| 1 | M | 60.5 | Low | 76.7 | Confident | 215 Ų | 215 | 124.8 Ų | 124.8 | 100% | 1.059 | 63% | 0.633 | S | S | * | * | | | | 0 | 51.8 | 0 | -71.4 | 173.8 | -71 | 0 | 0 | 111.8 | | |
| 2 | V | 55.7 | Low | 76.7 | Confident | 120 Ų | 120 | 121.2 Ų | 121.2 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | | | trans | -95.6 | -19.9 | -177.4 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | S4 S5 L6 | V2-S4 PolarHBondContact O-N 3.28Å; V2-S5 PolarHBondContact O-N 2.95Å; V2-L6 PolarHBondContact O-N 3.13Å |
| 3 | K | 78.3 | Confident | 76.3 | Confident | 175 Ų | 175 | 123 Ų | 123 | 76% | 0.761 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.3 | -37.6 | -179.3 | -177 | 178.4 | 161.4 | -178 | 0 | 113.6 | Q7 | K3-Q7 WeakPolarHBondContact O-CB 3.3Å; K3-Q7 PolarHBondContact O-N 3.38Å; K3-Q7 VanDerWaalsContact O-N 3.13Å |
| 4 | S | 81.9 | Confident | 75.5 | Confident | 65 Ų | 65 | 122.3 Ų | 122.3 | 46% | 0.455 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -75.4 | -35.2 | -179.1 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | V2 R8 | V2-S4 PolarHBondContact O-N 3.28Å; S4-R8 WeakPolarHBondContact O-CB 3.49Å; S4-R8 VanDerWaalsContact O-CG 3.24Å; S4-R8 WeakPolarHBondContact O-CG 3.17Å; S4-R8 PolarHBondContact O-N 3.41Å |
| 5 | S | 77.1 | Confident | 74.3 | Confident | 65 Ų | 65 | 125.3 Ų | 125.3 | 46% | 0.455 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69.2 | -46.5 | 178.8 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | V2 Q7 R8 I9 | V2-S5 PolarHBondContact O-N 2.95Å; S5-Q7 PolarHBondContact O-N 2.81Å; S5-Q7 VanDerWaalsContact C-N 3.31Å; S5-R8 PolarHBondContact O-N 3.2Å; S5-I9 WeakPolarHBondContact O-CG1 3.34Å; S5-I9 PolarHBondContact O-N 3.34Å; S5-I9 VanDerWaalsContact O-N 3.13Å |
| 6 | L | 81.8 | Confident | 73.6 | Confident | 109 Ų | 109 | 123.3 Ų | 123.3 | 57% | 0.571 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -60.3 | -43.5 | 174.4 | -166.3 | 98.6 | 0 | 0 | 0 | 111.1 | V2 R8 I9 L10 | V2-L6 PolarHBondContact O-N 3.13Å; L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 2.91Å; L6-I9 PolarHBondContact O-N 2.92Å; L6-L10 PolarHBondContact O-N 3.35Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 HydrophobicContact CD2-CD1 3.85Å; L6-L10 HydrophobicContact CG-CD1 4.01Å |
| 7 | Q | 84.8 | Confident | 72.9 | Confident | 100 Ų | 100 | 128.4 Ų | 128.4 | 47% | 0.467 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -63.1 | -36.8 | 177.5 | -176.6 | 170.3 | 39.6 | 0 | 0 | 112.4 | K3 S5 N11 | K3-Q7 WeakPolarHBondContact O-CB 3.3Å; K3-Q7 PolarHBondContact O-N 3.38Å; K3-Q7 VanDerWaalsContact O-N 3.13Å; S5-Q7 PolarHBondContact O-N 2.81Å; S5-Q7 VanDerWaalsContact C-N 3.31Å; Q7-N11 VanDerWaalsContact CG-ND2 3.34Å; Q7-N11 WeakPolarHBondContact CG-ND2 3.46Å; Q7-N11 WeakPolarHBondContact O-CB 3.24Å; Q7-N11 PolarHBondContact O-N 3.26Å |
| 8 | R | 83.6 | Confident | 72.2 | Confident | 192 Ų | 192 | 132.1 Ų | 132.1 | 73% | 0.725 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.4 | -42.5 | 175.1 | -78.4 | 173.4 | 66.5 | 178.2 | 1.7 | 112.1 | S4 S5 L6 S12 | S4-R8 WeakPolarHBondContact O-CB 3.49Å; S4-R8 VanDerWaalsContact O-CG 3.24Å; S4-R8 WeakPolarHBondContact O-CG 3.17Å; S4-R8 PolarHBondContact O-N 3.41Å; S5-R8 PolarHBondContact O-N 3.2Å; L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 2.91Å; R8-S12 WeakPolarHBondContact O-CB 3.34Å; R8-S12 PolarHBondContact O-N 3Å; R8-S12 PolarHBondContact O-OG 3.26Å |
| 9 | I | 83.7 | Confident | 71.6 | Confident | 110 Ų | 110 | 133.5 Ų | 133.5 | 56% | 0.564 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.4 | -42.1 | -179.7 | -64.8 | 163.9 | 0 | 0 | 0 | 110.9 | S5 L6 S12 | S5-I9 WeakPolarHBondContact O-CG1 3.34Å; S5-I9 PolarHBondContact O-N 3.34Å; S5-I9 VanDerWaalsContact O-N 3.13Å; L6-I9 PolarHBondContact O-N 2.92Å; I9-S12 PolarHBondContact O-OG 3.13Å; I9-S12 VanDerWaalsContact O-OG 3.06Å |
| 10 | L | 83.1 | Confident | 70.9 | Confident | 107 Ų | 107 | 134.7 Ų | 134.7 | 56% | 0.56 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -72.8 | -43.3 | 178.4 | -65.2 | 174 | 0 | 0 | 0 | 111.9 | L6 S12 H13 | L6-L10 PolarHBondContact O-N 3.35Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 HydrophobicContact CD2-CD1 3.85Å; L6-L10 HydrophobicContact CG-CD1 4.01Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.42Å; L10-H13 PolarHBondContact O-N 3.46Å |
| 11 | N | 72.7 | Confident | 70.2 | Confident | 115 Ų | 115 | 132.2 Ų | 132.2 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.2 | -27.3 | 178 | -75.2 | -9.5 | 0 | 0 | 0 | 112.9 | Q7 H13 | Q7-N11 VanDerWaalsContact CG-ND2 3.34Å; Q7-N11 WeakPolarHBondContact CG-ND2 3.46Å; Q7-N11 WeakPolarHBondContact O-CB 3.24Å; Q7-N11 PolarHBondContact O-N 3.26Å; N11-H13 PolarHBondContact O-N 3.45Å |
| 12 | S | 77.8 | Confident | 70.1 | Confident | 81 Ų | 81 | 129 Ų | 129 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -2.1 | 176.3 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | R8 I9 L10 C14 | R8-S12 WeakPolarHBondContact O-CB 3.34Å; R8-S12 PolarHBondContact O-N 3Å; R8-S12 PolarHBondContact O-OG 3.26Å; I9-S12 PolarHBondContact O-OG 3.13Å; I9-S12 VanDerWaalsContact O-OG 3.06Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.42Å; S12-C14 PolarHBondContact O-N 2.84Å; S12-C14 VanDerWaalsContact O-N 3.16Å |
| 13 | H | 71.3 | Confident | 70.1 | Confident | 145 Ų | 145 | 131.9 Ų | 131.9 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 34.9 | 63.1 | 178.4 | -92 | -66.5 | 0 | 0 | 0 | 112.9 | L10 N11 F15 | L10-H13 PolarHBondContact O-N 3.46Å; N11-H13 PolarHBondContact O-N 3.45Å; H13-F15 PolarHBondContact O-N 3.07Å |
| 14 | C | 65.3 | Low | 69.2 | Low | 113 Ų | 113 | 128.5 Ų | 128.5 | 76% | 0.764 | 67% | 0.673 | S | S | * | * | | | trans | -78.6 | 53.8 | 166.4 | -165 | 0 | 0 | 0 | 0 | 109.6 | S12 A16 | S12-C14 PolarHBondContact O-N 2.84Å; S12-C14 VanDerWaalsContact O-N 3.16Å; C14-A16 VanDerWaalsContact C-N 3.32Å; C14-A16 PolarHBondContact O-N 3.36Å |
| 15 | F | 57 | Low | 67.5 | Low | 168 Ų | 168 | 130.9 Ų | 130.9 | 74% | 0.737 | 69% | 0.69 | S | S | * | * | | | trans | -90.1 | 83.9 | 160.9 | -94.5 | -89.3 | 0 | 0 | 0 | 105.7 | H13 R17 | H13-F15 PolarHBondContact O-N 3.07Å; F15-R17 PolarHBondContact O-N 3.17Å |
| 16 | A | 63.3 | Low | 66.4 | Low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | | | trans | -65.2 | 82.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | C14 E18 | C14-A16 VanDerWaalsContact C-N 3.32Å; C14-A16 PolarHBondContact O-N 3.36Å; A16-E18 PolarHBondContact O-N 2.87Å |
| 17 | R | 60.8 | Low | 65.1 | Low | 211 Ų | 211 | 132.3 Ų | 132.3 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | | | trans | -61.7 | 95.8 | 158 | -77.7 | 178.7 | 69.6 | 179.3 | 1.9 | 104.7 | F15 K19 | F15-R17 PolarHBondContact O-N 3.17Å; R17-K19 PolarHBondContact O-N 3.26Å |
| 18 | E | 60.7 | Low | 63.7 | Low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 73% | 0.726 | S | S | * | * | | | trans | -54.2 | 88.7 | 156.4 | -178.4 | 177.5 | 88 | 0 | 0 | 106.3 | A16 E20 | A16-E18 PolarHBondContact O-N 2.87Å; E18-E20 PolarHBondContact O-N 3.29Å |
| 19 | K | 60.3 | Low | 61.8 | Low | 159 Ų | 159 | 134.3 Ų | 134.3 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | | | trans | -83.6 | 96.8 | 177.1 | -179.7 | 176.4 | 178.6 | -71.8 | 0 | 107.2 | R17 | R17-K19 PolarHBondContact O-N 3.26Š|
| 20 | E | 57.8 | Low | 60.4 | Low | 158 Ų | 158 | 133.6 Ų | 133.6 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | | 59.9 | 77.2 | 122.8 | -156.4 | 172.7 | -158.5 | 0 | 0 | 114.6 | E18 | E18-E20 PolarHBondContact O-N 3.29Š|
| 21 | G | 56.5 | Low | 59 | Low | 82 Ų | 82 | 132.7 Ų | 132.7 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | | | trans | -123.9 | 31.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 22 | D | 58.5 | Low | 58.3 | Low | 148 Ų | 148 | 138.7 Ų | 138.7 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -112 | 80.6 | 166.3 | -146.4 | -41 | 0 | 0 | 0 | 109.1 | | |
| 23 | K | 56.2 | Low | 57.2 | Low | 181 Ų | 181 | 141 Ų | 141 | 79% | 0.787 | 77% | 0.768 | S | S | * | * | | | trans | -98.5 | 118.9 | 158.2 | -77 | 170.8 | 176.2 | 175.9 | 0 | 106.1 | S25 | K23-S25 PolarHBondContact O-N 2.92Š|
| 24 | P | 58.1 | Low | 56.5 | Low | 104 Ų | 104 | 142 Ų | 142 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | trans | -68.7 | 81.9 | 144.5 | 30.4 | -30.7 | 0 | 0 | 0 | 106.3 | A26 | P24-A26 PolarHBondContact O-N 3.06Š|
| 25 | S | 46.9 | Very low | 55.8 | Low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -74.2 | 54.2 | 165.6 | -172 | 0 | 0 | 0 | 0 | 109.2 | K23 | K23-S25 PolarHBondContact O-N 2.92Š|
| 26 | A | 55.3 | Low | 55.9 | Low | 88 Ų | 88 | 141.1 Ų | 141.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -128.1 | 55.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | P24 | P24-A26 PolarHBondContact O-N 3.06Š|
| 27 | T | 53.6 | Low | 55.6 | Low | 116 Ų | 116 | 144 Ų | 144 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | | | trans | -149.8 | 76.4 | 166.5 | -56.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 28 | I | 56.2 | Low | 55.3 | Low | 156 Ų | 156 | 139.9 Ų | 139.9 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | -156.3 | 64.7 | 132.5 | -45.6 | -173.1 | 0 | 0 | 0 | 108.5 | | |
| 29 | H | 43.6 | Very low | 55 | Low | 177 Ų | 177 | 137.9 Ų | 137.9 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | | | trans | -132 | 57 | 145.1 | -82.5 | -65.1 | 0 | 0 | 0 | 107.5 | S31 | H29-S31 PolarHBondContact O-N 3.47Š|
| 30 | A | 53.6 | Low | 54.6 | Low | 96 Ų | 96 | 137.8 Ų | 137.8 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -70.3 | 58.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | R32 | A30-R32 PolarHBondContact O-N 2.91Š|
| 31 | S | 53 | Low | 54.1 | Low | 88 Ų | 88 | 135.9 Ų | 135.9 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | | | trans | -78.2 | 81.5 | 165.2 | -61.2 | 0 | 0 | 0 | 0 | 106.7 | H29 T33 | H29-S31 PolarHBondContact O-N 3.47Å; S31-T33 PolarHBondContact O-N 3.25Å |
| 32 | R | 59.3 | Low | 54 | Low | 241 Ų | 241 | 144 Ų | 144 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 41.5 | 72.8 | 145.6 | -59.5 | 178.8 | 172.9 | -176.2 | -3 | 116.5 | A30 | A30-R32 PolarHBondContact O-N 2.91Š|
| 33 | T | 53.9 | Low | 53.6 | Low | 129 Ų | 129 | 141 Ų | 141 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -141.5 | 104.5 | 148.7 | -56.3 | 0 | 0 | 0 | 0 | 107.4 | S31 P35 | S31-T33 PolarHBondContact O-N 3.25Å; T33-P35 VanDerWaalsContact O-CD 3.26Å; T33-P35 WeakPolarHBondContact O-CD 3.07Å |
| 34 | M | 56.1 | Low | 52.9 | Low | 167 Ų | 167 | 135.9 Ų | 135.9 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | | | trans | -64.1 | 121.3 | 169.5 | -72 | -102 | -64.9 | 0 | 0 | 109.1 | | |
| 35 | P | 51.8 | Low | 52.8 | Low | 127 Ų | 127 | 137.1 Ų | 137.1 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -88.9 | 106.7 | 156.3 | 23.1 | -7 | 0 | 0 | 0 | 107.7 | T33 | T33-P35 VanDerWaalsContact O-CD 3.26Å; T33-P35 WeakPolarHBondContact O-CD 3.07Å |
| 36 | L | 58 | Low | 52.8 | Low | 134 Ų | 134 | 136.5 Ų | 136.5 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | | | trans | -43 | 141.9 | 163.7 | -76.4 | 164 | 0 | 0 | 0 | 112.2 | | |
| 37 | L | 58.4 | Low | 52.7 | Low | 154 Ų | 154 | 136.9 Ų | 136.9 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | trans | 49.4 | 89.7 | 140.3 | -58.6 | 168.7 | 0 | 0 | 0 | 116.4 | | |
| 38 | S | 53.7 | Low | 52.4 | Low | 124 Ų | 124 | 139.2 Ų | 139.2 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | | | trans | -156.7 | 61.7 | 148.9 | -80.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 39 | L | 54.3 | Low | 52.1 | Low | 151 Ų | 151 | 142.4 Ų | 142.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -69.6 | 126.5 | 146.2 | -131.5 | 72.4 | 0 | 0 | 0 | 105.7 | | |
| 40 | H | 52.3 | Low | 52 | Low | 157 Ų | 157 | 144.5 Ų | 144.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | 100 | 99.8 | 163.1 | -49.4 | -172 | 0 | 0 | 0 | 116.4 | | |
| 41 | S | 47.1 | Very low | 51.9 | Low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | | 176.8 | 111.1 | 117 | -78.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 42 | R | 53.2 | Low | 51.4 | Low | 252 Ų | 252 | 146.4 Ų | 146.4 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | | | | 56.5 | 110.1 | 124.6 | -150.3 | 174.5 | -173.8 | -163.9 | 1.4 | 118.3 | | |
| 43 | G | 51.5 | Low | 50.8 | Low | 85 Ų | 85 | 139.9 Ų | 139.9 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | trans | 118.5 | 106.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 44 | G | 42.1 | Very low | 50.6 | Low | 74 Ų | 74 | 138.6 Ų | 138.6 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | trans | 173.6 | 53.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S46 | G44-S46 PolarHBondContact O-N 3.16Š|
| 45 | S | 54.9 | Low | 50.3 | Low | 129 Ų | 129 | 134.8 Ų | 134.8 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -65.9 | 88.3 | 161.2 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 46 | S | 46.8 | Very low | 49.7 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -95.6 | 101.8 | 168.9 | -164.8 | 0 | 0 | 0 | 0 | 109.1 | G44 E48 | G44-S46 PolarHBondContact O-N 3.16Å; S46-E48 PolarHBondContact O-N 2.82Å |
| 47 | S | 54.4 | Low | 49.1 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | trans | -65 | 103.5 | 169.9 | 156 | 0 | 0 | 0 | 0 | 109.8 | | |
| 48 | E | 46.9 | Very low | 48.3 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | trans | -106.8 | 77.8 | 159.2 | -64.1 | -165.8 | 127.8 | 0 | 0 | 109.2 | S46 W50 | S46-E48 PolarHBondContact O-N 2.82Å; E48-W50 PolarHBondContact O-N 2.87Å; E48-W50 VanDerWaalsContact O-N 3.16Å |
| 49 | R | 49.7 | Very low | 47.8 | Very low | 222 Ų | 222 | 143.1 Ų | 143.1 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -69.1 | 94.1 | 168.3 | -172.6 | -176.6 | -143 | -120.9 | 4.6 | 108.7 | | |
| 50 | W | 41.5 | Very low | 47.5 | Very low | 221 Ų | 221 | 140.1 Ų | 140.1 | 84% | 0.837 | 78% | 0.778 | S | S | * | * | | | trans | -104.8 | 108.8 | 163.1 | -72.8 | 49.9 | 0 | 0 | 0 | 107.1 | E48 V52 | E48-W50 PolarHBondContact O-N 2.87Å; E48-W50 VanDerWaalsContact O-N 3.16Å; W50-V52 PolarHBondContact O-N 2.8Å; W50-V52 VanDerWaalsContact O-N 3.07Å |
| 51 | P | 50.3 | Low | 47.3 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | | | trans | -64.4 | 116.4 | 173 | 23.8 | -27.4 | 0 | 0 | 0 | 107.8 | S53 | P51-S53 PolarHBondContact O-N 3.41Š|
| 52 | V | 43.4 | Very low | 47.3 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | trans | -59 | 94 | 159.2 | 77.9 | 0 | 0 | 0 | 0 | 105.9 | W50 T54 | W50-V52 PolarHBondContact O-N 2.8Å; W50-V52 VanDerWaalsContact O-N 3.07Å; V52-T54 HydrophobicContact CG2-CG2 4.26Å; V52-T54 PolarHBondContact O-N 2.9Å; V52-T54 PolarHBondContact O-OG1 3.16Å |
| 53 | S | 46.1 | Very low | 46.8 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -73.9 | 63.9 | 167.5 | -72.5 | 0 | 0 | 0 | 0 | 107.8 | P51 A55 | P51-S53 PolarHBondContact O-N 3.41Å; S53-A55 PolarHBondContact O-N 2.93Å |
| 54 | T | 51.3 | Low | 46.5 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | | | trans | -66.4 | 74 | 154.3 | 25.7 | 0 | 0 | 0 | 0 | 107.3 | V52 W56 | V52-T54 HydrophobicContact CG2-CG2 4.26Å; V52-T54 PolarHBondContact O-N 2.9Å; V52-T54 PolarHBondContact O-OG1 3.16Å; T54-W56 PolarHBondContact O-N 3.31Å |
| 55 | A | 48.4 | Very low | 47.2 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -72 | 80 | 163 | 0 | 0 | 0 | 0 | 0 | 108.2 | S53 | S53-A55 PolarHBondContact O-N 2.93Š|
| 56 | W | 40.6 | Very low | 46.9 | Very low | 230 Ų | 230 | 137.4 Ų | 137.4 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | | | trans | 49.8 | 85.7 | 137.5 | -54.3 | -3.2 | 0 | 0 | 0 | 117.6 | T54 | T54-W56 PolarHBondContact O-N 3.31Š|
| 57 | C | 44.4 | Very low | 47.1 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 93% | 0.932 | 77% | 0.773 | S | S | * | * | | | trans | -102.3 | 62.9 | 143.8 | -74.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 58 | T | 42 | Very low | 46.7 | Very low | 109 Ų | 109 | 143 Ų | 143 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | trans | -105.1 | 89 | 163.4 | -40.7 | 0 | 0 | 0 | 0 | 107 | S60 | T58-S60 PolarHBondContact O-N 3.21Å; T58-S60 WeakPolarHBondContact CG2-OG 3.17Å |
| 59 | W | 42.5 | Very low | 46.6 | Very low | 238 Ų | 238 | 144.6 Ų | 144.6 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | -64.5 | 95 | 157.5 | 171.4 | -88.2 | 0 | 0 | 0 | 106.7 | | |
| 60 | S | 47.7 | Very low | 46.4 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 122.4 | 165.4 | -65.7 | 0 | 0 | 0 | 0 | 107.9 | T58 R62 | T58-S60 PolarHBondContact O-N 3.21Å; T58-S60 WeakPolarHBondContact CG2-OG 3.17Å; S60-R62 PolarHBondContact O-N 2.78Å |
| 61 | P | 49.6 | Very low | 46.5 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62 | 128.3 | 166.5 | -3.9 | 14.5 | 0 | 0 | 0 | 108.9 | P63 | P61-P63 VanDerWaalsContact O-CD 3.3Å; P61-P63 WeakPolarHBondContact O-CD 3.26Å |
| 62 | R | 45.3 | Very low | 46.2 | Very low | 247 Ų | 247 | 135.3 Ų | 135.3 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 123.1 | 174.2 | -95.2 | -177.9 | 174.7 | -120.8 | 1.6 | 110.2 | S60 | S60-R62 PolarHBondContact O-N 2.78Š|
| 63 | P | 44.5 | Very low | 46.1 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 132.8 | 167.7 | -4.4 | 22.4 | 0 | 0 | 0 | 110.4 | P61 | P61-P63 VanDerWaalsContact O-CD 3.3Å; P61-P63 WeakPolarHBondContact O-CD 3.26Å |
| 64 | G | 43.8 | Very low | 46 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | 86.3 | 103.3 | 150 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 65 | A | 56.2 | Low | 45.3 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 131.9 | 158 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 66 | P | 49.6 | Very low | 44.9 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 125.8 | 159.8 | 28.3 | -27.4 | 0 | 0 | 0 | 110.4 | A68 | P66-A68 PolarHBondContact O-N 2.87Š|
| 67 | K | 50 | Low | 44.9 | Very low | 216 Ų | 216 | 137.1 Ų | 137.1 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 119 | 166.5 | -81.9 | 177.6 | 172.2 | 175 | 0 | 109.5 | | |
| 68 | A | 47.3 | Very low | 44.6 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 128.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P66 | P66-A68 PolarHBondContact O-N 2.87Š|
| 69 | K | 44.1 | Very low | 44.5 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 139 | -175.4 | -78.1 | 165.4 | 167.1 | 176 | 0 | 113.3 | T71 | K69-T71 PolarHBondContact O-N 2.81Š|
| 70 | T | 45.3 | Very low | 45 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 123.2 | 155.8 | -54.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 71 | T | 43.8 | Very low | 44.8 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | | | trans | -142 | 114.7 | 152.1 | -49.2 | 0 | 0 | 0 | 0 | 106.9 | K69 | K69-T71 PolarHBondContact O-N 2.81Š|
| 72 | A | 44.7 | Very low | 44.2 | Very low | 82 Ų | 82 | 136.1 Ų | 136.1 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | | | trans | -73.3 | 151.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 73 | S | 41.2 | Very low | 44.3 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | 169.4 | 90 | 149.1 | -72.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 74 | S | 44.4 | Very low | 44.4 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | | 78.2 | 128.6 | 89.4 | 70.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 75 | T | 36.6 | Very low | 44.7 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 71% | 0.712 | 81% | 0.805 | S | S | * | * | | | trans | 116.7 | 115.1 | 134.1 | -52.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 76 | T | 39.8 | Very low | 43.9 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | 66.6 | 119.2 | 150.2 | 47.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 77 | R | 40.2 | Very low | 43.8 | Very low | 228 Ų | 228 | 138.1 Ų | 138.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | | 97.5 | 128.4 | 60.9 | -173.2 | -179.3 | 179.4 | -139.5 | 0.8 | 111 | | |
| 78 | S | 37 | Very low | 43.7 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | | | trans | 70.8 | 135.5 | 168.2 | 69.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 79 | G | 40.1 | Very low | 43.5 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | cis | -176 | -171.6 | 8.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 80 | P | 53.3 | Low | 43.5 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | -106.8 | 176.4 | -160.6 | 36.8 | -26.4 | 0 | 0 | 0 | 115.8 | | |
| 81 | I | 44.1 | Very low | 43.5 | Very low | 139 Ų | 139 | 139 Ų | 139 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | 84.2 | 114.4 | 159.5 | -41.9 | 173.8 | 0 | 0 | 0 | 116.4 | | |
| 82 | F | 37.6 | Very low | 43.1 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | | -175.7 | 132.1 | 108.8 | -110.6 | -87 | 0 | 0 | 0 | 112 | | |
| 83 | R | 46.6 | Very low | 42.9 | Very low | 234 Ų | 234 | 139.9 Ų | 139.9 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -65.2 | 134.3 | 168.1 | -70.7 | 172.9 | 164.9 | -159.4 | -3.2 | 109.2 | | |
| 84 | T | 46.9 | Very low | 42.8 | Very low | 132 Ų | 132 | 140 Ų | 140 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -132.8 | 100.6 | 154.3 | 39.5 | 0 | 0 | 0 | 0 | 108.9 | S86 | T84-S86 PolarHBondContact O-N 2.88Š|
| 85 | T | 49.2 | Very low | 42.7 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | trans | -58.7 | 115.3 | 157 | 41.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 86 | S | 40.7 | Very low | 43.2 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | trans | -131.6 | 99 | 164.1 | -170.4 | 0 | 0 | 0 | 0 | 108.6 | T84 R88 | T84-S86 PolarHBondContact O-N 2.88Å; S86-R88 PolarHBondContact O-N 3.35Å |
| 87 | A | 46.6 | Very low | 43 | Very low | 93 Ų | 93 | 139 Ų | 139 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -59.1 | 109 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 88 | R | 47.4 | Very low | 43.4 | Very low | 238 Ų | 238 | 138.9 Ų | 138.9 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | | | trans | -97.6 | 83.7 | 157.4 | -73.5 | -170.4 | 177.9 | -147 | 0.6 | 107.9 | S86 | S86-R88 PolarHBondContact O-N 3.35Š|
| 89 | H | 44.9 | Very low | 43.9 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.787 | 81% | 0.805 | S | S | * | * | | | trans | -63.4 | 161.6 | 152.6 | -121 | -116.2 | 0 | 0 | 0 | 109.5 | | |
| 90 | L | 44 | Very low | 44.7 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | | | trans | 95.9 | 118.2 | 177 | -52.9 | 146.6 | 0 | 0 | 0 | 112 | | |
| 91 | S | 44.2 | Very low | 43.9 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | | | cis | -165.4 | 108.6 | 12.9 | 170.7 | 0 | 0 | 0 | 0 | 108.1 | S93 | S91-S93 PolarHBondContact O-N 3.42Š|
| 92 | C | 36.2 | Very low | 43.8 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | -77.6 | 104.8 | 161.8 | -75.8 | 0 | 0 | 0 | 0 | 107.4 | C94 | C92-C94 PolarHBondContact O-N 3.26Š|
| 93 | S | 39.5 | Very low | 44.6 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -70 | 78.6 | 167.9 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | S91 A95 | S91-S93 PolarHBondContact O-N 3.42Å; S93-A95 PolarHBondContact O-N 3.28Å |
| 94 | C | 39 | Very low | 44.5 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | | | trans | -83.8 | 93.7 | 161.9 | -56.4 | 0 | 0 | 0 | 0 | 106.7 | C92 T96 | C92-C94 PolarHBondContact O-N 3.26Å; C94-T96 PolarHBondContact O-N 3.43Å |
| 95 | A | 42.6 | Very low | 44.7 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -60.7 | 107.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | S93 | S93-A95 PolarHBondContact O-N 3.28Š|
| 96 | T | 48.1 | Very low | 44.9 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | trans | -15.7 | 125 | 161 | 32.3 | 0 | 0 | 0 | 0 | 117.2 | C94 | C94-T96 PolarHBondContact O-N 3.43Š|
| 97 | G | 35.1 | Very low | 45.5 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -170.6 | 62.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 98 | R | 47.5 | Very low | 45.7 | Very low | 224 Ų | 224 | 132.4 Ų | 132.4 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -118.5 | 150.6 | 164.1 | -92.4 | -170.8 | 173.6 | -140.6 | -0.9 | 108.5 | | |
| 99 | P | 48.1 | Very low | 46.5 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | -133.1 | 171 | 101.1 | 31.1 | -14.9 | 0 | 0 | 0 | 113.5 | | |
| 100 | P | 57.8 | Low | 47 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | | | trans | -93.6 | 148.2 | -158.3 | 36.6 | -29.7 | 0 | 0 | 0 | 111.4 | | |
| 101 | C | 36.7 | Very low | 47.4 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | -150.9 | 108.9 | 161 | -89.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 102 | S | 41.6 | Very low | 47.7 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | 66.3 | 103.1 | 135.6 | -45.3 | 0 | 0 | 0 | 0 | 119 | | |
| 103 | A | 53.4 | Low | 48.2 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -63.8 | 144.2 | 146.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 104 | P | 44.8 | Very low | 48.9 | Very low | 124 Ų | 124 | 122 Ų | 122 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | trans | -115.9 | 141.7 | 145.9 | 10 | 10 | 0 | 0 | 0 | 111.7 | | |
| 105 | Q | 51.9 | Low | 49.6 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -59.6 | 166.5 | 179 | -79.3 | -123.1 | -5.8 | 0 | 0 | 115.4 | T107 | Q105-T107 PolarHBondContact O-N 3.33Š|
| 106 | P | 51.8 | Low | 50.2 | Low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -70.4 | 122.5 | 176.5 | 30 | -34.1 | 0 | 0 | 0 | 110.8 | | |
| 107 | T | 53.3 | Low | 50.1 | Low | 138 Ų | 138 | 127 Ų | 127 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | -110.2 | 130.3 | 168 | 46 | 0 | 0 | 0 | 0 | 110.5 | Q105 | Q105-T107 PolarHBondContact O-N 3.33Š|
| 108 | S | 52.7 | Low | 51 | Low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 154 | -177.4 | -36.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 109 | P | 63.3 | Low | 51.7 | Low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 139.3 | 169.9 | 30.1 | -32.4 | 0 | 0 | 0 | 111.6 | | |
| 110 | P | 55.9 | Low | 51.9 | Low | 129 Ų | 129 | 140.4 Ų | 140.4 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 141.9 | 174.7 | 29.5 | -32.7 | 0 | 0 | 0 | 112.4 | | |
| 111 | V | 51.6 | Low | 51.7 | Low | 139 Ų | 139 | 145.7 Ų | 145.7 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 140.8 | 171.4 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 112 | A | 50.7 | Low | 52.2 | Low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | | | trans | 67.7 | 126.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 113 | S | 46.4 | Very low | 52.8 | Low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | | -163.7 | 137.4 | 80.2 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | T115 | S113-T115 PolarHBondContact O-N 3.33Š|
| 114 | A | 54.7 | Low | 52.7 | Low | 103 Ų | 103 | 144.3 Ų | 144.3 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | | | trans | -61.6 | 112.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R116 | A114-R116 PolarHBondContact O-N 3.33Š|
| 115 | T | 53.5 | Low | 53.5 | Low | 128 Ų | 128 | 142.9 Ų | 142.9 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -87.3 | 95.1 | 166.1 | -36 | 0 | 0 | 0 | 0 | 109.1 | S113 S117 | S113-T115 PolarHBondContact O-N 3.33Å; T115-S117 PolarHBondContact O-N 3.32Å |
| 116 | R | 54.7 | Low | 53.8 | Low | 239 Ų | 239 | 140.3 Ų | 140.3 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -62.6 | 114.8 | 160.3 | -99.9 | 179.9 | 173.7 | -129.6 | 2.6 | 108.1 | A114 | A114-R116 PolarHBondContact O-N 3.33Š|
| 117 | S | 47.2 | Very low | 54.2 | Low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | | | trans | -141.3 | 75.3 | 159.6 | -66.3 | 0 | 0 | 0 | 0 | 107.6 | T115 W119 | T115-S117 PolarHBondContact O-N 3.32Å; S117-W119 PolarHBondContact O-N 3.05Å |
| 118 | R | 54.3 | Low | 54.5 | Low | 236 Ų | 236 | 142 Ų | 142 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | trans | -80.3 | 107.3 | 171.1 | -162.7 | 176.5 | -74.6 | -109.2 | 2.7 | 106.4 | W120 | R118-W120 PolarHBondContact O-N 2.86Š|
| 119 | W | 60.9 | Low | 54.6 | Low | 218 Ų | 218 | 148 Ų | 148 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | | | trans | -45.9 | 121.5 | 176.6 | -65 | 79.7 | 0 | 0 | 0 | 111.8 | S117 R121 | S117-W119 PolarHBondContact O-N 3.05Å; W119-R121 PolarHBondContact O-N 2.97Å |
| 120 | W | 53.1 | Low | 54.7 | Low | 258 Ų | 258 | 155.9 Ų | 155.9 | 98% | 0.977 | 84% | 0.841 | S | S | * | * | | | trans | -65.6 | 119.8 | 157.3 | -83.1 | 87.6 | 0 | 0 | 0 | 108.1 | R118 | R118-W120 PolarHBondContact O-N 2.86Š|
| 121 | R | 53.3 | Low | 54.6 | Low | 212 Ų | 212 | 157.2 Ų | 157.2 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | | | trans | -144.9 | 113.4 | 165.9 | -161.7 | -172.2 | -67.1 | -98.2 | 3.6 | 109.1 | W119 | W119-R121 PolarHBondContact O-N 2.97Š|
| 122 | G | 46.8 | Very low | 54.8 | Low | 77 Ų | 77 | 158.2 Ų | 158.2 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | | | trans | 59.7 | 113.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 123 | G | 54.8 | Low | 55 | Low | 78 Ų | 78 | 162.2 Ų | 162.2 | 80% | 0.804 | 85% | 0.849 | S | S | * | * | | | cis | 89.2 | 75.4 | 48.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 124 | T | 52.3 | Low | 55.5 | Low | 150 Ų | 150 | 165.3 Ų | 165.3 | 92% | 0.92 | 85% | 0.854 | S | S | * | * | | | trans | -161.5 | 113.4 | 151.5 | -20.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 125 | A | 59.6 | Low | 55.6 | Low | 94 Ų | 94 | 169.2 Ų | 169.2 | 78% | 0.777 | 85% | 0.854 | S | S | * | * | | | trans | -142.5 | 161.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 126 | P | 59.3 | Low | 55.7 | Low | 116 Ų | 116 | 171.9 Ų | 171.9 | 75% | 0.753 | 86% | 0.858 | S | S | * | * | | | cis | -127 | 157.4 | 5.2 | 35.8 | -18.4 | 0 | 0 | 0 | 113.9 | | |
| 127 | S | 60.5 | Low | 55.8 | Low | 114 Ų | 114 | 167.1 Ų | 167.1 | 80% | 0.797 | 86% | 0.855 | S | S | * | * | | | trans | -114.4 | 101.8 | 162 | -179 | 0 | 0 | 0 | 0 | 107.4 | | |
| 128 | M | 58.2 | Low | 56.4 | Low | 175 Ų | 175 | 172.8 Ų | 172.8 | 86% | 0.862 | 87% | 0.871 | S | S | * | * | | | trans | -109.1 | 130.9 | 169.4 | -85.8 | -83.5 | 125.1 | 0 | 0 | 108.3 | | |
| 129 | R | 56.6 | Low | 56.6 | Low | 235 Ų | 235 | 167.6 Ų | 167.6 | 89% | 0.887 | 87% | 0.869 | S | S | * | * | | | trans | -70.6 | 158.7 | -171 | -66.9 | 172.4 | 173.5 | -145.2 | -3.1 | 111.9 | | |
| 130 | K | 64 | Low | 56.2 | Low | 284 Ų | 284 | 163 Ų | 163 | 100% | 1.235 | 87% | 0.873 | S | S | * | * | | | trans | -60.2 | 0 | 159.3 | -80.2 | 175.4 | 172.4 | 177.1 | 0 | 111.6 | | |