| 1 | M | 43.1 | Very low | 61.3 | Low | 238 Ų | 238 | 169 Ų | 169 | 100% | 1.172 | 83% | 0.834 | S | S | * | * | | | | 0 | 124.5 | 0 | -66.3 | 176.8 | 79.2 | 0 | 0 | 108.2 | N3 | M1-N3 PolarHBondContact O-N 3.29Š|
| 2 | S | 53.6 | Low | 62.1 | Low | 116 Ų | 116 | 169.9 Ų | 169.9 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | | | trans | -72.1 | 116.4 | -173 | 44.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 3 | N | 65 | Low | 62.3 | Low | 154 Ų | 154 | 172.2 Ų | 172.2 | 82% | 0.824 | 84% | 0.838 | S | S | * | * | | | trans | -104.9 | 82.5 | 156.6 | -79.5 | -39 | 0 | 0 | 0 | 107.2 | M1 K5 | M1-N3 PolarHBondContact O-N 3.29Å; N3-K5 PolarHBondContact O-N 2.98Å |
| 4 | S | 61 | Low | 62.5 | Low | 113 Ų | 113 | 170.7 Ų | 170.7 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | | | trans | -68.9 | 83.9 | 167.6 | -172.4 | 0 | 0 | 0 | 0 | 107.4 | R6 | S4-R6 VanDerWaalsContact C-N 3.26Å; S4-R6 PolarHBondContact O-N 3.4Å |
| 5 | K | 63.8 | Low | 62.8 | Low | 187 Ų | 187 | 168.5 Ų | 168.5 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | | | trans | -62.7 | 97.7 | 167 | -84.6 | 176.4 | 177.9 | 172.7 | 0 | 105.9 | N3 R7 | N3-K5 PolarHBondContact O-N 2.98Å; K5-R7 VanDerWaalsContact C-N 3.35Å; K5-R7 PolarHBondContact O-N 3.07Å |
| 6 | R | 62.7 | Low | 62.8 | Low | 235 Ų | 235 | 167.1 Ų | 167.1 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | trans | -45.7 | 99.9 | 171.3 | -179.2 | 177.4 | 134.7 | 173.5 | -1.9 | 107.8 | S4 R8 | S4-R6 VanDerWaalsContact C-N 3.26Å; S4-R6 PolarHBondContact O-N 3.4Å; R6-R8 PolarHBondContact O-N 3.07Å |
| 7 | R | 64.2 | Low | 62.7 | Low | 223 Ų | 223 | 168.5 Ų | 168.5 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 128.5 | 174.8 | -70.5 | -175.5 | 64.4 | 147.2 | -2 | 105.9 | K5 S9 | K5-R7 VanDerWaalsContact C-N 3.35Å; K5-R7 PolarHBondContact O-N 3.07Å; R7-S9 PolarHBondContact O-N 2.93Å; R7-S9 VanDerWaalsContact O-N 3.08Å |
| 8 | R | 64.8 | Low | 62.5 | Low | 237 Ų | 237 | 167.2 Ų | 167.2 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 120.1 | 169.4 | -73.4 | 176.1 | 172 | 147.2 | -2.8 | 105.6 | R6 D10 | R6-R8 PolarHBondContact O-N 3.07Å; R8-D10 PolarHBondContact O-N 3.34Å |
| 9 | S | 70 | Confident | 62.4 | Low | 98 Ų | 98 | 165.9 Ų | 165.9 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -54 | 132.1 | 171.1 | 46.8 | 0 | 0 | 0 | 0 | 107.2 | R7 V11 | R7-S9 PolarHBondContact O-N 2.93Å; R7-S9 VanDerWaalsContact O-N 3.08Å; S9-V11 PolarHBondContact O-N 3.12Å |
| 10 | D | 67.5 | Low | 62.4 | Low | 146 Ų | 146 | 164.8 Ų | 164.8 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | | | trans | -59.3 | 103.9 | 173.6 | -59.8 | -46 | 0 | 0 | 0 | 106.4 | R8 E12 | R8-D10 PolarHBondContact O-N 3.34Å; D10-E12 VanDerWaalsContact C-N 3.35Å; D10-E12 PolarHBondContact O-N 3.06Å |
| 11 | V | 59 | Low | 62.5 | Low | 112 Ų | 112 | 165.2 Ų | 165.2 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | | | trans | -70.7 | 102.5 | 172 | 173.5 | 0 | 0 | 0 | 0 | 104.2 | S9 F13 | S9-V11 PolarHBondContact O-N 3.12Å; V11-F13 PolarHBondContact O-N 2.91Å; V11-F13 VanDerWaalsContact O-N 3.09Å |
| 12 | E | 70.1 | Confident | 63.6 | Low | 180 Ų | 180 | 158.5 Ų | 158.5 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | -57.6 | 116.2 | 174.1 | -66.4 | -175 | 170.3 | 0 | 0 | 107.8 | D10 L14 | D10-E12 VanDerWaalsContact C-N 3.35Å; D10-E12 PolarHBondContact O-N 3.06Å; E12-L14 PolarHBondContact O-N 2.78Å |
| 13 | F | 64.9 | Low | 64.4 | Low | 199 Ų | 199 | 158 Ų | 158 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | | | trans | -65.2 | 107.3 | 173.9 | -71.2 | -85.7 | 0 | 0 | 0 | 107.1 | V11 E15 | V11-F13 PolarHBondContact O-N 2.91Å; V11-F13 VanDerWaalsContact O-N 3.09Å; F13-E15 PolarHBondContact O-N 3.09Å |
| 14 | L | 65 | Low | 64.4 | Low | 152 Ų | 152 | 156.5 Ų | 156.5 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | -58.4 | 112.4 | 172.4 | -169.5 | 69.8 | 0 | 0 | 0 | 107.4 | E12 L16 | E12-L14 PolarHBondContact O-N 2.78Å; L14-L16 PolarHBondContact O-N 3.21Å |
| 15 | E | 67 | Low | 64.6 | Low | 137 Ų | 137 | 156.8 Ų | 156.8 | 64% | 0.64 | 77% | 0.769 | S | S | * | * | | | trans | -59.1 | 99.9 | 175.7 | -70.7 | -177 | 176.1 | 0 | 0 | 108.1 | F13 R17 | F13-E15 PolarHBondContact O-N 3.09Å; E15-R17 HydrophobicContact CB-CG 4.17Å; E15-R17 PolarHBondContact O-N 2.8Å; E15-R17 IonicContact OE2-CZ 3.38Å; E15-R17 IonicContact OE2-NE 2.94Å; E15-R17 PolarHBondContact OE2-NE 3.15Å; E15-R17 IonicContact OE2-NH2 2.91Å; E15-R17 PolarHBondContact OE2-NH2 2.98Å |
| 16 | L | 63.2 | Low | 64.6 | Low | 146 Ų | 146 | 153.5 Ų | 153.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -70.1 | 73.1 | 168.5 | -66.7 | 174.7 | 0 | 0 | 0 | 107.7 | L14 N18 | L14-L16 PolarHBondContact O-N 3.21Å; L16-N18 PolarHBondContact O-N 3.31Å |
| 17 | R | 60.7 | Low | 64.7 | Low | 191 Ų | 191 | 149.1 Ų | 149.1 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | trans | -63.2 | 111.4 | 172.8 | -70.1 | -171.5 | -178.4 | -169.1 | 0.2 | 107.5 | E15 I19 | E15-R17 HydrophobicContact CB-CG 4.17Å; E15-R17 PolarHBondContact O-N 2.8Å; E15-R17 IonicContact OE2-CZ 3.38Å; E15-R17 IonicContact OE2-NE 2.94Å; E15-R17 PolarHBondContact OE2-NE 3.15Å; E15-R17 IonicContact OE2-NH2 2.91Å; E15-R17 PolarHBondContact OE2-NH2 2.98Å; R17-I19 PolarHBondContact O-N 3.05Å |
| 18 | N | 59 | Low | 64.4 | Low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | | | trans | 19.5 | 68.8 | 157.9 | -76.2 | -8.7 | 0 | 0 | 0 | 115.1 | L16 I20 | L16-N18 PolarHBondContact O-N 3.31Å; N18-I20 PolarHBondContact O-N 2.84Å |
| 19 | I | 61.9 | Low | 64.1 | Low | 143 Ų | 143 | 135.5 Ų | 135.5 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | | | trans | -83 | 25.6 | 160 | -38.4 | 176 | 0 | 0 | 0 | 109.1 | R17 E21 | R17-I19 PolarHBondContact O-N 3.05Å; I19-E21 PolarHBondContact O-N 2.85Å |
| 20 | I | 62.4 | Low | 63.6 | Low | 144 Ų | 144 | 137.3 Ų | 137.3 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | | | trans | -84.3 | 69.4 | 161.3 | -47.5 | 179.7 | 0 | 0 | 0 | 104.5 | N18 S22 | N18-I20 PolarHBondContact O-N 2.84Å; I20-S22 PolarHBondContact O-N 3.14Å |
| 21 | E | 64.1 | Low | 63.2 | Low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 121.1 | 161.5 | -166.1 | 169.1 | -161.3 | 0 | 0 | 105.4 | I19 | I19-E21 PolarHBondContact O-N 2.85Š|
| 22 | S | 66.6 | Low | 63 | Low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 136.8 | -179.1 | -51.4 | 0 | 0 | 0 | 0 | 108.6 | I20 | I20-S22 PolarHBondContact O-N 3.14Š|
| 23 | P | 69.5 | Low | 62.5 | Low | 105 Ų | 105 | 137.2 Ų | 137.2 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 136.5 | -177.8 | 21.9 | -32.2 | 0 | 0 | 0 | 109.2 | T25 | P23-T25 PolarHBondContact O-N 3.39Š|
| 24 | P | 65.8 | Low | 62.4 | Low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 121.3 | 178.4 | 21.5 | -31 | 0 | 0 | 0 | 108.5 | D26 | P24-D26 VanDerWaalsContact C-N 3.25Å; P24-D26 PolarHBondContact O-N 3.43Å |
| 25 | T | 64.7 | Low | 62.2 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | | | trans | -70.6 | 86.2 | 178.2 | -36.9 | 0 | 0 | 0 | 0 | 107.9 | P23 L27 | P23-T25 PolarHBondContact O-N 3.39Å; T25-L27 HydrophobicContact CG2-CD2 4.08Å; T25-L27 HydrophobicContact CG2-CG 3.98Å; T25-L27 PolarHBondContact O-N 2.92Å |
| 26 | D | 64.4 | Low | 62 | Low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | | | trans | -74.5 | 79.2 | 177.5 | -160.4 | -1.8 | 0 | 0 | 0 | 109 | P24 D28 A29 | P24-D26 VanDerWaalsContact C-N 3.25Å; P24-D26 PolarHBondContact O-N 3.43Å; D26-D28 PolarHBondContact O-N 3.23Å; D26-A29 HydrophobicContact CB-CB 4.4Å; D26-A29 PolarHBondContact O-N 3.11Å |
| 27 | L | 62.8 | Low | 62 | Low | 142 Ų | 142 | 140.8 Ų | 140.8 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -14.9 | -178.3 | -74.3 | 167.7 | 0 | 0 | 0 | 112.7 | T25 | T25-L27 HydrophobicContact CG2-CD2 4.08Å; T25-L27 HydrophobicContact CG2-CG 3.98Å; T25-L27 PolarHBondContact O-N 2.92Å |
| 28 | D | 59.7 | Low | 62.2 | Low | 114 Ų | 114 | 142.5 Ų | 142.5 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -11.7 | -178.3 | -77.9 | -23.6 | 0 | 0 | 0 | 113.8 | D26 D30 Q31 | D26-D28 PolarHBondContact O-N 3.23Å; D28-D30 PolarHBondContact O-N 3.41Å; D28-Q31 PolarHBondContact O-N 2.82Å |
| 29 | A | 57.4 | Low | 62.6 | Low | 60 Ų | 60 | 143.2 Ų | 143.2 | 50% | 0.496 | 74% | 0.737 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.5 | -32.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D26 N32 | D26-A29 HydrophobicContact CB-CB 4.4Å; D26-A29 PolarHBondContact O-N 3.11Å; A29-N32 PolarHBondContact O-N 2.66Å |
| 30 | D | 59.1 | Low | 62.9 | Low | 137 Ų | 137 | 147.2 Ų | 147.2 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -20.6 | -176.9 | -121.2 | 22.1 | 0 | 0 | 0 | 113.3 | D28 I33 | D28-D30 PolarHBondContact O-N 3.41Å; D30-I33 WeakPolarHBondContact O-CG1 3.42Å |
| 31 | Q | 58.8 | Low | 63.2 | Low | 168 Ų | 168 | 152.1 Ų | 152.1 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -20.8 | 175.6 | -66.3 | -144 | 13.7 | 0 | 0 | 113.1 | D28 I33 | D28-Q31 PolarHBondContact O-N 2.82Å; Q31-I33 PolarHBondContact O-N 2.95Å |
| 32 | N | 56 | Low | 63.2 | Low | 133 Ų | 133 | 150.4 Ų | 150.4 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 40.8 | 174.9 | -80.6 | -43 | 0 | 0 | 0 | 112.2 | A29 R34 | A29-N32 PolarHBondContact O-N 2.66Å; N32-R34 PolarHBondContact O-N 3.19Å |
| 33 | I | 59.9 | Low | 63 | Low | 134 Ų | 134 | 151.4 Ų | 151.4 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | | | trans | -60.3 | 91.7 | 161.8 | -60.3 | 171.6 | 0 | 0 | 0 | 106.4 | D30 Q31 K35 | D30-I33 WeakPolarHBondContact O-CG1 3.42Å; Q31-I33 PolarHBondContact O-N 2.95Å; I33-K35 PolarHBondContact O-N 3.34Å |
| 34 | R | 62.1 | Low | 62.8 | Low | 231 Ų | 231 | 152.8 Ų | 152.8 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | trans | -49.5 | 101.4 | -178.2 | -158.4 | 176.6 | -162.1 | 173.5 | 4.7 | 105.8 | N32 S36 | N32-R34 PolarHBondContact O-N 3.19Å; R34-S36 PolarHBondContact O-N 3.31Å |
| 35 | K | 61.2 | Low | 62.5 | Low | 195 Ų | 195 | 152.8 Ų | 152.8 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | trans | -60.4 | 88.8 | 172.3 | -71.7 | 179.9 | -178.1 | 175.5 | 0 | 106.1 | I33 K37 | I33-K35 PolarHBondContact O-N 3.34Å; K35-K37 PolarHBondContact O-N 2.83Å |
| 36 | S | 62.7 | Low | 62.5 | Low | 100 Ų | 100 | 154.1 Ų | 154.1 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | trans | -71.7 | 88.3 | 176.6 | 55.3 | 0 | 0 | 0 | 0 | 105.9 | R34 R38 | R34-S36 PolarHBondContact O-N 3.31Å; S36-R38 PolarHBondContact O-N 3Å |
| 37 | K | 63.5 | Low | 62.1 | Low | 184 Ų | 184 | 153.5 Ų | 153.5 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | -62.4 | 97.8 | 162.4 | -71.6 | -173.5 | 179.8 | -179.7 | 0 | 105 | K35 L39 | K35-K37 PolarHBondContact O-N 2.83Å; K37-L39 VanDerWaalsContact C-N 3.28Å; K37-L39 PolarHBondContact O-N 2.65Å |
| 38 | R | 63.9 | Low | 61.9 | Low | 227 Ų | 227 | 154.9 Ų | 154.9 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | trans | -57.6 | 101.7 | 166.6 | -74 | -178.9 | 173.6 | -173.8 | -1.9 | 105.4 | S36 R40 | S36-R38 PolarHBondContact O-N 3Å; R38-R40 PolarHBondContact O-N 3.41Å |
| 39 | L | 67.7 | Low | 61.9 | Low | 160 Ų | 160 | 154.8 Ų | 154.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -56.9 | 113.1 | 170 | -67.8 | 172.8 | 0 | 0 | 0 | 105 | K37 R41 | K37-L39 VanDerWaalsContact C-N 3.28Å; K37-L39 PolarHBondContact O-N 2.65Å; L39-R41 PolarHBondContact O-N 2.96Å |
| 40 | R | 68.4 | Low | 62.1 | Low | 226 Ų | 226 | 160.6 Ų | 160.6 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -56.2 | 128.4 | 167.6 | -73.5 | -175.8 | 167.9 | 142.3 | -2.2 | 104.6 | R38 D42 | R38-R40 PolarHBondContact O-N 3.41Å; R40-D42 PolarHBondContact O-N 2.94Å |
| 41 | R | 67.8 | Low | 61.9 | Low | 248 Ų | 248 | 161.8 Ų | 161.8 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | | | trans | -59.3 | 99.6 | 170.8 | -90.4 | 177.9 | 171.8 | 146.4 | -2.8 | 105.5 | L39 S43 | L39-R41 PolarHBondContact O-N 2.96Å; R41-S43 PolarHBondContact O-N 3.18Å |
| 42 | D | 66.1 | Low | 62.1 | Low | 138 Ų | 138 | 163.3 Ų | 163.3 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | | | trans | -57.2 | 116.9 | 164.3 | -65.8 | -29.8 | 0 | 0 | 0 | 104.7 | R40 I44 | R40-D42 PolarHBondContact O-N 2.94Å; D42-I44 PolarHBondContact O-N 3.47Å |
| 43 | S | 62.2 | Low | 62.8 | Low | 117 Ų | 117 | 165.9 Ų | 165.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -67.8 | 84.6 | 178.5 | 52.3 | 0 | 0 | 0 | 0 | 107.3 | R41 C45 | R41-S43 PolarHBondContact O-N 3.18Å; S43-C45 VanDerWaalsContact C-N 3.33Å; S43-C45 PolarHBondContact O-N 3.5Å |
| 44 | I | 64.4 | Low | 63.3 | Low | 134 Ų | 134 | 165 Ų | 165 | 69% | 0.687 | 82% | 0.819 | S | S | * | * | | | trans | -68.7 | 101.5 | 168.4 | -58.3 | 174.7 | 0 | 0 | 0 | 104.9 | D42 L46 | D42-I44 PolarHBondContact O-N 3.47Å; I44-L46 VanDerWaalsContact C-N 3.27Å; I44-L46 HydrophobicContact CG2-CD2 3.96Å; I44-L46 HydrophobicContact CG2-CG 4.47Å; I44-L46 PolarHBondContact O-N 3.18Å |
| 45 | C | 60.7 | Low | 63.8 | Low | 124 Ų | 124 | 159.5 Ų | 159.5 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -67.2 | 92.3 | 172.2 | -160.8 | 0 | 0 | 0 | 0 | 106.7 | S43 S47 | S43-C45 VanDerWaalsContact C-N 3.33Å; S43-C45 PolarHBondContact O-N 3.5Å; C45-S47 PolarHBondContact O-N 2.87Å |
| 46 | L | 63.9 | Low | 64.5 | Low | 145 Ų | 145 | 159.5 Ų | 159.5 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | | | trans | -65.7 | 110.7 | 174.8 | -66.7 | 174.7 | 0 | 0 | 0 | 107.1 | I44 N48 | I44-L46 VanDerWaalsContact C-N 3.27Å; I44-L46 HydrophobicContact CG2-CD2 3.96Å; I44-L46 HydrophobicContact CG2-CG 4.47Å; I44-L46 PolarHBondContact O-N 3.18Å; L46-N48 PolarHBondContact O-N 3.31Å |
| 47 | S | 56.2 | Low | 65 | Low | 106 Ų | 106 | 160.6 Ų | 160.6 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | | | trans | -50.9 | 129.8 | 172.4 | 44 | 0 | 0 | 0 | 0 | 110.3 | C45 S49 | C45-S47 PolarHBondContact O-N 2.87Å; S47-S49 PolarHBondContact O-N 3.32Å |
| 48 | N | 59.1 | Low | 65.4 | Low | 171 Ų | 171 | 157.6 Ų | 157.6 | 91% | 0.914 | 82% | 0.823 | S | S | * | * | | | trans | -47.3 | 100 | 179.9 | -61 | -28.8 | 0 | 0 | 0 | 111.5 | L46 | L46-N48 PolarHBondContact O-N 3.31Š|
| 49 | S | 59.4 | Low | 65.8 | Low | 113 Ų | 113 | 158.1 Ų | 158.1 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | | | trans | -90.5 | 134.3 | 161.6 | 57.8 | 0 | 0 | 0 | 0 | 108.7 | S47 N51 | S47-S49 PolarHBondContact O-N 3.32Å; S49-N51 PolarHBondContact O-N 2.89Å |
| 50 | E | 60.1 | Low | 66.2 | Low | 181 Ų | 181 | 154.5 Ų | 154.5 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | | | trans | -48.3 | 122 | -172.6 | -74.3 | 171.8 | 130.5 | 0 | 0 | 113.7 | K52 | E50-K52 PolarHBondContact O-N 3.43Š|
| 51 | N | 56.1 | Low | 66.6 | Low | 163 Ų | 163 | 149.5 Ų | 149.5 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | trans | 21.8 | 77.7 | 136.5 | -64.6 | -31.4 | 0 | 0 | 0 | 116.2 | S49 | S49-N51 PolarHBondContact O-N 2.89Š|
| 52 | K | 63 | Low | 66.8 | Low | 199 Ų | 199 | 147.4 Ų | 147.4 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | | | trans | -115.3 | 102.2 | 145 | -68.9 | -154.3 | 177.8 | -171.4 | 0 | 107.9 | E50 P54 | E50-K52 PolarHBondContact O-N 3.43Å; K52-P54 WeakPolarHBondContact O-CD 3.1Å |
| 53 | E | 70.1 | Confident | 67 | Low | 188 Ų | 188 | 152.4 Ų | 152.4 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 121.3 | 172.7 | -158.8 | -176.5 | 178 | 0 | 0 | 107.8 | S55 | E53-S55 PolarHBondContact O-N 3.28Å; E53-S55 VanDerWaalsContact O-N 3.12Å |
| 54 | P | 70.3 | Confident | 67.4 | Low | 116 Ų | 116 | 156.9 Ų | 156.9 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 118.3 | -178.4 | 23.6 | -30.6 | 0 | 0 | 0 | 108.7 | K52 K56 | K52-P54 WeakPolarHBondContact O-CD 3.1Å; P54-K56 PolarHBondContact O-N 3.27Å |
| 55 | S | 73.4 | Confident | 67.7 | Low | 114 Ų | 114 | 155 Ų | 155 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 131.6 | 173.6 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | E53 | E53-S55 PolarHBondContact O-N 3.28Å; E53-S55 VanDerWaalsContact O-N 3.12Å |
| 56 | K | 75.2 | Confident | 67.9 | Low | 196 Ų | 196 | 154.5 Ų | 154.5 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.1 | 179.8 | -70.9 | 173.4 | -177.1 | 170.5 | 0 | 108.9 | P54 S58 | P54-K56 PolarHBondContact O-N 3.27Å; K56-S58 PolarHBondContact O-N 3.41Å; K56-S58 VanDerWaalsContact O-N 3.09Å |
| 57 | P | 73.8 | Confident | 67.8 | Low | 122 Ų | 122 | 158.2 Ų | 158.2 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 121.1 | 176.5 | 23.1 | -31.5 | 0 | 0 | 0 | 109.2 | R59 | P57-R59 PolarHBondContact O-N 3.31Å; P57-R59 VanDerWaalsContact O-N 3.15Å |
| 58 | S | 72.5 | Confident | 68.1 | Low | 122 Ų | 122 | 158.5 Ų | 158.5 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | | | trans | -62.9 | 114.4 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | K56 A60 | K56-S58 PolarHBondContact O-N 3.41Å; K56-S58 VanDerWaalsContact O-N 3.09Å; S58-A60 PolarHBondContact O-N 3.12Å |
| 59 | R | 71.2 | Confident | 68.3 | Low | 237 Ų | 237 | 156.2 Ų | 156.2 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 116.4 | 177.5 | -88.2 | -178.9 | 175 | 166.6 | -0.5 | 109 | P57 | P57-R59 PolarHBondContact O-N 3.31Å; P57-R59 VanDerWaalsContact O-N 3.15Å |
| 60 | A | 75.9 | Confident | 68.3 | Low | 84 Ų | 84 | 159 Ų | 159 | 69% | 0.694 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -57 | 146.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S58 K62 | S58-A60 PolarHBondContact O-N 3.12Å; A60-K62 PolarHBondContact O-N 3.13Å |
| 61 | P | 77.2 | Confident | 68.1 | Low | 122 Ų | 122 | 159.7 Ų | 159.7 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 135.3 | 177.6 | -22.4 | 31.7 | 0 | 0 | 0 | 111.8 | R63 | P61-R63 PolarHBondContact O-N 3.07Š|
| 62 | K | 72.7 | Confident | 68.2 | Low | 203 Ų | 203 | 159.7 Ų | 159.7 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120.7 | 172.4 | -67.6 | -179.3 | 179 | 179.6 | 0 | 108.8 | A60 K64 | A60-K62 PolarHBondContact O-N 3.13Å; K62-K64 PolarHBondContact O-N 3.09Å |
| 63 | R | 69.7 | Low | 67.8 | Low | 244 Ų | 244 | 157.9 Ų | 157.9 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 126.3 | 172.4 | -61.6 | 178.9 | 85.3 | 170.7 | 6.4 | 108.3 | P61 S65 | P61-R63 PolarHBondContact O-N 3.07Å; R63-S65 PolarHBondContact O-N 3.24Å |
| 64 | K | 70.5 | Confident | 66.6 | Low | 210 Ų | 210 | 156.7 Ų | 156.7 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | | | trans | -67.9 | 113 | 170.2 | -67.9 | -179 | -179.9 | -179.6 | 0 | 107.6 | K62 | K62-K64 PolarHBondContact O-N 3.09Š|
| 65 | S | 70 | Confident | 65.4 | Low | 94 Ų | 94 | 155.1 Ų | 155.1 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | | | trans | -76.2 | 124.1 | 169.1 | 171.1 | 0 | 0 | 0 | 0 | 108.1 | R63 R67 | R63-S65 PolarHBondContact O-N 3.24Å; S65-R67 PolarHBondContact O-N 2.86Å; S65-R67 WeakPolarHBondContact OG-CB 3.42Å; S65-R67 PolarHBondContact OG-N 3.31Å |
| 66 | S | 65.3 | Low | 64.1 | Low | 114 Ų | 114 | 155 Ų | 155 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | -82.8 | 8.9 | 170.1 | 58 | 0 | 0 | 0 | 0 | 112.7 | C68 | S66-C68 PolarHBondContact O-N 3.26Š|
| 67 | R | 62.6 | Low | 62.6 | Low | 224 Ų | 224 | 150.8 Ų | 150.8 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | -62.6 | 106.6 | 177 | -86.3 | -174.3 | 175 | 177.6 | -1 | 109.5 | S65 | S65-R67 PolarHBondContact O-N 2.86Å; S65-R67 WeakPolarHBondContact OG-CB 3.42Å; S65-R67 PolarHBondContact OG-N 3.31Å |
| 68 | C | 62.3 | Low | 61.1 | Low | 111 Ų | 111 | 154.3 Ų | 154.3 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 136.8 | 166.8 | -54.8 | 0 | 0 | 0 | 0 | 108.8 | S66 L70 | S66-C68 PolarHBondContact O-N 3.26Å; C68-L70 PolarHBondContact O-N 2.86Å |
| 69 | P | 62.9 | Low | 59.7 | Low | 123 Ų | 123 | 152.4 Ų | 152.4 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 136 | 174.5 | 22.6 | -30.5 | 0 | 0 | 0 | 110.1 | K71 | P69-K71 PolarHBondContact O-N 3.13Š|
| 70 | L | 59.2 | Low | 58 | Low | 171 Ų | 171 | 152.3 Ų | 152.3 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 126 | 175.8 | -69.8 | 167 | 0 | 0 | 0 | 108.6 | C68 Q72 | C68-L70 PolarHBondContact O-N 2.86Å; L70-Q72 PolarHBondContact O-N 3.07Å; L70-Q72 VanDerWaalsContact O-N 3.09Å |
| 71 | K | 57.1 | Low | 56.3 | Low | 197 Ų | 197 | 155.4 Ų | 155.4 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -60.3 | 114.3 | 171.4 | -78.9 | -179.9 | 171.2 | 178.3 | 0 | 108.3 | P69 I73 | P69-K71 PolarHBondContact O-N 3.13Å; K71-I73 PolarHBondContact O-N 3.2Å; K71-I73 VanDerWaalsContact O-N 3.13Å |
| 72 | Q | 56.9 | Low | 54.5 | Low | 163 Ų | 163 | 157.5 Ų | 157.5 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -65.6 | 107.7 | 172.9 | -124.6 | 177.3 | -18.3 | 0 | 0 | 108.1 | L70 F74 | L70-Q72 PolarHBondContact O-N 3.07Å; L70-Q72 VanDerWaalsContact O-N 3.09Å; Q72-F74 HydrophobicContact CB-CD2 4.2Å; Q72-F74 HydrophobicContact CB-CE2 4.09Å; Q72-F74 HydrophobicContact CG-CE2 4.31Å; Q72-F74 PolarHBondContact O-N 3.27Å; Q72-F74 VanDerWaalsContact O-N 3.07Å |
| 73 | I | 54.9 | Low | 52.7 | Low | 160 Ų | 160 | 153.5 Ų | 153.5 | 82% | 0.821 | 79% | 0.788 | S | S | * | * | | | trans | -77.2 | 92.8 | 173 | -56.9 | 169.9 | 0 | 0 | 0 | 106.2 | K71 S75 | K71-I73 PolarHBondContact O-N 3.2Å; K71-I73 VanDerWaalsContact O-N 3.13Å; I73-S75 PolarHBondContact O-N 3.05Å; I73-S75 VanDerWaalsContact O-N 3.12Å |
| 74 | F | 45 | Very low | 51.2 | Low | 164 Ų | 164 | 150.3 Ų | 150.3 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -70.4 | 101.8 | 166.2 | -84.6 | -90.7 | 0 | 0 | 0 | 107.9 | Q72 P76 | Q72-F74 HydrophobicContact CB-CD2 4.2Å; Q72-F74 HydrophobicContact CB-CE2 4.09Å; Q72-F74 HydrophobicContact CG-CE2 4.31Å; Q72-F74 PolarHBondContact O-N 3.27Å; Q72-F74 VanDerWaalsContact O-N 3.07Å; F74-P76 WeakPolarHBondContact O-CD 3.39Å |
| 75 | S | 44.6 | Very low | 49.4 | Very low | 82 Ų | 82 | 148 Ų | 148 | 57% | 0.573 | 78% | 0.78 | S | S | * | * | | | trans | -80 | 113.8 | 162.6 | 170.4 | 0 | 0 | 0 | 0 | 107.6 | I73 V77 | I73-S75 PolarHBondContact O-N 3.05Å; I73-S75 VanDerWaalsContact O-N 3.12Å; S75-V77 PolarHBondContact O-N 2.9Å; S75-V77 VanDerWaalsContact O-N 3.13Å |
| 76 | P | 47 | Very low | 47.6 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -79.1 | 13 | -172.8 | 30.3 | -32.2 | 0 | 0 | 0 | 114.2 | F74 F78 | F74-P76 WeakPolarHBondContact O-CD 3.39Å; P76-F78 VanDerWaalsContact C-N 3.3Å; P76-F78 PolarHBondContact O-N 3.06Å |
| 77 | V | 43.7 | Very low | 45.8 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 65% | 0.648 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -75.2 | -13.3 | -168.7 | -175.4 | 0 | 0 | 0 | 0 | 114 | S75 | S75-V77 PolarHBondContact O-N 2.9Å; S75-V77 VanDerWaalsContact O-N 3.13Å |
| 78 | F | 42.8 | Very low | 44.5 | Very low | 197 Ų | 197 | 147.3 Ų | 147.3 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -112.9 | 16.3 | -174.6 | -84.6 | -82.1 | 0 | 0 | 0 | 116.1 | P76 W80 | P76-F78 VanDerWaalsContact C-N 3.3Å; P76-F78 PolarHBondContact O-N 3.06Å; F78-W80 VanDerWaalsContact C-N 3.28Å; F78-W80 PolarHBondContact O-N 2.76Å |
| 79 | A | 43.4 | Very low | 43.3 | Very low | 82 Ų | 82 | 150.1 Ų | 150.1 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -82.9 | 8.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 80 | W | 33.9 | Very low | 41.9 | Very low | 235 Ų | 235 | 153.3 Ų | 153.3 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -85.9 | -1.7 | -167.9 | -83.2 | 3 | 0 | 0 | 0 | 117.7 | F78 | F78-W80 VanDerWaalsContact C-N 3.28Å; F78-W80 PolarHBondContact O-N 2.76Å |
| 81 | N | 40.6 | Very low | 40.8 | Very low | 148 Ų | 148 | 155.5 Ų | 155.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -147.8 | 50.9 | -179.1 | -72.7 | -55 | 0 | 0 | 0 | 114.7 | P83 | N81-P83 WeakPolarHBondContact O-CD 3.21Š|
| 82 | L | 38.5 | Very low | 39.9 | Very low | 166 Ų | 166 | 154.6 Ų | 154.6 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | -102.4 | 96 | 162.7 | -138.1 | 75.6 | 0 | 0 | 0 | 109.9 | H84 | L82-H84 PolarHBondContact O-N 2.85Š|
| 83 | P | 36.6 | Very low | 39 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -59.9 | 129.3 | 174.9 | 21 | -29.3 | 0 | 0 | 0 | 110.3 | N81 L85 | N81-P83 WeakPolarHBondContact O-CD 3.21Å; P83-L85 PolarHBondContact O-N 2.94Å |
| 84 | H | 36.9 | Very low | 38 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -29.7 | 121 | 175.8 | -110.3 | -103.3 | 0 | 0 | 0 | 114.7 | L82 V86 | L82-H84 PolarHBondContact O-N 2.85Å; H84-V86 PolarHBondContact O-N 2.91Å |
| 85 | L | 33.7 | Very low | 37.3 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -42.8 | 104.1 | 153.6 | -77.7 | 141.9 | 0 | 0 | 0 | 110.4 | P83 C87 | P83-L85 PolarHBondContact O-N 2.94Å; L85-C87 PolarHBondContact O-N 3.01Å |
| 86 | V | 30.9 | Very low | 36.9 | Very low | 121 Ų | 121 | 157.4 Ų | 157.4 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | -90 | 91.2 | 157.6 | -176.1 | 0 | 0 | 0 | 0 | 106.4 | H84 K88 | H84-V86 PolarHBondContact O-N 2.91Å; V86-K88 HydrophobicContact CG1-CD 4.41Å; V86-K88 HydrophobicContact CG1-CG 4.3Å; V86-K88 PolarHBondContact O-N 3.09Å; V86-K88 VanDerWaalsContact O-N 3.11Å |
| 87 | C | 27.6 | Very low | 36 | Very low | 122 Ų | 122 | 159.8 Ų | 159.8 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -71.5 | 95.9 | 170.8 | -148 | 0 | 0 | 0 | 0 | 107.8 | L85 | L85-C87 PolarHBondContact O-N 3.01Š|
| 88 | K | 35.6 | Very low | 35.5 | Very low | 175 Ų | 175 | 159.1 Ų | 159.1 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | -129.9 | 88.5 | 168.6 | -88.6 | -174 | 175.2 | 179.6 | 0 | 110 | V86 | V86-K88 HydrophobicContact CG1-CD 4.41Å; V86-K88 HydrophobicContact CG1-CG 4.3Å; V86-K88 PolarHBondContact O-N 3.09Å; V86-K88 VanDerWaalsContact O-N 3.11Å |
| 89 | E | 36.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 158.6 Ų | 158.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | | 60.7 | 91.9 | 122.5 | -145.3 | 165.4 | -165.7 | 0 | 0 | 117.5 | R91 | E89-R91 PolarHBondContact O-N 3Š|
| 90 | H | 34.2 | Very low | 34.6 | Very low | 190 Ų | 190 | 166 Ų | 166 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | | | trans | 33.1 | 62.2 | 132.3 | -87.3 | -80.9 | 0 | 0 | 0 | 118.8 | | |
| 91 | R | 36.6 | Very low | 34.7 | Very low | 218 Ų | 218 | 158.9 Ų | 158.9 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | | | trans | -143.8 | 103 | 153.8 | -71.3 | -163.2 | 179.8 | -177.1 | 2.3 | 113.2 | E89 | E89-R91 PolarHBondContact O-N 3Š|
| 92 | K | 38.5 | Very low | 34.4 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | 62.5 | 115.9 | 135.2 | -55.4 | 176.4 | -176.4 | -177.4 | 0 | 117.4 | | |
| 93 | N | 37.7 | Very low | 34.5 | Very low | 159 Ų | 159 | 159.2 Ų | 159.2 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | trans | 61.3 | 64 | 148 | -61.5 | -8.3 | 0 | 0 | 0 | 117.2 | | |
| 94 | L | 33.7 | Very low | 34.4 | Very low | 137 Ų | 137 | 157 Ų | 157 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | | | trans | -98 | 100.1 | 152.5 | -101.8 | 130.6 | 0 | 0 | 0 | 109.2 | F96 | L94-F96 HydrophobicContact CB-CD2 3.69Å; L94-F96 HydrophobicContact CB-CE2 3.67Å; L94-F96 HydrophobicContact CD1-CE2 4.46Å; L94-F96 HydrophobicContact CD2-CD2 4.14Å; L94-F96 HydrophobicContact CD2-CE2 3.72Å; L94-F96 HydrophobicContact CD2-CZ 4.08Å; L94-F96 HydrophobicContact CG-CE2 4.14Å; L94-F96 PolarHBondContact O-N 3.04Å |
| 95 | I | 30.4 | Very low | 34.2 | Very low | 153 Ų | 153 | 157 Ų | 157 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -56.3 | 91.6 | 155.8 | -63.1 | 162.9 | 0 | 0 | 0 | 105.8 | H97 | I95-H97 PolarHBondContact O-N 2.89Š|
| 96 | F | 35.9 | Very low | 34.5 | Very low | 180 Ų | 180 | 155 Ų | 155 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | | | trans | -84.6 | 95.7 | 170.7 | -95.1 | -83.9 | 0 | 0 | 0 | 108.3 | L94 | L94-F96 HydrophobicContact CB-CD2 3.69Å; L94-F96 HydrophobicContact CB-CE2 3.67Å; L94-F96 HydrophobicContact CD1-CE2 4.46Å; L94-F96 HydrophobicContact CD2-CD2 4.14Å; L94-F96 HydrophobicContact CD2-CE2 3.72Å; L94-F96 HydrophobicContact CD2-CZ 4.08Å; L94-F96 HydrophobicContact CG-CE2 4.14Å; L94-F96 PolarHBondContact O-N 3.04Å |
| 97 | H | 27.8 | Very low | 34.7 | Very low | 162 Ų | 162 | 154 Ų | 154 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | | | trans | -108.4 | 152.9 | 158 | -128.4 | -87.9 | 0 | 0 | 0 | 106.4 | I95 | I95-H97 PolarHBondContact O-N 2.89Š|
| 98 | P | 33.5 | Very low | 35.2 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 60% | 0.597 | 77% | 0.771 | S | S | * | * | S | Bend | cis | -122.7 | 170.8 | -30.9 | 23.7 | -2.6 | 0 | 0 | 0 | 111.9 | | |
| 99 | F | 30.8 | Very low | 35.2 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | | | trans | 58.9 | 79.6 | 145.7 | -98.7 | -109.3 | 0 | 0 | 0 | 117.7 | | |
| 100 | Y | 35.7 | Very low | 35 | Very low | 238 Ų | 238 | 152.7 Ų | 152.7 | 93% | 0.933 | 77% | 0.773 | S | S | * | * | | | trans | -111.4 | 110.8 | 141.2 | -93.9 | -88 | 0 | 0 | 0 | 108.9 | | |
| 101 | P | 36.1 | Very low | 34.6 | Very low | 85 Ų | 85 | 153.4 Ų | 153.4 | 55% | 0.552 | 77% | 0.774 | S | S | * | * | | | trans | -82.8 | 150.7 | -178.4 | 33.4 | -32 | 0 | 0 | 0 | 111.7 | Y103 | P101-Y103 PolarHBondContact O-N 3.36Š|
| 102 | A | 34.7 | Very low | 34.6 | Very low | 101 Ų | 101 | 154.3 Ų | 154.3 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | 75.1 | 7.9 | 141.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 103 | Y | 40.3 | Very low | 34.4 | Very low | 220 Ų | 220 | 153.2 Ų | 153.2 | 86% | 0.863 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -96.1 | 98.3 | 158.8 | -67.4 | -75.7 | 0 | 0 | 0 | 108.8 | P101 M105 | P101-Y103 PolarHBondContact O-N 3.36Å; Y103-M105 PolarHBondContact O-N 3.29Å |
| 104 | G | 35.8 | Very low | 34.2 | Very low | 72 Ų | 72 | 152.8 Ų | 152.8 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | -41.4 | 103.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V106 | G104-V106 VanDerWaalsContact C-N 3.31Å; G104-V106 PolarHBondContact O-N 3.08Å |
| 105 | M | 33.1 | Very low | 34.3 | Very low | 179 Ų | 179 | 153.7 Ų | 153.7 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | | | trans | -65.5 | 102.6 | 163.2 | -73.4 | -160.7 | 76.4 | 0 | 0 | 105.9 | Y103 P107 | Y103-M105 PolarHBondContact O-N 3.29Å; M105-P107 WeakPolarHBondContact O-CD 3.38Å; M105-P107 VanDerWaalsContact O-N 3.17Å |
| 106 | V | 38.8 | Very low | 34.5 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | | | trans | -57.3 | 111.4 | 163.2 | 178.7 | 0 | 0 | 0 | 0 | 105.7 | G104 C108 | G104-V106 VanDerWaalsContact C-N 3.31Å; G104-V106 PolarHBondContact O-N 3.08Å; V106-C108 PolarHBondContact O-N 2.81Å |
| 107 | P | 36.1 | Very low | 34.4 | Very low | 101 Ų | 101 | 152.1 Ų | 152.1 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | | | trans | -66 | 106.7 | 167.4 | 26.6 | -28.9 | 0 | 0 | 0 | 106.7 | M105 I109 | M105-P107 WeakPolarHBondContact O-CD 3.38Å; M105-P107 VanDerWaalsContact O-N 3.17Å; P107-I109 PolarHBondContact O-N 2.86Å |
| 108 | C | 37.8 | Very low | 34.8 | Very low | 102 Ų | 102 | 151.5 Ų | 151.5 | 69% | 0.689 | 80% | 0.802 | S | S | * | * | | | trans | -65.8 | 92.9 | 161.4 | -68.4 | 0 | 0 | 0 | 0 | 106.6 | V106 F110 | V106-C108 PolarHBondContact O-N 2.81Å; C108-F110 PolarHBondContact O-N 3.42Å; C108-F110 VanDerWaalsContact O-N 3.14Å |
| 109 | I | 34.1 | Very low | 34.9 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | | | trans | -71.6 | 105.4 | 168.8 | -52.3 | 172.6 | 0 | 0 | 0 | 105.4 | P107 F111 | P107-I109 PolarHBondContact O-N 2.86Å; I109-F111 PolarHBondContact O-N 2.85Å |
| 110 | F | 32.5 | Very low | 35.2 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | | | trans | -61.8 | 125.4 | 172 | -82.5 | -96.8 | 0 | 0 | 0 | 108.7 | C108 | C108-F110 PolarHBondContact O-N 3.42Å; C108-F110 VanDerWaalsContact O-N 3.14Å |
| 111 | F | 27.4 | Very low | 35.2 | Very low | 206 Ų | 206 | 146.3 Ų | 146.3 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | | | trans | -79.9 | 110.1 | 159.6 | -91.4 | -94.4 | 0 | 0 | 0 | 107 | I109 | I109-F111 PolarHBondContact O-N 2.85Š|
| 112 | D | 35.9 | Very low | 35.1 | Very low | 236 Ų | 236 | 151.9 Ų | 151.9 | 100% | 1.262 | 83% | 0.83 | S | S | * | * | | | trans | -149.3 | 0 | 142.1 | -113.7 | -30.6 | 0 | 0 | 0 | 108.4 | | |