondContact O-N 3.01Š|
| 40 | T | 68.5 | Low | 69 | Low | 106 Ų | 106 | 122.4 Ų | 122.4 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | | | trans | -66.4 | 101.5 | 173.2 | -78.9 | 0 | 0 | 0 | 0 | 107.6 | G38 D42 | G38-T40 PolarHBondContact O-N 2.73Å; T40-D42 HydrophobicContact CG2-CB 3.26Å; T40-D42 VanDerWaalsContact O-N 3.15Å; T40-D42 PolarHBondContact O-N 2.99Å |
| 41 | D | 68.4 | Low | 69.1 | Low | 158 Ų | 158 | 125 Ų | 125 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | | | trans | -78.6 | 42.3 | 164.7 | -117.1 | -57.9 | 0 | 0 | 0 | 109.2 | S39 P43 | S39-D41 PolarHBondContact O-N 3.01Å; D41-P43 WeakPolarHBondContact O-CD 3.07Å |
| 42 | D | 73.4 | Confident | 68.6 | Low | 70 Ų | 70 | 125.2 Ų | 125.2 | 37% | 0.374 | 70% | 0.699 | S | S | . | * | | | trans | -80.3 | 108 | 178.2 | -176.8 | 3.1 | 0 | 0 | 0 | 108.4 | T40 S44 V45 | T40-D42 HydrophobicContact CG2-CB 3.26Å; T40-D42 VanDerWaalsContact O-N 3.15Å; T40-D42 PolarHBondContact O-N 2.99Å; D42-S44 PolarHBondContact O-N 2.78Å; D42-S44 WeakPolarHBondContact OD1-CB 3.31Å; D42-S44 PolarHBondContact OD1-N 3.01Å; D42-S44 PolarHBondContact OD1-OG 3.06Å; D42-V45 HydrophobicContact CB-CG1 4.44Å; D42-V45 PolarHBondContact O-N 2.83Å; D42-V45 WeakPolarHBondContact O-CG2 3.48Å; D42-V45 VanDerWaalsContact O-CG2 3.31Å; D42-V45 WeakPolarHBondContact O-CG1 3.1Å |
| 43 | P | 68.7 | Low | 68.2 | Low | 106 Ų | 106 | 126.9 Ų | 126.9 | 69% | 0.688 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -63.6 | -15.2 | 179 | 29.5 | -36.6 | 0 | 0 | 0 | 112.3 | D41 V45 F46 | D41-P43 WeakPolarHBondContact O-CD 3.07Å; P43-V45 PolarHBondContact O-N 2.71Å; P43-F46 PolarHBondContact O-N 2.85Å |
| 44 | S | 67.1 | Low | 68 | Low | 65 Ų | 65 | 125.3 Ų | 125.3 | 46% | 0.455 | 72% | 0.721 | S | S | . | * | G | 310 helix | trans | -70.2 | -12.1 | 179.6 | -38.1 | 0 | 0 | 0 | 0 | 113.3 | D42 F46 S47 | D42-S44 PolarHBondContact O-N 2.78Å; D42-S44 WeakPolarHBondContact OD1-CB 3.31Å; D42-S44 PolarHBondContact OD1-N 3.01Å; D42-S44 PolarHBondContact OD1-OG 3.06Å; S44-F46 PolarHBondContact O-N 3.04Å; S44-S47 VanDerWaalsContact O-CB 3.29Å; S44-S47 WeakPolarHBondContact O-CB 3.28Å; S44-S47 PolarHBondContact O-N 2.66Å; S44-S47 PolarHBondContact O-OG 2.77Å |
| 45 | V | 66.8 | Low | 67.6 | Low | 99 Ų | 99 | 123.5 Ų | 123.5 | 60% | 0.6 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -64.3 | -20.2 | 172.6 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | D42 P43 | D42-V45 HydrophobicContact CB-CG1 4.44Å; D42-V45 PolarHBondContact O-N 2.83Å; D42-V45 WeakPolarHBondContact O-CG2 3.48Å; D42-V45 VanDerWaalsContact O-CG2 3.31Å; D42-V45 WeakPolarHBondContact O-CG1 3.1Å; P43-V45 PolarHBondContact O-N 2.71Å |
| 46 | F | 69.1 | Low | 67.3 | Low | 173 Ų | 173 | 122.3 Ų | 122.3 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -103.5 | 11.9 | 174.7 | -60.3 | -75 | 0 | 0 | 0 | 113 | P43 S44 L48 | P43-F46 PolarHBondContact O-N 2.85Å; S44-F46 PolarHBondContact O-N 3.04Å; F46-L48 VanDerWaalsContact C-N 3.35Å; F46-L48 PolarHBondContact O-N 2.8Å |
| 47 | S | 69.4 | Low | 67 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | | | trans | -61.2 | 102 | 169.3 | -67.4 | 0 | 0 | 0 | 0 | 108.1 | S44 | S44-S47 VanDerWaalsContact O-CB 3.29Å; S44-S47 WeakPolarHBondContact O-CB 3.28Å; S44-S47 PolarHBondContact O-N 2.66Å; S44-S47 PolarHBondContact O-OG 2.77Å |
| 48 | L | 69.2 | Low | 66.3 | Low | 147 Ų | 147 | 119 Ų | 119 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | | | trans | -57.6 | 139.8 | 169.2 | -74.5 | 113.3 | 0 | 0 | 0 | 107.6 | F46 D50 | F46-L48 VanDerWaalsContact C-N 3.35Å; F46-L48 PolarHBondContact O-N 2.8Å; L48-D50 PolarHBondContact O-N 3.13Å; L48-D50 VanDerWaalsContact O-N 3.1Å |
| 49 | P | 71.3 | Confident | 66 | Low | 114 Ų | 114 | 122.7 Ų | 122.7 | 74% | 0.74 | 71% | 0.714 | S | S | * | * | | | trans | -52.2 | 126.7 | 173.3 | 23.2 | -32.2 | 0 | 0 | 0 | 107.4 | S51 | P49-S51 PolarHBondContact O-N 2.92Š|
| 50 | D | 64.2 | Low | 66.1 | Low | 157 Ų | 157 | 125 Ų | 125 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | | | trans | -39.6 | 109.1 | 175.3 | -96.5 | -72.8 | 0 | 0 | 0 | 108 | L48 K52 | L48-D50 PolarHBondContact O-N 3.13Å; L48-D50 VanDerWaalsContact O-N 3.1Å; D50-K52 PolarHBondContact O-N 3.1Å |
| 51 | S | 61.5 | Low | 65.9 | Low | 123 Ų | 123 | 126.5 Ų | 126.5 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | | | trans | -72.5 | 87.1 | 175.5 | -69.7 | 0 | 0 | 0 | 0 | 106.3 | P49 | P49-S51 PolarHBondContact O-N 2.92Š|
| 52 | K | 51.2 | Low | 65.7 | Low | 165 Ų | 165 | 123.8 Ų | 123.8 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | | | trans | -126.1 | 124.1 | 172.9 | -164.7 | 168.5 | 179.6 | 57.2 | 0 | 107.9 | D50 | D50-K52 PolarHBondContact O-N 3.1Š|
| 53 | P | 56.8 | Low | 65 | Low | 177 Ų | 177 | 128.7 Ų | 128.7 | 100% | 1.149 | 75% | 0.746 | S | S | * | * | | | | -91.3 | 0 | 64.7 | -17.6 | 33.4 | 0 | 0 | 0 | 117.2 | | |