| 1 | M | 30.4 | Very low | 35.3 | Very low | 236 Ų | 236 | 137.2 Ų | 137.2 | 100% | 1.163 | 74% | 0.738 | S | S | * | * | | | | 0 | 94.4 | 0 | -159.5 | 170.2 | -177.7 | 0 | 0 | 106.1 | | |
| 2 | C | 25 | Very low | 35.6 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | | | trans | -109 | 125.3 | 178.6 | -58 | 0 | 0 | 0 | 0 | 107.2 | | |
| 3 | I | 26.6 | Very low | 35.7 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | trans | -89.9 | 133.8 | -176.3 | -59.8 | 176.4 | 0 | 0 | 0 | 108.7 | | |
| 4 | T | 28.1 | Very low | 35.5 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | | | trans | -80.3 | 145.6 | -164.6 | 40.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 5 | N | 31.5 | Very low | 35.5 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | | | trans | 46.5 | 74.7 | 151.2 | -88.3 | 1.5 | 0 | 0 | 0 | 117.1 | | |
| 6 | E | 37.9 | Very low | 35.7 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | | | trans | -104.8 | 118 | 154.1 | -65.9 | -166.7 | 115.5 | 0 | 0 | 108.7 | V8 | E6-V8 PolarHBondContact O-N 2.96Å; E6-V8 VanDerWaalsContact C-N 3.35Å |
| 7 | T | 41.8 | Very low | 35.8 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | trans | -74.6 | 93.7 | 171 | -54.9 | 0 | 0 | 0 | 0 | 107.2 | N9 | T7-N9 VanDerWaalsContact O-N 3.12Å; T7-N9 PolarHBondContact O-N 3.4Å |
| 8 | V | 43.6 | Very low | 35.9 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 52% | 0.521 | 71% | 0.714 | S | S | . | * | | | trans | -75.7 | 100.2 | 174.4 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | E6 V10 | E6-V8 PolarHBondContact O-N 2.96Å; E6-V8 VanDerWaalsContact C-N 3.35Å; V8-V10 HydrophobicContact CG1-CG2 3.92Å; V8-V10 PolarHBondContact O-N 3.16Å; V8-V10 VanDerWaalsContact C-N 3.34Å |
| 9 | N | 39.3 | Very low | 36.2 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 65% | 0.647 | 72% | 0.722 | S | S | * | * | | | trans | -71.5 | 90.4 | 169.3 | -82.3 | -27.4 | 0 | 0 | 0 | 109.1 | T7 F11 | T7-N9 VanDerWaalsContact O-N 3.12Å; T7-N9 PolarHBondContact O-N 3.4Å; N9-F11 HydrophobicContact CB-CD2 4.3Å; N9-F11 HydrophobicContact CB-CE2 3.9Å; N9-F11 WeakPolarHBondContact O-CD2 3.23Å; N9-F11 PolarHBondContact O-N 2.97Å; N9-F11 VanDerWaalsContact O-N 3.13Å |
| 10 | V | 43.7 | Very low | 36.3 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 57% | 0.57 | 72% | 0.716 | S | S | * | * | | | trans | -74.7 | 100.5 | 170.7 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | V8 V12 | V8-V10 HydrophobicContact CG1-CG2 3.92Å; V8-V10 PolarHBondContact O-N 3.16Å; V8-V10 VanDerWaalsContact C-N 3.34Å; V10-V12 HydrophobicContact CG1-CG2 3.88Å; V10-V12 PolarHBondContact O-N 2.95Å; V10-V12 VanDerWaalsContact O-N 3.14Å |
| 11 | F | 39.9 | Very low | 36.6 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | | | trans | -75.9 | 94.3 | 169.5 | -74.7 | -90.4 | 0 | 0 | 0 | 109.1 | N9 V13 | N9-F11 HydrophobicContact CB-CD2 4.3Å; N9-F11 HydrophobicContact CB-CE2 3.9Å; N9-F11 WeakPolarHBondContact O-CD2 3.23Å; N9-F11 PolarHBondContact O-N 2.97Å; N9-F11 VanDerWaalsContact O-N 3.13Å; F11-V13 PolarHBondContact O-N 2.85Å |
| 12 | V | 39.7 | Very low | 36.9 | Very low | 74 Ų | 74 | 122.5 Ų | 122.5 | 45% | 0.448 | 70% | 0.695 | S | S | . | * | | | trans | -79.7 | 103.3 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | V10 G14 | V10-V12 HydrophobicContact CG1-CG2 3.88Å; V10-V12 PolarHBondContact O-N 2.95Å; V10-V12 VanDerWaalsContact O-N 3.14Å; V12-G14 PolarHBondContact O-N 3.34Å; V12-G14 VanDerWaalsContact O-N 3.16Å |
| 13 | V | 36.1 | Very low | 37.8 | Very low | 147 Ų | 147 | 121.3 Ų | 121.3 | 89% | 0.891 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 108.2 | 170.7 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | F11 | F11-V13 PolarHBondContact O-N 2.85Š|
| 14 | G | 33.9 | Very low | 38.3 | Very low | 75 Ų | 75 | 117.7 Ų | 117.7 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 118.4 | -6.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | V12 | V12-G14 PolarHBondContact O-N 3.34Å; V12-G14 VanDerWaalsContact O-N 3.16Å |
| 15 | S | 35.4 | Very low | 39 | Very low | 71 Ų | 71 | 115.5 Ų | 115.5 | 50% | 0.497 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -147.5 | 133.9 | -178.9 | -65 | 0 | 0 | 0 | 0 | 111.8 | S17 | S15-S17 PolarHBondContact O-N 2.73Š|
| 16 | K | 37.6 | Very low | 39.3 | Very low | 205 Ų | 205 | 112.1 Ų | 112.1 | 89% | 0.891 | 64% | 0.641 | S | S | * | * | | | trans | -35.2 | 126.5 | -178.6 | -73.6 | 174.6 | 174.4 | 176.2 | 0 | 113.6 | S18 | K16-S18 PolarHBondContact O-N 2.89Š|
| 17 | S | 38 | Very low | 39.2 | Very low | 119 Ų | 119 | 106.9 Ų | 106.9 | 83% | 0.832 | 62% | 0.621 | S | S | * | * | | | trans | -34.9 | 96.8 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 114.6 | S15 | S15-S17 PolarHBondContact O-N 2.73Š|
| 18 | S | 38.4 | Very low | 39.3 | Very low | 58 Ų | 58 | 104 Ų | 104 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | | | trans | -96.6 | 102.1 | 163.9 | -66.1 | 0 | 0 | 0 | 0 | 107.8 | K16 C20 | K16-S18 PolarHBondContact O-N 2.89Å; S18-C20 PolarHBondContact O-N 3.49Å |
| 19 | R | 41.2 | Very low | 39.3 | Very low | 226 Ų | 226 | 111 Ų | 111 | 85% | 0.853 | 62% | 0.617 | S | S | * | * | | | trans | -69.6 | 94.9 | 179.2 | -72.2 | 178.6 | 171.2 | 172.7 | -3.1 | 109.4 | T21 | R19-T21 VanDerWaalsContact C-N 3.28Å; R19-T21 PolarHBondContact O-N 2.03Å; R19-T21 PolarHBondContact O-OG1 3.22Å |
| 20 | C | 37.8 | Very low | 39.2 | Very low | 89 Ų | 89 | 112.2 Ų | 112.2 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | | | trans | -68 | 93.9 | 161.8 | -69.9 | 0 | 0 | 0 | 0 | 107.9 | S18 V23 | S18-C20 PolarHBondContact O-N 3.49Å; C20-V23 HydrophobicContact CB-CG2 4.48Å |
| 21 | T | 42.1 | Very low | 39.1 | Very low | 111 Ų | 111 | 110.8 Ų | 110.8 | 68% | 0.681 | 61% | 0.612 | S | S | * | * | | | trans | -85.4 | 117.1 | -178.2 | -43.1 | 0 | 0 | 0 | 0 | 107.1 | R19 | R19-T21 VanDerWaalsContact C-N 3.28Å; R19-T21 PolarHBondContact O-N 2.03Å; R19-T21 PolarHBondContact O-OG1 3.22Å |
| 22 | T | 38.2 | Very low | 39.4 | Very low | 124 Ų | 124 | 105 Ų | 105 | 76% | 0.761 | 59% | 0.592 | S | S | * | * | | | trans | 71.9 | 77.8 | 169.5 | -30.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 23 | V | 42.5 | Very low | 39.4 | Very low | 70 Ų | 70 | 110.9 Ų | 110.9 | 42% | 0.424 | 61% | 0.611 | S | S | . | * | | | trans | -103.5 | 111 | 164.9 | -165.9 | 0 | 0 | 0 | 0 | 108.4 | C20 V25 C27 L28 | C20-V23 HydrophobicContact CB-CG2 4.48Å; V23-V25 PolarHBondContact O-N 3.11Å; V23-V25 VanDerWaalsContact O-N 3.12Å; V23-C27 HydrophobicContact CG1-CB 4.33Å; V23-L28 HydrophobicContact CB-CD1 4Å; V23-L28 HydrophobicContact CG1-CD1 3.65Å; V23-L28 HydrophobicContact CG1-CG 3.85Å |
| 24 | D | 37.9 | Very low | 39.7 | Very low | 78 Ų | 78 | 109.9 Ų | 109.9 | 42% | 0.417 | 60% | 0.601 | S | S | . | * | | | trans | -50.1 | 116 | 166.8 | -170.6 | -69.2 | 0 | 0 | 0 | 108 | S26 C27 | D24-S26 PolarHBondContact O-N 3.47Å; D24-S26 WeakPolarHBondContact OD1-CB 3.07Å; D24-S26 PolarHBondContact OD1-N 3.34Å; D24-S26 PolarHBondContact OD1-OG 2.84Å; D24-C27 WeakPolarHBondContact O-CB 3.47Å; D24-C27 PolarHBondContact O-N 3.35Å; D24-C27 WeakPolarHBondContact O-CA 3.39Å; D24-C27 HydrophobicContact CB-CB 4.16Å |
| 25 | V | 42.3 | Very low | 40 | Very low | 70 Ų | 70 | 110.3 Ų | 110.3 | 42% | 0.424 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | -18.6 | -170.7 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | V23 C27 L28 | V23-V25 PolarHBondContact O-N 3.11Å; V23-V25 VanDerWaalsContact O-N 3.12Å; V25-C27 VanDerWaalsContact C-N 3.34Å; V25-L28 PolarHBondContact O-N 3.21Å |
| 26 | S | 37.6 | Very low | 40.2 | Very low | 83 Ų | 83 | 109.2 Ų | 109.2 | 58% | 0.58 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -23.8 | 173.5 | -30.6 | 0 | 0 | 0 | 0 | 112.9 | D24 | D24-S26 PolarHBondContact O-N 3.47Å; D24-S26 WeakPolarHBondContact OD1-CB 3.07Å; D24-S26 PolarHBondContact OD1-N 3.34Å; D24-S26 PolarHBondContact OD1-OG 2.84Å |
| 27 | C | 35.8 | Very low | 40.4 | Very low | 39 Ų | 39 | 104 Ų | 104 | 26% | 0.264 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71.3 | -34 | 172.7 | -155.5 | 0 | 0 | 0 | 0 | 110.6 | V23 D24 V25 R29 I31 | V23-C27 HydrophobicContact CG1-CB 4.33Å; D24-C27 WeakPolarHBondContact O-CB 3.47Å; D24-C27 PolarHBondContact O-N 3.35Å; D24-C27 WeakPolarHBondContact O-CA 3.39Å; D24-C27 HydrophobicContact CB-CB 4.16Å; V25-C27 VanDerWaalsContact C-N 3.34Å; C27-R29 VanDerWaalsContact C-N 3.31Å; C27-R29 PolarHBondContact O-N 3.31Å; C27-I31 HydrophobicContact CB-CD1 4.05Å; C27-I31 WeakPolarHBondContact O-CA 2.99Å; C27-I31 WeakPolarHBondContact O-CB 3.5Å; C27-I31 PolarHBondContact O-N 3.4Å; C27-I31 WeakPolarHBondContact SG-CD1 2.97Å |
| 28 | L | 44.2 | Very low | 40.5 | Very low | 64 Ų | 64 | 102 Ų | 102 | 34% | 0.335 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.5 | -21.8 | -174.4 | -98.2 | 144.2 | 0 | 0 | 0 | 115.4 | V23 V25 V32 I51 | V23-L28 HydrophobicContact CB-CD1 4Å; V23-L28 HydrophobicContact CG1-CD1 3.65Å; V23-L28 HydrophobicContact CG1-CG 3.85Å; V25-L28 PolarHBondContact O-N 3.21Å; L28-V32 WeakPolarHBondContact O-CG2 3.03Å; L28-V32 HydrophobicContact CD2-CG2 4.14Å; L28-I51 HydrophobicContact CD2-CD1 4.19Å |
| 29 | R | 43.3 | Very low | 40.7 | Very low | 233 Ų | 233 | 109.5 Ų | 109.5 | 88% | 0.879 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -94.9 | -25.3 | -177.2 | -81.1 | -172.9 | -175.3 | -173.3 | 2.6 | 115.7 | C27 | C27-R29 VanDerWaalsContact C-N 3.31Å; C27-R29 PolarHBondContact O-N 3.31Å |
| 30 | N | 37.7 | Very low | 40.7 | Very low | 147 Ų | 147 | 100 Ų | 100 | 79% | 0.786 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -123.9 | -13.8 | -178.3 | -87.2 | -13.7 | 0 | 0 | 0 | 114.4 | | |
| 31 | I | 41.7 | Very low | 40.9 | Very low | 64 Ų | 64 | 106.3 Ų | 106.3 | 33% | 0.328 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -18 | -178.5 | -57.7 | -173.7 | 0 | 0 | 0 | 110.9 | C27 K33 D34 N35 C36 | C27-I31 HydrophobicContact CB-CD1 4.05Å; C27-I31 WeakPolarHBondContact O-CA 2.99Å; C27-I31 WeakPolarHBondContact O-CB 3.5Å; C27-I31 PolarHBondContact O-N 3.4Å; C27-I31 WeakPolarHBondContact SG-CD1 2.97Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 3.05Å; I31-D34 PolarHBondContact O-N 3.21Å; I31-N35 HydrophobicContact CB-CB 4.28Å; I31-N35 HydrophobicContact CG2-CB 3.32Å; I31-N35 PolarHBondContact O-N 3.28Å; I31-C36 PolarHBondContact O-N 2.94Å |
| 32 | V | 45.8 | Very low | 40.9 | Very low | 59 Ų | 59 | 111 Ų | 111 | 36% | 0.358 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.3 | -21.6 | -178.6 | 174.5 | 0 | 0 | 0 | 0 | 114 | L28 I51 | L28-V32 WeakPolarHBondContact O-CG2 3.03Å; L28-V32 HydrophobicContact CD2-CG2 4.14Å; V32-I51 HydrophobicContact CG1-CD1 4.24Å |
| 33 | K | 40.6 | Very low | 40.8 | Very low | 196 Ų | 196 | 108.1 Ų | 108.1 | 85% | 0.852 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -29 | 177.3 | -93.1 | -174.2 | 174.2 | -178.2 | 0 | 115.2 | I31 | I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 3.05Å |
| 34 | D | 41.8 | Very low | 40.9 | Very low | 127 Ų | 127 | 112.8 Ų | 112.8 | 68% | 0.679 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | -30 | -167 | -140 | -104.6 | 0 | 0 | 0 | 114 | I31 T37 | I31-D34 PolarHBondContact O-N 3.21Å; D34-T37 PolarHBondContact O-OG1 2.91Å |
| 35 | N | 39.8 | Very low | 41.2 | Very low | 83 Ų | 83 | 117.3 Ų | 117.3 | 44% | 0.444 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.4 | -14.8 | -170.8 | -103 | -59.9 | 0 | 0 | 0 | 115.3 | I31 T37 S38 R39 | I31-N35 HydrophobicContact CB-CB 4.28Å; I31-N35 HydrophobicContact CG2-CB 3.32Å; I31-N35 PolarHBondContact O-N 3.28Å; N35-T37 PolarHBondContact O-N 2.89Å; N35-S38 PolarHBondContact O-N 3.14Å; N35-R39 PolarHBondContact O-N 2.82Å |
| 36 | C | 40.8 | Very low | 41.2 | Very low | 49 Ų | 49 | 116.6 Ų | 116.6 | 33% | 0.331 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -54.3 | -38.1 | 161.6 | -93.3 | 0 | 0 | 0 | 0 | 109.8 | I31 S38 R39 C40 | I31-C36 PolarHBondContact O-N 2.94Å; C36-S38 VanDerWaalsContact C-N 3.28Å; C36-S38 PolarHBondContact O-N 3.2Å; C36-R39 PolarHBondContact O-N 3.06Å; C36-C40 WeakPolarHBondContact O-CA 3.48Å; C36-C40 WeakPolarHBondContact O-CB 3.49Å; C36-C40 PolarHBondContact O-N 3.11Å; C36-C40 PolarHBondContact O-SG 3.2Å |
| 37 | T | 40.2 | Very low | 41.4 | Very low | 94 Ų | 94 | 118.6 Ų | 118.6 | 58% | 0.577 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.3 | -31.4 | 178.8 | -18.7 | 0 | 0 | 0 | 0 | 114.2 | D34 N35 | D34-T37 PolarHBondContact O-OG1 2.91Å; N35-T37 PolarHBondContact O-N 2.89Å |
| 38 | S | 41 | Very low | 41.7 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 54% | 0.538 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -91 | -27.9 | -177.4 | -95.8 | 0 | 0 | 0 | 0 | 114.3 | N35 C36 | N35-S38 PolarHBondContact O-N 3.14Å; C36-S38 VanDerWaalsContact C-N 3.28Å; C36-S38 PolarHBondContact O-N 3.2Å |
| 39 | R | 42.7 | Very low | 41.7 | Very low | 216 Ų | 216 | 124.7 Ų | 124.7 | 82% | 0.815 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -100.3 | -16 | 176.9 | -69.4 | -165.3 | 171.9 | -170.4 | -1.6 | 114.2 | N35 C36 R41 Y42 | N35-R39 PolarHBondContact O-N 2.82Å; C36-R39 PolarHBondContact O-N 3.06Å; R39-R41 PolarHBondContact O-N 3.31Å; R39-Y42 PolarHBondContact O-N 3.5Å |
| 40 | C | 41.4 | Very low | 41.6 | Very low | 27 Ų | 27 | 116.9 Ų | 116.9 | 18% | 0.182 | 59% | 0.59 | C | S | . | * | G | 310 helix | trans | -69.9 | -12.3 | 167.7 | -75.8 | 0 | 0 | 0 | 0 | 113.5 | C36 Y42 C46 | C36-C40 WeakPolarHBondContact O-CA 3.48Å; C36-C40 WeakPolarHBondContact O-CB 3.49Å; C36-C40 PolarHBondContact O-N 3.11Å; C36-C40 PolarHBondContact O-SG 3.2Å; C40-Y42 PolarHBondContact O-N 2.99Å; C40-C46 PolarHBondContact SG-SG 3.2Å; C40-C46 HydrophobicContact CB-CB 3.27Å; C40-C46 CovalentContact SG-SG 2.03Å; C40-C46 WeakPolarHBondContact CB-SG 3.37Å; C40-C46 WeakPolarHBondContact CA-SG 2.95Å; C40-C46 WeakPolarHBondContact SG-CB 3.12Å |
| 41 | R | 41.3 | Very low | 41.9 | Very low | 221 Ų | 221 | 114.8 Ų | 114.8 | 83% | 0.834 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -66.7 | -11.6 | 173.6 | -87.1 | -173.4 | 173.1 | 178.9 | -0.9 | 114.5 | R39 | R39-R41 PolarHBondContact O-N 3.31Š|
| 42 | Y | 41.6 | Very low | 41.8 | Very low | 210 Ų | 210 | 119.3 Ų | 119.3 | 82% | 0.824 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -110.2 | 6.7 | -175.6 | -82.4 | -81.3 | 0 | 0 | 0 | 114.9 | R39 C40 | R39-Y42 PolarHBondContact O-N 3.5Å; C40-Y42 PolarHBondContact O-N 2.99Å |
| 43 | S | 38 | Very low | 41.4 | Very low | 64 Ų | 64 | 123.5 Ų | 123.5 | 45% | 0.448 | 62% | 0.618 | S | S | . | * | | | trans | -150.2 | 118.7 | 173.7 | -88.3 | 0 | 0 | 0 | 0 | 110.2 | Y45 C46 | S43-Y45 PolarHBondContact O-N 3.02Å; S43-C46 WeakPolarHBondContact O-CB 3.16Å; S43-C46 PolarHBondContact O-N 3.13Å |
| 44 | D | 43.9 | Very low | 41.2 | Very low | 168 Ų | 168 | 120.7 Ų | 120.7 | 90% | 0.898 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.6 | -12.9 | 163 | -89.5 | -85.2 | 0 | 0 | 0 | 113.8 | | |
| 45 | Y | 43.4 | Very low | 40.7 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -6.9 | 178.3 | -57.3 | -72.6 | 0 | 0 | 0 | 115.1 | S43 Q47 | S43-Y45 PolarHBondContact O-N 3.02Å; Y45-Q47 VanDerWaalsContact C-N 3.25Å; Y45-Q47 PolarHBondContact O-N 2.99Å |
| 46 | C | 42.2 | Very low | 40.7 | Very low | 56 Ų | 56 | 129.7 Ų | 129.7 | 38% | 0.378 | 65% | 0.65 | S | S | . | * | | | trans | -82.5 | 72.9 | -179.9 | -128.4 | 0 | 0 | 0 | 0 | 110.1 | C40 S43 N48 | C40-C46 PolarHBondContact SG-SG 3.2Å; C40-C46 HydrophobicContact CB-CB 3.27Å; C40-C46 CovalentContact SG-SG 2.03Å; C40-C46 WeakPolarHBondContact CB-SG 3.37Å; C40-C46 WeakPolarHBondContact CA-SG 2.95Å; C40-C46 WeakPolarHBondContact SG-CB 3.12Å; S43-C46 WeakPolarHBondContact O-CB 3.16Å; S43-C46 PolarHBondContact O-N 3.13Å; C46-N48 PolarHBondContact O-N 2.98Å |
| 47 | Q | 42.4 | Very low | 40.7 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 58% | 0.584 | 67% | 0.666 | S | S | * | * | | | trans | -70.1 | 121.5 | 167.2 | -68.5 | -174.3 | -0.3 | 0 | 0 | 107.7 | Y45 V49 | Y45-Q47 VanDerWaalsContact C-N 3.25Å; Y45-Q47 PolarHBondContact O-N 2.99Å; Q47-V49 PolarHBondContact O-N 3.4Å; Q47-V49 WeakPolarHBondContact O-CG2 3.13Å; Q47-V49 VanDerWaalsContact O-CG2 3.23Å |
| 48 | N | 42.7 | Very low | 40.8 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 77% | 0.765 | 67% | 0.671 | S | S | * | * | | | trans | -56.9 | 87.5 | 169.6 | -87.4 | -20.8 | 0 | 0 | 0 | 108.6 | C46 A50 | C46-N48 PolarHBondContact O-N 2.98Å; N48-A50 VanDerWaalsContact C-N 3.27Å; N48-A50 PolarHBondContact O-N 3.02Å |
| 49 | V | 44.5 | Very low | 40.8 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 53% | 0.533 | 68% | 0.679 | S | S | . | * | | | trans | -72.2 | 95.2 | 173.4 | -148.9 | 0 | 0 | 0 | 0 | 105.2 | Q47 I51 | Q47-V49 PolarHBondContact O-N 3.4Å; Q47-V49 WeakPolarHBondContact O-CG2 3.13Å; Q47-V49 VanDerWaalsContact O-CG2 3.23Å; V49-I51 VanDerWaalsContact C-N 3.35Å; V49-I51 PolarHBondContact O-N 3.12Å |
| 50 | A | 39.7 | Very low | 40.6 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 56% | 0.562 | 67% | 0.671 | S | S | * | * | | | trans | -55.3 | 105.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | N48 H52 | N48-A50 VanDerWaalsContact C-N 3.27Å; N48-A50 PolarHBondContact O-N 3.02Å; A50-H52 PolarHBondContact O-CD2 2.91Å; A50-H52 PolarHBondContact O-N 3.12Å |
| 51 | I | 44.1 | Very low | 40.6 | Very low | 103 Ų | 103 | 142 Ų | 142 | 53% | 0.528 | 70% | 0.703 | S | S | . | * | | | trans | -68.6 | 89.7 | 171.5 | -57.4 | 176.4 | 0 | 0 | 0 | 105.4 | L28 V32 V49 N53 | L28-I51 HydrophobicContact CD2-CD1 4.19Å; V32-I51 HydrophobicContact CG1-CD1 4.24Å; V49-I51 VanDerWaalsContact C-N 3.35Å; V49-I51 PolarHBondContact O-N 3.12Å; I51-N53 PolarHBondContact O-N 3.23Å; I51-N53 VanDerWaalsContact O-N 3.11Å |
| 52 | H | 39.5 | Very low | 40.5 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | | | trans | -67.8 | 103.4 | 161.9 | -75.2 | -90.1 | 0 | 0 | 0 | 106 | A50 V54 | A50-H52 PolarHBondContact O-CD2 2.91Å; A50-H52 PolarHBondContact O-N 3.12Å; H52-V54 PolarHBondContact O-N 2.8Å |
| 53 | N | 38.1 | Very low | 40.5 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | | | trans | -54.8 | 104.7 | 167.6 | -92.1 | -7.7 | 0 | 0 | 0 | 108.2 | I51 K55 | I51-N53 PolarHBondContact O-N 3.23Å; I51-N53 VanDerWaalsContact O-N 3.11Å; N53-K55 VanDerWaalsContact C-N 3.28Å; N53-K55 PolarHBondContact O-N 3.01Å |
| 54 | V | 35.4 | Very low | 40.7 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | | | trans | -79.5 | 87.7 | 168.4 | -172.4 | 0 | 0 | 0 | 0 | 106.7 | H52 | H52-V54 PolarHBondContact O-N 2.8Š|
| 55 | K | 32.2 | Very low | 40.4 | Very low | 269 Ų | 269 | 133.4 Ų | 133.4 | 100% | 1.17 | 69% | 0.686 | S | S | * | * | | | trans | 59.7 | 0 | 172.9 | -69.8 | -173.3 | 176.3 | -178.9 | 0 | 118.2 | N53 | N53-K55 VanDerWaalsContact C-N 3.28Å; N53-K55 PolarHBondContact O-N 3.01Å |