| 1 | M | 58.8 | Low | 60 | Low | 204 Ų | 204 | 171.9 Ų | 171.9 | 100% | 1.005 | 77% | 0.773 | S | S | * | * | | | | 0 | 109.4 | 0 | -65.3 | -58.3 | 168 | 0 | 0 | 108 | Y3 | M1-Y3 HydrophobicContact SD-CE2 4.4Š|
| 2 | H | 56.4 | Low | 60.5 | Low | 199 Ų | 199 | 164.4 Ų | 164.4 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | | | trans | -148.3 | 90.9 | 156.6 | -90.6 | -175.6 | 0 | 0 | 0 | 106 | M4 | H2-M4 PolarHBondContact O-N 3.45Š|
| 3 | Y | 52.9 | Low | 60.5 | Low | 191 Ų | 191 | 167.8 Ų | 167.8 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | trans | -65 | 125.7 | 164.7 | -68.9 | -88.5 | 0 | 0 | 0 | 107.6 | M1 | M1-Y3 HydrophobicContact SD-CE2 4.4Š|
| 4 | M | 59 | Low | 60.6 | Low | 177 Ų | 177 | 163.1 Ų | 163.1 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | | | trans | -149.5 | 80.8 | 139 | -73.7 | -50.4 | 154.6 | 0 | 0 | 106.8 | H2 R6 | H2-M4 PolarHBondContact O-N 3.45Å; M4-R6 PolarHBondContact O-N 3.02Å |
| 5 | Y | 61.3 | Low | 60.6 | Low | 212 Ų | 212 | 157.9 Ų | 157.9 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | | | trans | -53.4 | 90.1 | 157.6 | 174.4 | -102.6 | 0 | 0 | 0 | 107.2 | P7 | Y5-P7 WeakPolarHBondContact O-CD 3.21Š|
| 6 | R | 55.9 | Low | 60.7 | Low | 202 Ų | 202 | 157.4 Ų | 157.4 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | | | trans | -89.5 | 105.8 | 179.7 | -167.5 | 173.5 | -166 | -109.8 | 4.7 | 107 | M4 R8 | M4-R6 PolarHBondContact O-N 3.02Å; R6-R8 PolarHBondContact O-N 2.75Å |
| 7 | P | 64.5 | Low | 60.6 | Low | 72 Ų | 72 | 160.1 Ų | 160.1 | 47% | 0.468 | 73% | 0.728 | S | S | . | * | | | trans | -67.5 | 110.6 | 178 | 28.1 | -31.4 | 0 | 0 | 0 | 107.7 | Y5 S9 | Y5-P7 WeakPolarHBondContact O-CD 3.21Å; P7-S9 PolarHBondContact O-N 3.19Å |
| 8 | R | 62.4 | Low | 60.4 | Low | 237 Ų | 237 | 161 Ų | 161 | 89% | 0.894 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -77.1 | 7.6 | -176.7 | -111.3 | -179.5 | -172.1 | -136 | 2.6 | 114.4 | R6 | R6-R8 PolarHBondContact O-N 2.75Š|
| 9 | S | 63.2 | Low | 60.3 | Low | 69 Ų | 69 | 158.7 Ų | 158.7 | 48% | 0.483 | 72% | 0.724 | S | S | . | * | | | trans | -141.9 | 115.4 | 169.7 | 64.5 | 0 | 0 | 0 | 0 | 110.8 | P7 | P7-S9 PolarHBondContact O-N 3.19Š|
| 10 | R | 62.4 | Low | 60.1 | Low | 241 Ų | 241 | 154.5 Ų | 154.5 | 91% | 0.909 | 71% | 0.714 | S | S | * | * | | | trans | -92.6 | 3.1 | 169.5 | -74.2 | 179.5 | 173.7 | 171 | -3.9 | 113 | | |
| 11 | S | 63.3 | Low | 59.9 | Low | 87 Ų | 87 | 158.4 Ų | 158.4 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -82.9 | 138 | 173.6 | -36.9 | 0 | 0 | 0 | 0 | 109.3 | R13 | S11-R13 PolarHBondContact O-N 2.91Š|
| 12 | P | 65.9 | Low | 59.7 | Low | 82 Ų | 82 | 157.6 Ų | 157.6 | 53% | 0.532 | 71% | 0.709 | S | S | . | * | | | trans | -52.5 | 138.3 | 166.6 | -13.1 | 23.6 | 0 | 0 | 0 | 107.9 | I14 | P12-I14 HydrophobicContact CB-CG1 4.02Å; P12-I14 WeakPolarHBondContact O-CG1 3.49Å; P12-I14 PolarHBondContact O-N 3.31Å |
| 13 | R | 60.4 | Low | 59.6 | Low | 208 Ų | 208 | 158.8 Ų | 158.8 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | | | trans | -67.5 | 82.6 | 168.6 | -71.9 | -177.3 | 177.4 | -178.6 | -1.2 | 107.6 | S11 C15 | S11-R13 PolarHBondContact O-N 2.91Å; R13-C15 PolarHBondContact O-N 2.62Å |
| 14 | I | 61.8 | Low | 59.5 | Low | 102 Ų | 102 | 153.8 Ų | 153.8 | 52% | 0.523 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.5 | 52.1 | 176.8 | -55.2 | 165.8 | 0 | 0 | 0 | 108.6 | P12 F18 | P12-I14 HydrophobicContact CB-CG1 4.02Å; P12-I14 WeakPolarHBondContact O-CG1 3.49Å; P12-I14 PolarHBondContact O-N 3.31Å; I14-F18 HydrophobicContact CB-CE2 4.48Å; I14-F18 HydrophobicContact CD1-CE2 4.32Å; I14-F18 HydrophobicContact CG1-CE2 4.36Å; I14-F18 HydrophobicContact CG2-CD2 3.14Å; I14-F18 HydrophobicContact CG2-CE2 3.24Å; I14-F18 HydrophobicContact CG2-CG 4.37Å |
| 15 | C | 61.3 | Low | 59.4 | Low | 85 Ų | 85 | 155.2 Ų | 155.2 | 57% | 0.574 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -14.1 | 167.2 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | R13 | R13-C15 PolarHBondContact O-N 2.62Š|
| 16 | H | 60.9 | Low | 59.1 | Low | 150 Ų | 150 | 150 Ų | 150 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -133.6 | -0.7 | 178.1 | -57.4 | -55.3 | 0 | 0 | 0 | 115.1 | | |
| 17 | R | 59.5 | Low | 59.1 | Low | 204 Ų | 204 | 151.5 Ų | 151.5 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -10.6 | -172.1 | -144.9 | 173.8 | -176.6 | -175.1 | 0.2 | 115.5 | | |
| 18 | F | 57.9 | Low | 58.7 | Low | 176 Ų | 176 | 153 Ų | 153 | 77% | 0.772 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 34.2 | 174.8 | -68 | -60.7 | 0 | 0 | 0 | 113.8 | I14 S20 | I14-F18 HydrophobicContact CB-CE2 4.48Å; I14-F18 HydrophobicContact CD1-CE2 4.32Å; I14-F18 HydrophobicContact CG1-CE2 4.36Å; I14-F18 HydrophobicContact CG2-CD2 3.14Å; I14-F18 HydrophobicContact CG2-CE2 3.24Å; I14-F18 HydrophobicContact CG2-CG 4.37Å; F18-S20 PolarHBondContact O-N 3.1Å |
| 19 | I | 57.2 | Low | 58.4 | Low | 117 Ų | 117 | 151.7 Ų | 151.7 | 60% | 0.6 | 70% | 0.702 | S | S | * | * | | | trans | -79.4 | 104.6 | 161.1 | -55.9 | 176.7 | 0 | 0 | 0 | 105.9 | R21 | I19-R21 PolarHBondContact O-N 2.78Š|
| 20 | S | 57.5 | Low | 58 | Low | 74 Ų | 74 | 150.7 Ų | 150.7 | 52% | 0.517 | 70% | 0.695 | S | S | . | * | | | trans | -56.9 | 116.6 | 169.5 | 72.9 | 0 | 0 | 0 | 0 | 107.1 | F18 Y22 R23 | F18-S20 PolarHBondContact O-N 3.1Å; S20-Y22 PolarHBondContact O-N 3.28Å; S20-R23 PolarHBondContact O-N 2.99Å; S20-R23 VanDerWaalsContact O-N 3.1Å |
| 21 | R | 55.5 | Low | 57.9 | Low | 238 Ų | 238 | 143.2 Ų | 143.2 | 90% | 0.898 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -3.9 | -179.5 | -152.7 | 175.8 | -66.6 | -171.5 | 0.5 | 112.5 | I19 | I19-R21 PolarHBondContact O-N 2.78Š|
| 22 | Y | 55.1 | Low | 57.5 | Low | 187 Ų | 187 | 149.3 Ų | 149.3 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -23.6 | 179.3 | -154.4 | -98.9 | 0 | 0 | 0 | 114.5 | S20 | S20-Y22 PolarHBondContact O-N 3.28Š|
| 23 | R | 53.1 | Low | 56.9 | Low | 223 Ų | 223 | 155.8 Ų | 155.8 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -0.6 | -177 | -146.6 | 177 | -168.3 | -117 | 3 | 115.2 | S20 | S20-R23 PolarHBondContact O-N 2.99Å; S20-R23 VanDerWaalsContact O-N 3.1Å |
| 24 | S | 50.7 | Low | 57.1 | Low | 87 Ų | 87 | 151.9 Ų | 151.9 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 17.7 | 179.1 | -45.6 | 0 | 0 | 0 | 0 | 113.3 | S26 | S24-S26 PolarHBondContact O-N 3.19Š|
| 25 | R | 56.7 | Low | 57.4 | Low | 206 Ų | 206 | 157.4 Ų | 157.4 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | | | trans | -80.7 | 0.8 | 173.3 | -89.1 | -177.5 | 167.2 | 167 | -3.9 | 114.3 | | |
| 26 | S | 55.9 | Low | 57.5 | Low | 103 Ų | 103 | 157.3 Ų | 157.3 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | | | trans | -115 | 69.1 | 178.8 | -50.7 | 0 | 0 | 0 | 0 | 110.5 | S24 S28 | S24-S26 PolarHBondContact O-N 3.19Å; S26-S28 PolarHBondContact O-N 3.33Å |
| 27 | R | 55.8 | Low | 57.7 | Low | 234 Ų | 234 | 154.8 Ų | 154.8 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | | | trans | -65.7 | 75.4 | 145.3 | -97.4 | -178.2 | 173.9 | 123.1 | -3.4 | 106.1 | R29 | R27-R29 PolarHBondContact O-N 3.15Š|
| 28 | S | 56.8 | Low | 57.5 | Low | 102 Ų | 102 | 153 Ų | 153 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | | | trans | -59.9 | 85 | 158.9 | 177.2 | 0 | 0 | 0 | 0 | 105.5 | S26 S30 | S26-S28 PolarHBondContact O-N 3.33Å; S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 2.96Å |
| 29 | R | 56.6 | Low | 57.6 | Low | 211 Ų | 211 | 154.4 Ų | 154.4 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | | | trans | -62.5 | 104.8 | 158 | -80.1 | 176.5 | 170 | 157.7 | -2.8 | 102.9 | R27 | R27-R29 PolarHBondContact O-N 3.15Š|
| 30 | S | 54.3 | Low | 57.7 | Low | 47 Ų | 47 | 152 Ų | 152 | 33% | 0.329 | 70% | 0.703 | S | S | . | * | | | trans | -38.8 | 129.4 | 170.3 | 163.1 | 0 | 0 | 0 | 0 | 108.4 | S28 Y32 R33 | S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 2.96Å; S30-Y32 PolarHBondContact O-N 3.18Å; S30-Y32 WeakPolarHBondContact OG-CD2 3.33Å; S30-Y32 PolarHBondContact OG-N 2.85Å; S30-R33 PolarHBondContact O-N 2.73Å |
| 31 | P | 58.7 | Low | 57.9 | Low | 85 Ų | 85 | 151.6 Ų | 151.6 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -58.1 | -17.1 | -178.8 | 21.5 | -30.2 | 0 | 0 | 0 | 111.9 | I34 | P31-I34 VanDerWaalsContact O-CD1 3.26Å; P31-I34 WeakPolarHBondContact O-CD1 3.39Å; P31-I34 VanDerWaalsContact O-CG1 3.26Å; P31-I34 WeakPolarHBondContact O-CG1 3.37Å |
| 32 | Y | 55.8 | Low | 58.2 | Low | 214 Ų | 214 | 145.6 Ų | 145.6 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -82.2 | -7.6 | 174.7 | -53.4 | -74.5 | 0 | 0 | 0 | 114.7 | S30 | S30-Y32 PolarHBondContact O-N 3.18Å; S30-Y32 WeakPolarHBondContact OG-CD2 3.33Å; S30-Y32 PolarHBondContact OG-N 2.85Å |
| 33 | R | 54.3 | Low | 58.4 | Low | 219 Ų | 219 | 143.9 Ų | 143.9 | 83% | 0.826 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -105.3 | 26.2 | 170.5 | -73.2 | -165.3 | -172 | 151.7 | 2.4 | 112.4 | S30 R35 | S30-R33 PolarHBondContact O-N 2.73Å; R33-R35 PolarHBondContact O-N 3.33Å; R33-R35 VanDerWaalsContact O-N 3.14Å |
| 34 | I | 63.9 | Low | 58.4 | Low | 125 Ų | 125 | 139 Ų | 139 | 64% | 0.641 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 116.5 | 163.3 | -69.3 | 168.7 | 0 | 0 | 0 | 106.9 | P31 N36 | P31-I34 VanDerWaalsContact O-CD1 3.26Å; P31-I34 WeakPolarHBondContact O-CD1 3.39Å; P31-I34 VanDerWaalsContact O-CG1 3.26Å; P31-I34 WeakPolarHBondContact O-CG1 3.37Å; I34-N36 PolarHBondContact O-N 3.07Å |
| 35 | R | 67.6 | Low | 58.8 | Low | 219 Ų | 219 | 144.2 Ų | 144.2 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 122.4 | 173.3 | -176.7 | 179.4 | 177.7 | -169.4 | -0.9 | 107.2 | R33 P37 | R33-R35 PolarHBondContact O-N 3.33Å; R33-R35 VanDerWaalsContact O-N 3.14Å; R35-P37 WeakPolarHBondContact O-CD 3.48Å; R35-P37 VanDerWaalsContact O-N 3.1Å |
| 36 | N | 63 | Low | 58.9 | Low | 82 Ų | 82 | 142 Ų | 142 | 44% | 0.439 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -46.1 | 117 | -177 | 175.3 | 14.1 | 0 | 0 | 0 | 111.1 | I34 F38 R39 | I34-N36 PolarHBondContact O-N 3.07Å; N36-F38 PolarHBondContact O-N 2.91Å; N36-F38 WeakPolarHBondContact OD1-CB 3.33Å; N36-F38 WeakPolarHBondContact OD1-CD2 3.26Å; N36-F38 PolarHBondContact OD1-N 2.83Å; N36-R39 HydrophobicContact CB-CB 4.15Å; N36-R39 WeakPolarHBondContact O-CB 3.37Å; N36-R39 PolarHBondContact O-N 3.32Å |
| 37 | P | 65.1 | Low | 59.1 | Low | 98 Ų | 98 | 141.5 Ų | 141.5 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -56.4 | -33 | 177.1 | -23.3 | 32.6 | 0 | 0 | 0 | 112.2 | R35 R39 G40 | R35-P37 WeakPolarHBondContact O-CD 3.48Å; R35-P37 VanDerWaalsContact O-N 3.1Å; P37-R39 VanDerWaalsContact C-N 3.29Å; P37-R39 PolarHBondContact O-N 2.85Å; P37-G40 PolarHBondContact O-N 3.02Å |
| 38 | F | 56.7 | Low | 59.2 | Low | 165 Ų | 165 | 134.8 Ų | 134.8 | 72% | 0.724 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -77.5 | -8.8 | 178.4 | -56.7 | -76 | 0 | 0 | 0 | 113.9 | N36 G40 S41 | N36-F38 PolarHBondContact O-N 2.91Å; N36-F38 WeakPolarHBondContact OD1-CB 3.33Å; N36-F38 WeakPolarHBondContact OD1-CD2 3.26Å; N36-F38 PolarHBondContact OD1-N 2.83Å; F38-G40 PolarHBondContact O-N 3.07Å; F38-S41 WeakPolarHBondContact O-CB 3.26Å; F38-S41 PolarHBondContact O-N 3.01Å |
| 39 | R | 59.9 | Low | 59.3 | Low | 206 Ų | 206 | 131.6 Ų | 131.6 | 78% | 0.777 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -71.6 | -12.7 | 171.4 | -132.9 | -179.9 | -166 | -86.2 | 3.9 | 112.4 | N36 P37 | N36-R39 HydrophobicContact CB-CB 4.15Å; N36-R39 WeakPolarHBondContact O-CB 3.37Å; N36-R39 PolarHBondContact O-N 3.32Å; P37-R39 VanDerWaalsContact C-N 3.29Å; P37-R39 PolarHBondContact O-N 2.85Å |
| 40 | G | 58.1 | Low | 59.7 | Low | 66 Ų | 66 | 126.3 Ų | 126.3 | 68% | 0.68 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -107.4 | 12.1 | 167 | 0 | 0 | 0 | 0 | 0 | 113.6 | P37 F38 | P37-G40 PolarHBondContact O-N 3.02Å; F38-G40 PolarHBondContact O-N 3.07Å |
| 41 | S | 61.9 | Low | 60.2 | Low | 67 Ų | 67 | 130.3 Ų | 130.3 | 47% | 0.469 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -54.5 | 131.1 | 169.5 | -177.2 | 0 | 0 | 0 | 0 | 108 | F38 K43 | F38-S41 WeakPolarHBondContact O-CB 3.26Å; F38-S41 PolarHBondContact O-N 3.01Å; S41-K43 PolarHBondContact O-N 2.94Å |
| 42 | P | 61.7 | Low | 60.3 | Low | 112 Ų | 112 | 133.2 Ų | 133.2 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | | | trans | -58.8 | 106.4 | 179.7 | 23.3 | -29.9 | 0 | 0 | 0 | 106.5 | C44 | P42-C44 VanDerWaalsContact C-N 3.32Å; P42-C44 PolarHBondContact O-N 3.14Å |
| 43 | K | 59 | Low | 60.5 | Low | 151 Ų | 151 | 128 Ų | 128 | 66% | 0.657 | 64% | 0.641 | S | S | * | * | | | trans | -57 | 109.1 | 167.4 | -70.2 | -170.8 | 179.6 | -174.7 | 0 | 104.1 | S41 F45 | S41-K43 PolarHBondContact O-N 2.94Å; K43-F45 PolarHBondContact O-N 3Å |
| 44 | C | 54.7 | Low | 60.8 | Low | 121 Ų | 121 | 121.4 Ų | 121.4 | 82% | 0.818 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.5 | 115.8 | 177.7 | -40.3 | 0 | 0 | 0 | 0 | 107.3 | P42 R46 | P42-C44 VanDerWaalsContact C-N 3.32Å; P42-C44 PolarHBondContact O-N 3.14Å; C44-R46 PolarHBondContact O-N 2.83Å |
| 45 | F | 59 | Low | 60.7 | Low | 195 Ų | 195 | 125.2 Ų | 125.2 | 86% | 0.855 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 3.8 | 92.3 | 179.1 | -72.3 | -96.1 | 0 | 0 | 0 | 113.5 | K43 S47 | K43-F45 PolarHBondContact O-N 3Å; F45-S47 PolarHBondContact O-N 2.96Å |
| 46 | R | 58.7 | Low | 60.3 | Low | 161 Ų | 161 | 123.6 Ų | 123.6 | 61% | 0.608 | 63% | 0.629 | S | S | * | * | | | trans | -60 | 110.9 | 162.7 | -76.8 | -161.1 | 169.2 | -159.5 | -6.9 | 105.5 | C44 V48 | C44-R46 PolarHBondContact O-N 2.83Å; R46-V48 PolarHBondContact O-N 3.36Å; R46-V48 VanDerWaalsContact O-N 3.07Å |
| 47 | S | 59.4 | Low | 60 | Low | 92 Ų | 92 | 123.2 Ų | 123.2 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | | | trans | -35.1 | 117.3 | -177.5 | 49.5 | 0 | 0 | 0 | 0 | 109.7 | F45 S49 | F45-S47 PolarHBondContact O-N 2.96Å; S47-S49 PolarHBondContact O-N 3.01Å |
| 48 | V | 57.2 | Low | 59.6 | Low | 92 Ų | 92 | 124.5 Ų | 124.5 | 56% | 0.558 | 64% | 0.638 | S | S | * | * | | | trans | -75.7 | 72.3 | -179.5 | -159.3 | 0 | 0 | 0 | 0 | 105.8 | R46 M53 | R46-V48 PolarHBondContact O-N 3.36Å; R46-V48 VanDerWaalsContact O-N 3.07Å; V48-M53 HydrophobicContact CB-SD 4.35Å; V48-M53 HydrophobicContact CG1-CG 3.49Å; V48-M53 VanDerWaalsContact CG1-CG 3.49Å; V48-M53 HydrophobicContact CG1-SD 3.33Å; V48-M53 WeakPolarHBondContact CG1-SD 3.39Å |
| 49 | S | 59.7 | Low | 59.7 | Low | 36 Ų | 36 | 127.1 Ų | 127.1 | 25% | 0.252 | 64% | 0.643 | S | S | . | * | | | trans | -67.4 | 137.9 | -179.4 | 109.5 | 0 | 0 | 0 | 0 | 108.3 | S47 E51 R52 M53 | S47-S49 PolarHBondContact O-N 3.01Å; S49-E51 WeakPolarHBondContact CB-OE2 3.38Å; S49-E51 PolarHBondContact O-N 2.75Å; S49-E51 VanDerWaalsContact O-N 3.1Å; S49-E51 PolarHBondContact OG-OE2 2.93Å; S49-R52 PolarHBondContact O-N 3.04Å; S49-M53 PolarHBondContact O-N 3.24Å |
| 50 | P | 64.9 | Low | 59.6 | Low | 100 Ų | 100 | 119.2 Ų | 119.2 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -52.4 | -34.3 | -179.1 | -26.3 | 33.9 | 0 | 0 | 0 | 112.7 | R52 M53 S54 | P50-R52 VanDerWaalsContact C-N 3.28Å; P50-R52 PolarHBondContact O-N 3.31Å; P50-M53 PolarHBondContact O-N 3.19Å; P50-S54 PolarHBondContact O-N 3.14Å |
| 51 | E | 64.4 | Low | 59.6 | Low | 131 Ų | 131 | 120.5 Ų | 120.5 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.5 | -35.2 | 177.4 | -64.2 | 92.4 | 176.3 | 0 | 0 | 112.8 | S49 | S49-E51 WeakPolarHBondContact CB-OE2 3.38Å; S49-E51 PolarHBondContact O-N 2.75Å; S49-E51 VanDerWaalsContact O-N 3.1Å; S49-E51 PolarHBondContact OG-OE2 2.93Å |
| 52 | R | 61.4 | Low | 59.4 | Low | 145 Ų | 145 | 124 Ų | 124 | 55% | 0.547 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -77 | -32.2 | 177.2 | -78.3 | -171.5 | 165.1 | 163.1 | 2.9 | 112.7 | S49 P50 | S49-R52 PolarHBondContact O-N 3.04Å; P50-R52 VanDerWaalsContact C-N 3.28Å; P50-R52 PolarHBondContact O-N 3.31Å |
| 53 | M | 60.5 | Low | 59.2 | Low | 104 Ų | 104 | 127.7 Ų | 127.7 | 51% | 0.512 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.6 | -41.7 | 176.5 | -75.3 | 175.4 | 56.4 | 0 | 0 | 112.2 | V48 S49 P50 R55 R56 S57 | V48-M53 HydrophobicContact CB-SD 4.35Å; V48-M53 HydrophobicContact CG1-CG 3.49Å; V48-M53 VanDerWaalsContact CG1-CG 3.49Å; V48-M53 HydrophobicContact CG1-SD 3.33Å; V48-M53 WeakPolarHBondContact CG1-SD 3.39Å; S49-M53 PolarHBondContact O-N 3.24Å; P50-M53 PolarHBondContact O-N 3.19Å; M53-R55 VanDerWaalsContact C-N 3.31Å; M53-R55 PolarHBondContact O-N 3.22Å; M53-R56 PolarHBondContact O-N 3.34Å; M53-S57 PolarHBondContact O-N 3.38Å |
| 54 | S | 60.8 | Low | 59.3 | Low | 81 Ų | 81 | 127.3 Ų | 127.3 | 57% | 0.566 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -54.6 | -46.5 | 179.2 | 176 | 0 | 0 | 0 | 0 | 111.8 | P50 R56 S57 | P50-S54 PolarHBondContact O-N 3.14Å; S54-R56 PolarHBondContact O-N 2.8Å; S54-R56 VanDerWaalsContact O-N 3.15Å; S54-S57 WeakPolarHBondContact O-CB 3.2Å; S54-S57 PolarHBondContact O-N 2.97Å |
| 55 | R | 61.8 | Low | 59.4 | Low | 206 Ų | 206 | 128.3 Ų | 128.3 | 78% | 0.777 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.2 | -23.1 | 177.5 | -63.8 | -179.6 | -175.2 | 179.6 | 2.2 | 114.1 | M53 | M53-R55 VanDerWaalsContact C-N 3.31Å; M53-R55 PolarHBondContact O-N 3.22Å |
| 56 | R | 57.4 | Low | 59.2 | Low | 184 Ų | 184 | 121.7 Ų | 121.7 | 69% | 0.694 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -91 | -26 | 179.3 | -164.3 | -179.1 | -71.5 | 154.6 | -3 | 112.4 | M53 S54 V58 R59 | M53-R56 PolarHBondContact O-N 3.34Å; S54-R56 PolarHBondContact O-N 2.8Å; S54-R56 VanDerWaalsContact O-N 3.15Å; R56-V58 VanDerWaalsContact C-N 3.29Å; R56-V58 PolarHBondContact O-N 3.1Å; R56-R59 PolarHBondContact O-N 3.09Å; R56-R59 VanDerWaalsContact O-N 3.14Å |
| 57 | S | 57.6 | Low | 59.2 | Low | 75 Ų | 75 | 120 Ų | 120 | 52% | 0.524 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -55 | -42 | -179.7 | -179.5 | 0 | 0 | 0 | 0 | 112.8 | M53 S54 R59 S60 | M53-S57 PolarHBondContact O-N 3.38Å; S54-S57 WeakPolarHBondContact O-CB 3.2Å; S54-S57 PolarHBondContact O-N 2.97Å; S57-R59 PolarHBondContact O-N 3.26Å; S57-S60 PolarHBondContact O-N 2.8Å; S57-S60 PolarHBondContact O-OG 3.48Å |
| 58 | V | 57.3 | Low | 59.1 | Low | 124 Ų | 124 | 121 Ų | 121 | 75% | 0.752 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -23.9 | -179.5 | -175.2 | 0 | 0 | 0 | 0 | 113.1 | R56 | R56-V58 VanDerWaalsContact C-N 3.29Å; R56-V58 PolarHBondContact O-N 3.1Å |
| 59 | R | 58.6 | Low | 59 | Low | 221 Ų | 221 | 121.5 Ų | 121.5 | 83% | 0.834 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 8 | 179.2 | -67.7 | -164.1 | 166.7 | 104.3 | -1 | 114.7 | R56 S57 | R56-R59 PolarHBondContact O-N 3.09Å; R56-R59 VanDerWaalsContact O-N 3.14Å; S57-R59 PolarHBondContact O-N 3.26Å |
| 60 | S | 56.8 | Low | 58.9 | Low | 40 Ų | 40 | 124.2 Ų | 124.2 | 28% | 0.28 | 61% | 0.613 | S | S | . | * | | | trans | -115.2 | 0.1 | -170.4 | 70.3 | 0 | 0 | 0 | 0 | 115.4 | S57 D62 R63 | S57-S60 PolarHBondContact O-N 2.8Å; S57-S60 PolarHBondContact O-OG 3.48Å; S60-D62 PolarHBondContact O-N 3.01Å; S60-R63 PolarHBondContact O-N 2.81Å; S60-R63 VanDerWaalsContact O-N 3.09Å |
| 61 | S | 57.9 | Low | 58.5 | Low | 93 Ų | 93 | 124.5 Ų | 124.5 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -39.7 | 174.6 | 50.6 | 0 | 0 | 0 | 0 | 112 | R63 | S61-R63 VanDerWaalsContact C-N 3.31Å; S61-R63 PolarHBondContact O-N 3.4Å |
| 62 | D | 59 | Low | 58.2 | Low | 140 Ų | 140 | 125.9 Ų | 125.9 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -22 | -179.6 | -127.1 | -54.9 | 0 | 0 | 0 | 114.1 | S60 | S60-D62 PolarHBondContact O-N 3.01Š|
| 63 | R | 56.9 | Low | 57.9 | Low | 189 Ų | 189 | 129.5 Ų | 129.5 | 71% | 0.713 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -84.6 | -12.9 | -176.5 | -72.8 | -173.2 | -178.2 | -165.2 | -1.6 | 114.2 | S60 S61 K65 A66 | S60-R63 PolarHBondContact O-N 2.81Å; S60-R63 VanDerWaalsContact O-N 3.09Å; S61-R63 VanDerWaalsContact C-N 3.31Å; S61-R63 PolarHBondContact O-N 3.4Å; R63-K65 VanDerWaalsContact C-N 3.28Å; R63-K65 PolarHBondContact O-N 3.45Å; R63-A66 PolarHBondContact O-N 3.37Å |
| 64 | K | 60.2 | Low | 57.8 | Low | 143 Ų | 143 | 128.9 Ų | 128.9 | 62% | 0.622 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.9 | -31.8 | -179.2 | -59.3 | -157.9 | 178.3 | -172.6 | 0 | 111.8 | | |
| 65 | K | 57.3 | Low | 57.6 | Low | 142 Ų | 142 | 128 Ų | 128 | 62% | 0.617 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.4 | -26.6 | 178.3 | -60.7 | -68.1 | 155.8 | -160.2 | 0 | 113.7 | R63 L67 E68 | R63-K65 VanDerWaalsContact C-N 3.28Å; R63-K65 PolarHBondContact O-N 3.45Å; K65-L67 PolarHBondContact O-N 3.38Å; K65-E68 IonicContact NZ-OE2 3.26Å; K65-E68 PolarHBondContact NZ-OE2 3.4Å |
| 66 | A | 55.2 | Low | 57.1 | Low | 57 Ų | 57 | 127.2 Ų | 127.2 | 47% | 0.471 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.5 | -22.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R63 V70 | R63-A66 PolarHBondContact O-N 3.37Å; A66-V70 WeakPolarHBondContact O-CG2 3.36Å |
| 67 | L | 58.1 | Low | 56.6 | Low | 125 Ų | 125 | 121.6 Ų | 121.6 | 65% | 0.654 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -81.1 | -31.3 | 178.3 | -67.7 | 179.7 | 0 | 0 | 0 | 112.5 | K65 V70 | K65-L67 PolarHBondContact O-N 3.38Å; L67-V70 PolarHBondContact O-N 3.48Å |
| 68 | E | 57.6 | Low | 56.4 | Low | 113 Ų | 113 | 123.5 Ų | 123.5 | 53% | 0.528 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.2 | -39.2 | 177.7 | -65.1 | 171.5 | 173.2 | 0 | 0 | 110.7 | K65 V70 V71 | K65-E68 IonicContact NZ-OE2 3.26Å; K65-E68 PolarHBondContact NZ-OE2 3.4Å; E68-V70 PolarHBondContact O-N 3.26Å; E68-V71 PolarHBondContact O-N 3.44Å |
| 69 | D | 56.4 | Low | 56.4 | Low | 102 Ų | 102 | 126.6 Ų | 126.6 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -69 | -26.4 | 176.6 | -97.3 | 4.1 | 0 | 0 | 0 | 114.4 | | |
| 70 | V | 57.3 | Low | 56.1 | Low | 93 Ų | 93 | 124.7 Ų | 124.7 | 56% | 0.564 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.5 | -34.4 | 178.6 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | A66 L67 E68 R73 S74 | A66-V70 WeakPolarHBondContact O-CG2 3.36Å; L67-V70 PolarHBondContact O-N 3.48Å; E68-V70 PolarHBondContact O-N 3.26Å; V70-R73 PolarHBondContact O-N 3.33Å; V70-S74 PolarHBondContact O-N 3.43Å |
| 71 | V | 56.8 | Low | 56 | Low | 106 Ų | 106 | 128.5 Ų | 128.5 | 64% | 0.642 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.1 | -34.4 | -179.8 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | E68 R73 S74 | E68-V71 PolarHBondContact O-N 3.44Å; V71-R73 VanDerWaalsContact C-N 3.33Å; V71-R73 PolarHBondContact O-N 3.16Å; V71-S74 PolarHBondContact O-OG 3.48Å |
| 72 | Q | 56.3 | Low | 56 | Low | 161 Ų | 161 | 132.8 Ų | 132.8 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.3 | -27.3 | 176.7 | -69.1 | -173.2 | -6.8 | 0 | 0 | 113.1 | | |
| 73 | R | 56.1 | Low | 56 | Low | 220 Ų | 220 | 135.8 Ų | 135.8 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -85.4 | -12.9 | -180 | -71.6 | -174.5 | 173.5 | -176.1 | -0.2 | 114.5 | V70 V71 G75 | V70-R73 PolarHBondContact O-N 3.33Å; V71-R73 VanDerWaalsContact C-N 3.33Å; V71-R73 PolarHBondContact O-N 3.16Å; R73-G75 VanDerWaalsContact C-N 3.32Å; R73-G75 PolarHBondContact O-N 3.31Å |
| 74 | S | 58.1 | Low | 56.2 | Low | 91 Ų | 91 | 136.2 Ų | 136.2 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 10.1 | -179.3 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | V70 V71 H76 | V70-S74 PolarHBondContact O-N 3.43Å; V71-S74 PolarHBondContact O-OG 3.48Å; S74-H76 VanDerWaalsContact C-N 3.26Å; S74-H76 PolarHBondContact O-N 3.48Å |
| 75 | G | 56.7 | Low | 55.7 | Low | 63 Ų | 63 | 137.7 Ų | 137.7 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -73.9 | -2.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | R73 | R73-G75 VanDerWaalsContact C-N 3.32Å; R73-G75 PolarHBondContact O-N 3.31Å |
| 76 | H | 50.7 | Low | 55.4 | Low | 189 Ų | 189 | 138.6 Ų | 138.6 | 88% | 0.875 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -142.3 | 111.5 | 178 | -98.8 | 15.9 | 0 | 0 | 0 | 110.9 | S74 | S74-H76 VanDerWaalsContact C-N 3.26Å; S74-H76 PolarHBondContact O-N 3.48Å |
| 77 | G | 48.7 | Very low | 55.2 | Low | 67 Ų | 67 | 145 Ų | 145 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | | | trans | 155.9 | 100.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 78 | T | 51.8 | Low | 54.5 | Low | 114 Ų | 114 | 143.7 Ų | 143.7 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | 78.8 | 81.1 | 142.1 | 56.2 | 0 | 0 | 0 | 0 | 118.8 | F80 | T78-F80 HydrophobicContact CG2-CE2 4.48Å; T78-F80 PolarHBondContact O-N 3.43Å |
| 79 | E | 57.5 | Low | 53.8 | Low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | | | | -13.8 | 111.3 | 125.8 | -51.3 | 177.3 | -159.4 | 0 | 0 | 114.9 | | |
| 80 | F | 53.1 | Low | 53.2 | Low | 181 Ų | 181 | 150 Ų | 150 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -136.1 | 86.2 | 161.8 | -82.3 | -82.8 | 0 | 0 | 0 | 107.4 | T78 | T78-F80 HydrophobicContact CG2-CE2 4.48Å; T78-F80 PolarHBondContact O-N 3.43Å |
| 81 | N | 54 | Low | 53 | Low | 120 Ų | 120 | 152.9 Ų | 152.9 | 64% | 0.642 | 81% | 0.81 | S | S | * | * | | | | 69.8 | 101.7 | 84.5 | -160.4 | -70.3 | 0 | 0 | 0 | 113.4 | | |
| 82 | K | 57.2 | Low | 52.8 | Low | 182 Ų | 182 | 155.3 Ų | 155.3 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | | | trans | 66.2 | 85.3 | 148.1 | -60.2 | 176.8 | -162.2 | 176.7 | 0 | 117.5 | | |
| 83 | Q | 60.2 | Low | 52.6 | Low | 203 Ų | 203 | 155 Ų | 155 | 95% | 0.949 | 82% | 0.822 | S | S | * | * | | | trans | -90.3 | 136.3 | 151.8 | -146.1 | 164.6 | -10.6 | 0 | 0 | 109.2 | | |
| 84 | K | 60.4 | Low | 52.4 | Low | 198 Ų | 198 | 151.2 Ų | 151.2 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | | | trans | -72.5 | 156.8 | -159.2 | -63.6 | -171.5 | 172.1 | -173.1 | 0 | 114.2 | | |
| 85 | H | 49.7 | Very low | 52 | Low | 174 Ų | 174 | 154.9 Ų | 154.9 | 81% | 0.806 | 83% | 0.834 | S | S | * | * | | | trans | -45.9 | 129.5 | 176.2 | -153.7 | -97.4 | 0 | 0 | 0 | 113.1 | | |
| 86 | L | 52.5 | Low | 51.7 | Low | 161 Ų | 161 | 161.1 Ų | 161.1 | 84% | 0.843 | 85% | 0.846 | S | S | * | * | | | trans | -88.6 | 109.3 | 165.6 | -69.1 | 171.8 | 0 | 0 | 0 | 107.4 | A88 | L86-A88 PolarHBondContact O-N 3.45Š|
| 87 | E | 49.7 | Very low | 51.8 | Low | 191 Ų | 191 | 159.1 Ų | 159.1 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | | | trans | -74.8 | 114.9 | 158.7 | -101 | 178.2 | 157.5 | 0 | 0 | 107.6 | | |
| 88 | A | 44.1 | Very low | 52 | Low | 99 Ų | 99 | 166.2 Ų | 166.2 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | | | trans | -124.9 | 108.5 | 166 | 0 | 0 | 0 | 0 | 0 | 106.8 | L86 | L86-A88 PolarHBondContact O-N 3.45Š|
| 89 | A | 42.7 | Very low | 52 | Low | 97 Ų | 97 | 170.5 Ų | 170.5 | 80% | 0.802 | 87% | 0.868 | S | S | * | * | | | trans | -157.9 | 95.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 90 | D | 43.3 | Very low | 51.5 | Low | 250 Ų | 250 | 168.7 Ų | 168.7 | 100% | 1.337 | 87% | 0.867 | S | S | * | * | | | trans | -149.9 | 0 | 141.3 | -99.6 | -24.7 | 0 | 0 | 0 | 107.4 | | |