| 1 | M | 46.7 | Very low | 69.2 | Low | 246 Ų | 246 | 144.6 Ų | 144.6 | 100% | 1.212 | 79% | 0.79 | S | S | * | * | | | | 0 | 112.6 | 0 | -65.9 | 170.2 | -166 | 0 | 0 | 107 | | |
| 2 | S | 53.1 | Low | 69.5 | Low | 121 Ų | 121 | 148.9 Ų | 148.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -88.5 | 113.1 | -176.6 | -48.9 | 0 | 0 | 0 | 0 | 108.9 | V4 | S2-V4 PolarHBondContact O-N 3.35Š|
| 3 | N | 64.5 | Low | 70.1 | Confident | 158 Ų | 158 | 154.8 Ų | 154.8 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | -84.2 | 102.7 | -178.3 | -165.6 | -26.6 | 0 | 0 | 0 | 109.1 | | |
| 4 | V | 72 | Confident | 70.5 | Confident | 112 Ų | 112 | 151.4 Ų | 151.4 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | | | trans | -97.6 | 100.8 | 173.2 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | S2 Y6 | S2-V4 PolarHBondContact O-N 3.35Å; V4-Y6 PolarHBondContact O-N 3.47Å |
| 5 | G | 73.1 | Confident | 71 | Confident | 60 Ų | 60 | 147.5 Ų | 147.5 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | | | trans | -75.5 | 117.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I7 | G5-I7 PolarHBondContact O-N 3.42Š|
| 6 | Y | 76.6 | Confident | 71.6 | Confident | 224 Ų | 224 | 142.9 Ų | 142.9 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | | | trans | -76.3 | 111.3 | 168.9 | -88.6 | -97.6 | 0 | 0 | 0 | 109.1 | V4 | V4-Y6 PolarHBondContact O-N 3.47Š|
| 7 | I | 75.6 | Confident | 72 | Confident | 153 Ų | 153 | 140.4 Ų | 140.4 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -88.9 | 110.8 | 166.6 | -57.9 | 173.9 | 0 | 0 | 0 | 107.3 | G5 T9 | G5-I7 PolarHBondContact O-N 3.42Å; I7-T9 HydrophobicContact CG2-CG2 4.02Å |
| 8 | S | 73.7 | Confident | 72.6 | Confident | 86 Ų | 86 | 139.4 Ų | 139.4 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | | | trans | -92 | 113.2 | 168.5 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | F10 | S8-F10 PolarHBondContact O-N 3.43Å; S8-F10 VanDerWaalsContact OG-CD2 3.22Å; S8-F10 WeakPolarHBondContact OG-CD2 3.03Å; S8-F10 WeakPolarHBondContact OG-CE2 3.22Å |
| 9 | T | 74.9 | Confident | 73.2 | Confident | 107 Ų | 107 | 141 Ų | 141 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | | | trans | -94.2 | 80.3 | 174.1 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | I7 N11 | I7-T9 HydrophobicContact CG2-CG2 4.02Å; T9-N11 PolarHBondContact O-N 3.4Å; T9-N11 PolarHBondContact O-ND2 2.91Å; T9-N11 VanDerWaalsContact C-N 3.35Å |
| 10 | F | 76.1 | Confident | 73.7 | Confident | 176 Ų | 176 | 141.4 Ų | 141.4 | 77% | 0.772 | 76% | 0.756 | S | S | * | * | | | trans | -67.1 | 94.1 | 168.7 | -76.2 | -81.6 | 0 | 0 | 0 | 109.7 | S8 W12 | S8-F10 PolarHBondContact O-N 3.43Å; S8-F10 VanDerWaalsContact OG-CD2 3.22Å; S8-F10 WeakPolarHBondContact OG-CD2 3.03Å; S8-F10 WeakPolarHBondContact OG-CE2 3.22Å; F10-W12 VanDerWaalsContact C-N 3.28Å; F10-W12 PolarHBondContact O-N 3.06Å |
| 11 | N | 74.8 | Confident | 74.1 | Confident | 148 Ų | 148 | 141.9 Ų | 141.9 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -79.9 | 79.1 | 169.8 | -69.7 | -77.2 | 0 | 0 | 0 | 108.7 | T9 R13 | T9-N11 PolarHBondContact O-N 3.4Å; T9-N11 PolarHBondContact O-ND2 2.91Å; T9-N11 VanDerWaalsContact C-N 3.35Å; N11-R13 PolarHBondContact O-N 3.26Å; N11-R13 VanDerWaalsContact O-N 3.11Å |
| 12 | W | 73.3 | Confident | 75.4 | Confident | 196 Ų | 196 | 136.7 Ų | 136.7 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | | | trans | -70 | 108.2 | 171.4 | 59.7 | -85.9 | 0 | 0 | 0 | 108.3 | F10 T14 | F10-W12 VanDerWaalsContact C-N 3.28Å; F10-W12 PolarHBondContact O-N 3.06Å; W12-T14 VanDerWaalsContact CE3-CG2 3.42Å; W12-T14 PolarHBondContact O-N 3.33Å; W12-T14 WeakPolarHBondContact CZ3-OG1 3.13Å; W12-T14 HydrophobicContact CZ3-CG2 3.22Å; W12-T14 HydrophobicContact CH2-CG2 4.46Å; W12-T14 HydrophobicContact CE3-CG2 3.42Å |
| 13 | R | 77.3 | Confident | 76.3 | Confident | 225 Ų | 225 | 143.1 Ų | 143.1 | 85% | 0.849 | 76% | 0.757 | S | S | * | * | | | trans | -81.1 | 100.4 | 164.9 | -171.3 | 177 | -169.7 | -134.3 | 2.5 | 106.5 | N11 S15 | N11-R13 PolarHBondContact O-N 3.26Å; N11-R13 VanDerWaalsContact O-N 3.11Å; R13-S15 PolarHBondContact O-N 3.11Å |
| 14 | T | 74.8 | Confident | 76.9 | Confident | 107 Ų | 107 | 142.4 Ų | 142.4 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | | | trans | -67.1 | 105.6 | 165.1 | 32.2 | 0 | 0 | 0 | 0 | 108.6 | W12 A16 | W12-T14 VanDerWaalsContact CE3-CG2 3.42Å; W12-T14 PolarHBondContact O-N 3.33Å; W12-T14 WeakPolarHBondContact CZ3-OG1 3.13Å; W12-T14 HydrophobicContact CZ3-CG2 3.22Å; W12-T14 HydrophobicContact CH2-CG2 4.46Å; W12-T14 HydrophobicContact CE3-CG2 3.42Å; T14-A16 PolarHBondContact O-N 3.02Å |
| 15 | S | 78.1 | Confident | 77.1 | Confident | 93 Ų | 93 | 144 Ų | 144 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | trans | -77.2 | 107.2 | 153.9 | -66.6 | 0 | 0 | 0 | 0 | 106.7 | R13 | R13-S15 PolarHBondContact O-N 3.11Š|
| 16 | A | 81.7 | Confident | 77.3 | Confident | 74 Ų | 74 | 148.7 Ų | 148.7 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | | | trans | -61.1 | 143 | 166 | 0 | 0 | 0 | 0 | 0 | 108.6 | T14 V18 | T14-A16 PolarHBondContact O-N 3.02Å; A16-V18 PolarHBondContact O-N 3.14Å; A16-V18 VanDerWaalsContact O-N 3.14Å |
| 17 | P | 78.1 | Confident | 77.4 | Confident | 101 Ų | 101 | 144.2 Ų | 144.2 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | | | trans | -61.6 | 119.6 | 173 | 25.6 | -31.5 | 0 | 0 | 0 | 108.4 | F19 | P17-F19 HydrophobicContact CB-CE2 4.33Å; P17-F19 HydrophobicContact CB-CZ 4.44Å; P17-F19 HydrophobicContact CG-CE2 4.16Å; P17-F19 HydrophobicContact CG-CZ 4.42Å |
| 18 | V | 83.1 | Confident | 77.5 | Confident | 122 Ų | 122 | 143.7 Ų | 143.7 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | | | trans | -85.7 | 112.1 | 171 | -179.6 | 0 | 0 | 0 | 0 | 106.5 | A16 L20 | A16-V18 PolarHBondContact O-N 3.14Å; A16-V18 VanDerWaalsContact O-N 3.14Å; V18-L20 PolarHBondContact O-N 3.49Å |
| 19 | F | 83.8 | Confident | 77.7 | Confident | 170 Ų | 170 | 147.5 Ų | 147.5 | 75% | 0.746 | 77% | 0.767 | S | S | * | * | | | trans | -78.2 | 118.4 | 167.7 | -61.7 | -84.5 | 0 | 0 | 0 | 107.2 | P17 | P17-F19 HydrophobicContact CB-CE2 4.33Å; P17-F19 HydrophobicContact CB-CZ 4.44Å; P17-F19 HydrophobicContact CG-CE2 4.16Å; P17-F19 HydrophobicContact CG-CZ 4.42Å |
| 20 | L | 82.8 | Confident | 77.9 | Confident | 148 Ų | 148 | 150.4 Ų | 150.4 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | -87.5 | 103.8 | 168.5 | -72.2 | 167.7 | 0 | 0 | 0 | 106.6 | V18 T22 | V18-L20 PolarHBondContact O-N 3.49Å; L20-T22 PolarHBondContact O-N 3.11Å; L20-T22 VanDerWaalsContact O-N 3.11Å |
| 21 | D | 81.2 | Confident | 78.1 | Confident | 153 Ų | 153 | 148.5 Ų | 148.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -64.4 | 110 | 168.3 | -66.4 | -42.7 | 0 | 0 | 0 | 107.5 | | |
| 22 | T | 75.7 | Confident | 78.4 | Confident | 137 Ų | 137 | 148.5 Ų | 148.5 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | -97.5 | 84.2 | 170.6 | -45.9 | 0 | 0 | 0 | 0 | 106.2 | L20 | L20-T22 PolarHBondContact O-N 3.11Å; L20-T22 VanDerWaalsContact O-N 3.11Å |
| 23 | E | 70.5 | Confident | 78.8 | Confident | 256 Ų | 256 | 144.2 Ų | 144.2 | 100% | 1.196 | 78% | 0.776 | S | S | * | * | | | trans | -69.1 | 0 | 161.8 | 63.3 | -177.7 | 150.2 | 0 | 0 | 111.2 | | |