| 1 | K | 55.6 | Low | 60.7 | Low | 258 Ų | 258 | 169.1 Ų | 169.1 | 100% | 1.122 | 82% | 0.817 | S | S | * | * | | | | 0 | 104.2 | 0 | -59.6 | 176.7 | 138.8 | -177.5 | 0 | 105.9 | | |
| 2 | W | 49.8 | Very low | 60.8 | Low | 257 Ų | 257 | 162.8 Ų | 162.8 | 97% | 0.973 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 139.5 | -175.3 | -67.2 | 76.9 | 0 | 0 | 0 | 109.3 | | |
| 3 | L | 60.9 | Low | 60.7 | Low | 176 Ų | 176 | 164.2 Ų | 164.2 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 138.3 | -176.3 | -77.3 | 158.6 | 0 | 0 | 0 | 110.4 | E5 | L3-E5 PolarHBondContact O-N 3.49Š|
| 4 | R | 66.3 | Low | 60.8 | Low | 233 Ų | 233 | 168.1 Ų | 168.1 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 125.5 | -177.8 | -175.1 | -170.9 | -60.7 | -97.9 | 2.2 | 109.7 | G6 | R4-G6 PolarHBondContact O-N 3.04Å; R4-G6 VanDerWaalsContact O-N 3.08Å |
| 5 | E | 64.8 | Low | 60.8 | Low | 194 Ų | 194 | 166.4 Ų | 166.4 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | | | trans | -66.9 | 103.5 | 166.6 | -69.3 | 178.1 | 169.5 | 0 | 0 | 108.3 | L3 | L3-E5 PolarHBondContact O-N 3.49Š|
| 6 | G | 60.5 | Low | 60.8 | Low | 62 Ų | 62 | 161.9 Ų | 161.9 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | trans | -86.9 | 126.8 | 169 | 0 | 0 | 0 | 0 | 0 | 108.5 | R4 F8 | R4-G6 PolarHBondContact O-N 3.04Å; R4-G6 VanDerWaalsContact O-N 3.08Å; G6-F8 PolarHBondContact O-N 3.43Å |
| 7 | I | 58.2 | Low | 60.6 | Low | 139 Ų | 139 | 158.5 Ų | 158.5 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | -54.2 | 124.5 | 177.9 | -47.3 | -178.1 | 0 | 0 | 0 | 108.8 | D9 | I7-D9 VanDerWaalsContact CG2-CG 3.41Å; I7-D9 WeakPolarHBondContact CG2-OD1 3.37Å; I7-D9 WeakPolarHBondContact CG2-OD2 3.06Å; I7-D9 PolarHBondContact O-N 3.04Å |
| 8 | F | 61 | Low | 60.4 | Low | 168 Ų | 168 | 153.3 Ų | 153.3 | 74% | 0.737 | 76% | 0.76 | S | S | * | * | | | trans | -80.9 | 70.3 | -178.1 | -159 | -92.2 | 0 | 0 | 0 | 109.1 | G6 G10 | G6-F8 PolarHBondContact O-N 3.43Å; F8-G10 WeakPolarHBondContact CE1-O 3.32Å; F8-G10 PolarHBondContact O-N 3.07Å; F8-G10 VanDerWaalsContact CE1-O 3.22Å; F8-G10 WeakPolarHBondContact CD1-O 3.12Å; F8-G10 VanDerWaalsContact C-N 3.25Å |
| 9 | D | 61.6 | Low | 60.2 | Low | 139 Ų | 139 | 152.6 Ų | 152.6 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | | | trans | -89.5 | 20.8 | -176.2 | -64 | -31.7 | 0 | 0 | 0 | 113.5 | I7 | I7-D9 VanDerWaalsContact CG2-CG 3.41Å; I7-D9 WeakPolarHBondContact CG2-OD1 3.37Å; I7-D9 WeakPolarHBondContact CG2-OD2 3.06Å; I7-D9 PolarHBondContact O-N 3.04Å |
| 10 | G | 63.7 | Low | 60.1 | Low | 46 Ų | 46 | 154.2 Ų | 154.2 | 47% | 0.474 | 76% | 0.757 | S | S | . | * | S | Bend | trans | -115.9 | 121.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | F8 | F8-G10 WeakPolarHBondContact CE1-O 3.32Å; F8-G10 PolarHBondContact O-N 3.07Å; F8-G10 VanDerWaalsContact CE1-O 3.22Å; F8-G10 WeakPolarHBondContact CD1-O 3.12Å; F8-G10 VanDerWaalsContact C-N 3.25Å |
| 11 | Q | 64.8 | Low | 60 | Low | 188 Ų | 188 | 152.4 Ų | 152.4 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | | | trans | -36.4 | 136.9 | 168.9 | -63.3 | 174.3 | -95.6 | 0 | 0 | 110.1 | E13 | Q11-E13 PolarHBondContact O-N 2.82Š|
| 12 | P | 62.7 | Low | 60.1 | Low | 94 Ų | 94 | 142.7 Ų | 142.7 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | | | trans | -60 | 117.3 | 171.6 | 25.4 | -30.1 | 0 | 0 | 0 | 106 | R14 | P12-R14 PolarHBondContact O-N 2.89Š|
| 13 | E | 59.8 | Low | 60.6 | Low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | | | trans | -41.2 | 120.5 | 159.3 | -112.6 | 179.8 | 165.2 | 0 | 0 | 105.2 | Q11 I15 | Q11-E13 PolarHBondContact O-N 2.82Å; E13-I15 VanDerWaalsContact O-CG1 3.3Å; E13-I15 WeakPolarHBondContact O-CG1 3.4Å; E13-I15 PolarHBondContact O-N 3.04Å |
| 14 | R | 61 | Low | 60.4 | Low | 220 Ų | 220 | 139 Ų | 139 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | | | trans | -55.5 | 95.5 | -177.5 | -86.8 | 171.4 | 57.7 | -153.1 | -3 | 106.8 | P12 N16 | P12-R14 PolarHBondContact O-N 2.89Å; R14-N16 VanDerWaalsContact C-N 3.27Å; R14-N16 PolarHBondContact O-N 2.79Å |
| 15 | I | 61.1 | Low | 60.2 | Low | 142 Ų | 142 | 135.4 Ų | 135.4 | 73% | 0.728 | 71% | 0.712 | S | S | * | * | | | trans | -64.8 | 101.2 | 174.1 | -40.4 | 176.6 | 0 | 0 | 0 | 102.9 | E13 T17 | E13-I15 VanDerWaalsContact O-CG1 3.3Å; E13-I15 WeakPolarHBondContact O-CG1 3.4Å; E13-I15 PolarHBondContact O-N 3.04Å; I15-T17 PolarHBondContact O-N 3.33Å |
| 16 | N | 62 | Low | 60 | Low | 95 Ų | 95 | 136.5 Ų | 136.5 | 51% | 0.508 | 71% | 0.709 | S | S | . | * | | | trans | -68.2 | 104.5 | -179.4 | -138.7 | 0.6 | 0 | 0 | 0 | 104.1 | R14 A18 D19 | R14-N16 VanDerWaalsContact C-N 3.27Å; R14-N16 PolarHBondContact O-N 2.79Å; N16-A18 PolarHBondContact O-N 2.87Å; N16-D19 PolarHBondContact O-N 2.74Å |
| 17 | T | 56.7 | Low | 59.8 | Low | 103 Ų | 103 | 141.9 Ų | 141.9 | 63% | 0.632 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -54.5 | -17.6 | -173.3 | -38.9 | 0 | 0 | 0 | 0 | 112.5 | I15 D19 Y20 V21 | I15-T17 PolarHBondContact O-N 3.33Å; T17-D19 VanDerWaalsContact C-N 3.3Å; T17-D19 PolarHBondContact O-N 2.81Å; T17-Y20 PolarHBondContact O-N 3.05Å; T17-V21 WeakPolarHBondContact O-CG2 3.45Å; T17-V21 PolarHBondContact O-N 2.87Å |
| 18 | A | 56.3 | Low | 59.9 | Low | 65 Ų | 65 | 141 Ų | 141 | 54% | 0.537 | 71% | 0.714 | S | S | . | * | G | 310 helix | trans | -56.6 | -35.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N16 Y20 V21 G22 | N16-A18 PolarHBondContact O-N 2.87Å; A18-Y20 VanDerWaalsContact C-N 3.28Å; A18-Y20 PolarHBondContact O-N 3.1Å; A18-V21 PolarHBondContact O-N 2.63Å; A18-G22 PolarHBondContact O-N 2.78Å |
| 19 | D | 56.6 | Low | 60 | Low | 141 Ų | 141 | 138.5 Ų | 138.5 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -76.1 | -17.2 | 179 | -65.4 | -27.2 | 0 | 0 | 0 | 112.4 | N16 T17 | N16-D19 PolarHBondContact O-N 2.74Å; T17-D19 VanDerWaalsContact C-N 3.3Å; T17-D19 PolarHBondContact O-N 2.81Å |
| 20 | Y | 58.3 | Low | 60 | Low | 184 Ų | 184 | 135.8 Ų | 135.8 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -21.1 | 173.3 | -155.9 | -94.1 | 0 | 0 | 0 | 112.6 | T17 A18 | T17-Y20 PolarHBondContact O-N 3.05Å; A18-Y20 VanDerWaalsContact C-N 3.28Å; A18-Y20 PolarHBondContact O-N 3.1Å |
| 21 | V | 58.6 | Low | 60.1 | Low | 116 Ų | 116 | 140.2 Ų | 140.2 | 70% | 0.703 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -96.8 | 0.8 | -179.9 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | T17 A18 | T17-V21 WeakPolarHBondContact O-CG2 3.45Å; T17-V21 PolarHBondContact O-N 2.87Å; A18-V21 PolarHBondContact O-N 2.63Å |
| 22 | G | 58 | Low | 59.9 | Low | 55 Ų | 55 | 135.7 Ų | 135.7 | 57% | 0.567 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -107.7 | 33.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | A18 | A18-G22 PolarHBondContact O-N 2.78Š|
| 23 | N | 59.8 | Low | 59.8 | Low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -161 | 43.6 | 162.2 | -140.7 | 23.3 | 0 | 0 | 0 | 115.8 | | |
| 24 | Y | 57.5 | Low | 59.9 | Low | 209 Ų | 209 | 136.3 Ų | 136.3 | 82% | 0.82 | 71% | 0.71 | S | S | * | * | | | trans | -101.1 | 8.7 | 167.7 | -84.5 | -79.9 | 0 | 0 | 0 | 113.8 | Y26 | Y24-Y26 PolarHBondContact O-N 2.81Å; Y24-Y26 VanDerWaalsContact O-N 3.1Å |
| 25 | L | 61.8 | Low | 59.9 | Low | 158 Ų | 158 | 129.2 Ų | 129.2 | 83% | 0.827 | 70% | 0.699 | S | S | * | * | | | trans | -86.4 | 62.5 | 168 | -83.4 | 133.4 | 0 | 0 | 0 | 109.4 | E27 | L25-E27 VanDerWaalsContact C-N 3.26Å; L25-E27 PolarHBondContact O-N 2.84Å; L25-E27 VanDerWaalsContact O-N 3.08Å |
| 26 | Y | 59.6 | Low | 59.9 | Low | 216 Ų | 216 | 131.3 Ų | 131.3 | 85% | 0.847 | 71% | 0.705 | S | S | * | * | | | trans | -73.5 | 94.5 | 157 | -141.2 | -92.4 | 0 | 0 | 0 | 105.5 | Y24 N28 | Y24-Y26 PolarHBondContact O-N 2.81Å; Y24-Y26 VanDerWaalsContact O-N 3.1Å; Y26-N28 PolarHBondContact O-N 3.29Å |
| 27 | E | 57.6 | Low | 59.9 | Low | 175 Ų | 175 | 131.8 Ų | 131.8 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | | | trans | -59.2 | 84.7 | 166.5 | -82.2 | -177.5 | 136.3 | 0 | 0 | 108.6 | L25 N29 | L25-E27 VanDerWaalsContact C-N 3.26Å; L25-E27 PolarHBondContact O-N 2.84Å; L25-E27 VanDerWaalsContact O-N 3.08Å; E27-N29 PolarHBondContact O-N 3.46Å |
| 28 | N | 58.7 | Low | 60.1 | Low | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | | | trans | -83.7 | 77.8 | 155.7 | -172.9 | 27.7 | 0 | 0 | 0 | 107.4 | Y26 S30 | Y26-N28 PolarHBondContact O-N 3.29Å; N28-S30 PolarHBondContact ND2-OG 2.76Å; N28-S30 PolarHBondContact OD1-OG 3.2Å; N28-S30 PolarHBondContact O-N 2.67Å |
| 29 | N | 64.4 | Low | 60.5 | Low | 116 Ų | 116 | 138.9 Ų | 138.9 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | | | trans | -68.3 | 68.1 | 160.9 | 178.5 | 14 | 0 | 0 | 0 | 108.6 | E27 N31 | E27-N29 PolarHBondContact O-N 3.46Å; N29-N31 PolarHBondContact O-N 3.08Å; N29-N31 PolarHBondContact OD1-OD1 2.82Å; N29-N31 PolarHBondContact OD1-ND2 3.05Å; N29-N31 WeakPolarHBondContact OD1-CB 3.3Å |
| 30 | S | 60.8 | Low | 60.8 | Low | 83 Ų | 83 | 137.9 Ų | 137.9 | 58% | 0.58 | 72% | 0.721 | S | S | * | * | | | trans | -80.4 | 66 | 167.1 | -81.3 | 0 | 0 | 0 | 0 | 108.8 | N28 S32 | N28-S30 PolarHBondContact ND2-OG 2.76Å; N28-S30 PolarHBondContact OD1-OG 3.2Å; N28-S30 PolarHBondContact O-N 2.67Å; S30-S32 PolarHBondContact O-N 2.98Å; S30-S32 VanDerWaalsContact O-N 3.07Å |
| 31 | N | 66.6 | Low | 61 | Low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | | | trans | -79.7 | 74.3 | 162.5 | -76.1 | -9.2 | 0 | 0 | 0 | 108.9 | N29 | N29-N31 PolarHBondContact O-N 3.08Å; N29-N31 PolarHBondContact OD1-OD1 2.82Å; N29-N31 PolarHBondContact OD1-ND2 3.05Å; N29-N31 WeakPolarHBondContact OD1-CB 3.3Å |
| 32 | S | 59.3 | Low | 61.2 | Low | 93 Ų | 93 | 139.4 Ų | 139.4 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | trans | -127.9 | 88.7 | 146.9 | -172.9 | 0 | 0 | 0 | 0 | 106.5 | S30 I34 | S30-S32 PolarHBondContact O-N 2.98Å; S30-S32 VanDerWaalsContact O-N 3.07Å; S32-I34 PolarHBondContact O-N 2.87Å |
| 33 | T | 61.5 | Low | 61.5 | Low | 128 Ų | 128 | 140.8 Ų | 140.8 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | | | trans | -52.5 | 91.7 | 156.9 | -57.2 | 0 | 0 | 0 | 0 | 106.7 | A35 | T33-A35 PolarHBondContact O-N 3.1Š|
| 34 | I | 62.5 | Low | 61.8 | Low | 158 Ų | 158 | 141.5 Ų | 141.5 | 81% | 0.81 | 73% | 0.73 | S | S | * | * | | | trans | -64.2 | 102.1 | 162.2 | -62.5 | 176.2 | 0 | 0 | 0 | 103.6 | S32 E36 | S32-I34 PolarHBondContact O-N 2.87Å; I34-E36 PolarHBondContact O-N 3.35Å |
| 35 | A | 61.1 | Low | 62.2 | Low | 72 Ų | 72 | 139.3 Ų | 139.3 | 60% | 0.595 | 73% | 0.725 | S | S | * | * | | | trans | -49.2 | 131.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T33 N37 | T33-A35 PolarHBondContact O-N 3.1Å; A35-N37 VanDerWaalsContact C-N 3.26Å; A35-N37 PolarHBondContact O-N 3.42Å |
| 36 | E | 60.7 | Low | 62.3 | Low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | | | trans | -47.6 | 94.7 | 157.4 | -72.1 | 176.7 | 144.7 | 0 | 0 | 109.2 | I34 | I34-E36 PolarHBondContact O-N 3.35Š|
| 37 | N | 61.8 | Low | 62.4 | Low | 104 Ų | 104 | 134.4 Ų | 134.4 | 56% | 0.556 | 71% | 0.709 | S | S | * | * | | | trans | -145.4 | 43.6 | 157.1 | -159.2 | 74.3 | 0 | 0 | 0 | 111.2 | A35 K39 | A35-N37 VanDerWaalsContact C-N 3.26Å; A35-N37 PolarHBondContact O-N 3.42Å; N37-K39 PolarHBondContact O-N 3.42Å; N37-K39 VanDerWaalsContact OD1-CB 3.32Å; N37-K39 WeakPolarHBondContact OD1-CB 3.22Å; N37-K39 WeakPolarHBondContact OD1-CD 3.36Å; N37-K39 WeakPolarHBondContact OD1-CE 2.98Å; N37-K39 WeakPolarHBondContact OD1-CG 3.35Å |
| 38 | D | 61 | Low | 62.6 | Low | 172 Ų | 172 | 131.2 Ų | 131.2 | 92% | 0.92 | 70% | 0.702 | S | S | * | * | | | trans | -71.9 | 44.4 | 140.1 | -79.2 | -21.5 | 0 | 0 | 0 | 109.2 | N40 | D38-N40 PolarHBondContact O-N 3.19Š|
| 39 | K | 63.5 | Low | 63 | Low | 146 Ų | 146 | 135.5 Ų | 135.5 | 64% | 0.635 | 71% | 0.71 | S | S | * | * | | | trans | -72.7 | 93.6 | 166.4 | -70.7 | -171.4 | -160.1 | 177 | 0 | 105 | N37 | N37-K39 PolarHBondContact O-N 3.42Å; N37-K39 VanDerWaalsContact OD1-CB 3.32Å; N37-K39 WeakPolarHBondContact OD1-CB 3.22Å; N37-K39 WeakPolarHBondContact OD1-CD 3.36Å; N37-K39 WeakPolarHBondContact OD1-CE 2.98Å; N37-K39 WeakPolarHBondContact OD1-CG 3.35Å |
| 40 | N | 63.8 | Low | 63 | Low | 120 Ų | 120 | 137.5 Ų | 137.5 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | | | trans | 48.4 | 99.7 | 146.9 | -49.2 | -34.1 | 0 | 0 | 0 | 111.6 | D38 L42 | D38-N40 PolarHBondContact O-N 3.19Å; N40-L42 PolarHBondContact O-N 2.84Å; N40-L42 HydrophobicContact CB-CG 4.06Å |
| 41 | H | 62 | Low | 63.1 | Low | 180 Ų | 180 | 138.5 Ų | 138.5 | 83% | 0.833 | 73% | 0.727 | S | S | * | * | | | trans | -61.1 | 77.7 | 149.4 | -167.1 | -82.1 | 0 | 0 | 0 | 106.7 | S43 | H41-S43 PolarHBondContact O-N 3.29Š|
| 42 | L | 63.3 | Low | 62.9 | Low | 151 Ų | 151 | 139.4 Ų | 139.4 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | -61.6 | 80.6 | 158.1 | -78.9 | 168.4 | 0 | 0 | 0 | 103.3 | N40 E44 | N40-L42 PolarHBondContact O-N 2.84Å; N40-L42 HydrophobicContact CB-CG 4.06Å; L42-E44 PolarHBondContact O-N 2.83Å |
| 43 | S | 64.9 | Low | 63.2 | Low | 85 Ų | 85 | 139.9 Ų | 139.9 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | | | trans | -59.2 | 96.7 | 161.3 | -175.5 | 0 | 0 | 0 | 0 | 103.9 | H41 K45 | H41-S43 PolarHBondContact O-N 3.29Å; S43-K45 PolarHBondContact O-N 3.36Å |
| 44 | E | 65.9 | Low | 63.2 | Low | 160 Ų | 160 | 139.2 Ų | 139.2 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | -50.2 | 117.7 | 172.2 | -171 | 166.4 | -171.6 | 0 | 0 | 106.7 | L42 Q46 | L42-E44 PolarHBondContact O-N 2.83Å; E44-Q46 PolarHBondContact O-N 2.93Å; E44-Q46 VanDerWaalsContact O-N 3.1Å |
| 45 | K | 64.7 | Low | 63 | Low | 163 Ų | 163 | 140 Ų | 140 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | | | trans | -56.9 | 118.4 | 179.6 | -64.7 | -171.1 | 174.9 | -167.6 | 0 | 107.5 | S43 D47 | S43-K45 PolarHBondContact O-N 3.36Å; K45-D47 VanDerWaalsContact C-N 3.35Å; K45-D47 PolarHBondContact O-N 2.94Å |
| 46 | Q | 64.1 | Low | 62.8 | Low | 152 Ų | 152 | 145.8 Ų | 145.8 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | | | trans | -94 | 85.9 | 153.1 | -64.6 | -62.4 | -26 | 0 | 0 | 105.7 | E44 T48 | E44-Q46 PolarHBondContact O-N 2.93Å; E44-Q46 VanDerWaalsContact O-N 3.1Å; Q46-T48 PolarHBondContact O-N 2.65Å |
| 47 | D | 62.1 | Low | 62.9 | Low | 119 Ų | 119 | 143.8 Ų | 143.8 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | trans | -63.3 | 87 | 157.7 | -70.9 | -40.4 | 0 | 0 | 0 | 105.7 | K45 Y49 | K45-D47 VanDerWaalsContact C-N 3.35Å; K45-D47 PolarHBondContact O-N 2.94Å; D47-Y49 PolarHBondContact O-N 3.38Å |
| 48 | T | 61.9 | Low | 63 | Low | 108 Ų | 108 | 145.8 Ų | 145.8 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | | | trans | -66.6 | 90.5 | 171.7 | -54.3 | 0 | 0 | 0 | 0 | 106.8 | Q46 L50 | Q46-T48 PolarHBondContact O-N 2.65Å; T48-L50 HydrophobicContact CG2-CD2 4.29Å; T48-L50 HydrophobicContact CG2-CG 4.11Å; T48-L50 PolarHBondContact O-N 3Å |
| 49 | Y | 66.1 | Low | 63.1 | Low | 210 Ų | 210 | 144.4 Ų | 144.4 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | -57.6 | 90.5 | 159.5 | -103.1 | -94.8 | 0 | 0 | 0 | 106.5 | D47 S51 | D47-Y49 PolarHBondContact O-N 3.38Å; Y49-S51 PolarHBondContact O-N 3.28Å |
| 50 | L | 64.7 | Low | 63 | Low | 159 Ų | 159 | 144.3 Ų | 144.3 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -68 | 90.2 | 163 | -79.2 | 171.4 | 0 | 0 | 0 | 106.3 | T48 N52 | T48-L50 HydrophobicContact CG2-CD2 4.29Å; T48-L50 HydrophobicContact CG2-CG 4.11Å; T48-L50 PolarHBondContact O-N 3Å; L50-N52 PolarHBondContact O-N 2.96Å |
| 51 | S | 63.9 | Low | 63 | Low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -43 | 131.8 | 170.3 | -82.6 | 0 | 0 | 0 | 0 | 111.2 | Y49 S53 | Y49-S51 PolarHBondContact O-N 3.28Å; S51-S53 PolarHBondContact O-N 3.08Å |
| 52 | N | 61.8 | Low | 63.1 | Low | 158 Ų | 158 | 143.5 Ų | 143.5 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -23.1 | 113.6 | 170.4 | -57.2 | -28.2 | 0 | 0 | 0 | 114.5 | L50 | L50-N52 PolarHBondContact O-N 2.96Š|
| 53 | S | 65.7 | Low | 63 | Low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -99.9 | 97.2 | 154.8 | 160.8 | 0 | 0 | 0 | 0 | 106.9 | S51 M55 | S51-S53 PolarHBondContact O-N 3.08Å; S53-M55 PolarHBondContact O-N 3.47Å |
| 54 | S | 62.7 | Low | 62.9 | Low | 115 Ų | 115 | 147.5 Ų | 147.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -55.1 | 104.3 | 165.9 | -57.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 55 | M | 57.6 | Low | 62.7 | Low | 174 Ų | 174 | 146.4 Ų | 146.4 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | | | trans | -96.5 | 118.4 | 162.6 | -78 | -160.2 | 70.3 | 0 | 0 | 108 | S53 | S53-M55 PolarHBondContact O-N 3.47Š|
| 56 | S | 56.6 | Low | 62.5 | Low | 193 Ų | 193 | 144.9 Ų | 144.9 | 100% | 1.35 | 82% | 0.815 | S | S | * | * | | | trans | -58 | 0 | 177.5 | -62.6 | 0 | 0 | 0 | 0 | 114 | | |