| 1 | S | 49.6 | Very low | 47.4 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 100% | 1.182 | 79% | 0.789 | S | S | * | * | | | | 0 | 103.6 | 0 | -171.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 2 | L | 37.6 | Very low | 47.6 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | 179.2 | 79.5 | 155.7 | -124 | 97.9 | 0 | 0 | 0 | 106.4 | H4 | L2-H4 PolarHBondContact O-N 3.19Š|
| 3 | A | 43.6 | Very low | 48 | Very low | 102 Ų | 102 | 137 Ų | 137 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -70.7 | 107.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 4 | H | 48 | Very low | 48 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | | | trans | -52 | 122.1 | 178.2 | -167.4 | -79.5 | 0 | 0 | 0 | 110.6 | L2 C6 | L2-H4 PolarHBondContact O-N 3.19Å; H4-C6 VanDerWaalsContact CE1-CB 3.48Å; H4-C6 WeakPolarHBondContact CE1-CB 3.48Å; H4-C6 WeakPolarHBondContact ND1-CB 3.17Å; H4-C6 PolarHBondContact O-N 3.1Å |
| 5 | P | 45.9 | Very low | 48.4 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -77.2 | 31.8 | -173.7 | 33.2 | -36.4 | 0 | 0 | 0 | 113.4 | V7 | P5-V7 VanDerWaalsContact C-N 3.25Å; P5-V7 PolarHBondContact O-N 3.01Å |
| 6 | C | 49.4 | Very low | 48.6 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | trans | -94.7 | 27.8 | 177.1 | -157.3 | 0 | 0 | 0 | 0 | 112.4 | H4 | H4-C6 VanDerWaalsContact CE1-CB 3.48Å; H4-C6 WeakPolarHBondContact CE1-CB 3.48Å; H4-C6 WeakPolarHBondContact ND1-CB 3.17Å; H4-C6 PolarHBondContact O-N 3.1Å |
| 7 | V | 47.9 | Very low | 49 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | -112.1 | 55.4 | 164.5 | -167.7 | 0 | 0 | 0 | 0 | 107.9 | P5 R9 | P5-V7 VanDerWaalsContact C-N 3.25Å; P5-V7 PolarHBondContact O-N 3.01Å; V7-R9 VanDerWaalsContact C-N 3.29Å; V7-R9 PolarHBondContact O-N 3.41Å; V7-R9 VanDerWaalsContact O-N 3.14Å |
| 8 | A | 48.6 | Very low | 49.3 | Very low | 76 Ų | 76 | 144.7 Ų | 144.7 | 63% | 0.628 | 77% | 0.765 | S | S | * | * | | | trans | -71.9 | 98.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | I10 | A8-I10 PolarHBondContact O-N 2.86Š|
| 9 | R | 46.7 | Very low | 49.7 | Very low | 218 Ų | 218 | 144.5 Ų | 144.5 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | | | trans | -48.1 | 117.4 | 167.9 | -74 | -179.9 | -174.3 | 170.9 | 1.5 | 106.3 | V7 E11 | V7-R9 VanDerWaalsContact C-N 3.29Å; V7-R9 PolarHBondContact O-N 3.41Å; V7-R9 VanDerWaalsContact O-N 3.14Å; R9-E11 PolarHBondContact O-N 2.84Å |
| 10 | I | 53.1 | Low | 50 | Low | 153 Ų | 153 | 140.5 Ų | 140.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -67.3 | 85.3 | 165.8 | -61.3 | 167.2 | 0 | 0 | 0 | 104.1 | A8 C12 | A8-I10 PolarHBondContact O-N 2.86Å; I10-C12 VanDerWaalsContact C-N 3.27Å; I10-C12 PolarHBondContact O-N 3.12Å |
| 11 | E | 51.4 | Low | 50.1 | Low | 155 Ų | 155 | 138.7 Ų | 138.7 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | | | trans | -63.8 | 102.6 | 160.8 | -77.4 | -167.6 | 102.9 | 0 | 0 | 104.8 | R9 F13 | R9-E11 PolarHBondContact O-N 2.84Å; E11-F13 VanDerWaalsContact C-N 3.26Å; E11-F13 VanDerWaalsContact O-CD2 3.24Å; E11-F13 WeakPolarHBondContact O-CD2 3.3Å; E11-F13 PolarHBondContact O-N 3.11Å |
| 12 | C | 49.9 | Very low | 50.6 | Low | 111 Ų | 111 | 135.3 Ų | 135.3 | 75% | 0.75 | 72% | 0.721 | S | S | * | * | | | trans | -59.6 | 95.6 | 172.4 | -68.1 | 0 | 0 | 0 | 0 | 107.1 | I10 R14 | I10-C12 VanDerWaalsContact C-N 3.27Å; I10-C12 PolarHBondContact O-N 3.12Å; C12-R14 PolarHBondContact O-N 2.99Å |
| 13 | F | 52.2 | Low | 51.5 | Low | 151 Ų | 151 | 137.1 Ų | 137.1 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | | | trans | -54.7 | 111.6 | 174.2 | -74.7 | -89.1 | 0 | 0 | 0 | 108.4 | E11 L22 | E11-F13 VanDerWaalsContact C-N 3.26Å; E11-F13 VanDerWaalsContact O-CD2 3.24Å; E11-F13 WeakPolarHBondContact O-CD2 3.3Å; E11-F13 PolarHBondContact O-N 3.11Å; F13-L22 HydrophobicContact CZ-CD2 3.97Å; F13-L22 HydrophobicContact CE2-CD2 4.44Å; F13-L22 HydrophobicContact CD1-CD2 4.05Å; F13-L22 HydrophobicContact CE1-CD2 3.76Å |
| 14 | R | 48.6 | Very low | 52.3 | Low | 197 Ų | 197 | 137.1 Ų | 137.1 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | | | trans | -66.7 | 134.4 | 166.8 | -105.3 | -166.8 | 155.2 | -159.4 | -5.6 | 107.3 | C12 E16 | C12-R14 PolarHBondContact O-N 2.99Å; R14-E16 PolarHBondContact O-N 3.14Å |
| 15 | R | 52.9 | Low | 52.9 | Low | 242 Ų | 242 | 139.9 Ų | 139.9 | 91% | 0.913 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 8.5 | -167.3 | -147.5 | 171.5 | 179 | 173.7 | -1.5 | 114.8 | | |
| 16 | E | 51.8 | Low | 53.5 | Low | 158 Ų | 158 | 140.5 Ų | 140.5 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -15.4 | -178.3 | -80.9 | 178.1 | 98.3 | 0 | 0 | 113.8 | R14 | R14-E16 PolarHBondContact O-N 3.14Š|
| 17 | D | 55 | Low | 53.5 | Low | 134 Ų | 134 | 140.4 Ų | 140.4 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | | | trans | -112 | 31.6 | -175.3 | -70.1 | -72.4 | 0 | 0 | 0 | 114.1 | T19 | D17-T19 VanDerWaalsContact C-N 3.26Å; D17-T19 PolarHBondContact O-N 2.99Å |
| 18 | V | 54.9 | Low | 53.4 | Low | 93 Ų | 93 | 142.4 Ų | 142.4 | 56% | 0.564 | 72% | 0.72 | S | S | * | * | | | trans | -87.1 | 67.6 | 176.3 | -166.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 19 | T | 56.3 | Low | 53.4 | Low | 141 Ų | 141 | 147.4 Ų | 147.4 | 87% | 0.865 | 75% | 0.75 | S | S | * | * | | | trans | -120.9 | 18.6 | 169.9 | -22 | 0 | 0 | 0 | 0 | 112.3 | D17 | D17-T19 VanDerWaalsContact C-N 3.26Å; D17-T19 PolarHBondContact O-N 2.99Å |
| 20 | A | 56.3 | Low | 53.7 | Low | 63 Ų | 63 | 143.9 Ų | 143.9 | 52% | 0.521 | 75% | 0.746 | S | S | . | * | S | Bend | trans | -137.4 | 142.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L22 | A20-L22 PolarHBondContact O-N 3.01Š|
| 21 | P | 53.1 | Low | 53.7 | Low | 104 Ų | 104 | 143.4 Ų | 143.4 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | trans | -61.4 | 113.3 | 176.1 | 25 | -31.4 | 0 | 0 | 0 | 108.8 | W23 | P21-W23 VanDerWaalsContact O-CD1 3.26Å; P21-W23 PolarHBondContact O-N 2.81Å |
| 22 | L | 59.8 | Low | 53.9 | Low | 97 Ų | 97 | 142.8 Ų | 142.8 | 51% | 0.508 | 75% | 0.745 | S | S | . | * | | | trans | -70.7 | 94.6 | 172.1 | -66 | 170.5 | 0 | 0 | 0 | 107.2 | F13 A20 P24 | F13-L22 HydrophobicContact CZ-CD2 3.97Å; F13-L22 HydrophobicContact CE2-CD2 4.44Å; F13-L22 HydrophobicContact CD1-CD2 4.05Å; F13-L22 HydrophobicContact CE1-CD2 3.76Å; A20-L22 PolarHBondContact O-N 3.01Å; L22-P24 VanDerWaalsContact O-CD 3.3Å; L22-P24 WeakPolarHBondContact O-CD 3.24Å |
| 23 | W | 56.3 | Low | 54.1 | Low | 204 Ų | 204 | 144.6 Ų | 144.6 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | -70.7 | 117.5 | 167.2 | -69.5 | 80.6 | 0 | 0 | 0 | 107.3 | P21 F25 | P21-W23 VanDerWaalsContact O-CD1 3.26Å; P21-W23 PolarHBondContact O-N 2.81Å; W23-F25 VanDerWaalsContact O-N 3.11Å; W23-F25 PolarHBondContact O-N 2.79Å |
| 24 | P | 59.3 | Low | 54.2 | Low | 101 Ų | 101 | 144.3 Ų | 144.3 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | | | trans | -66.1 | 117.4 | 172.5 | 27 | -30.6 | 0 | 0 | 0 | 107.2 | L22 I26 | L22-P24 VanDerWaalsContact O-CD 3.3Å; L22-P24 WeakPolarHBondContact O-CD 3.24Å; P24-I26 HydrophobicContact CB-CG1 4.4Å; P24-I26 HydrophobicContact CG-CG1 4.45Å; P24-I26 PolarHBondContact O-N 2.98Å |
| 25 | F | 61.3 | Low | 54.6 | Low | 203 Ų | 203 | 140.7 Ų | 140.7 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | | | trans | -66.8 | 89.5 | 164.2 | -76.3 | -89.4 | 0 | 0 | 0 | 107.2 | W23 C27 | W23-F25 VanDerWaalsContact O-N 3.11Å; W23-F25 PolarHBondContact O-N 2.79Å; F25-C27 PolarHBondContact O-N 3.06Å; F25-C27 VanDerWaalsContact O-N 3.12Å |
| 26 | I | 57.9 | Low | 54.7 | Low | 126 Ų | 126 | 133.5 Ų | 133.5 | 65% | 0.646 | 74% | 0.739 | S | S | * | * | | | trans | -69.7 | 106.3 | 171.4 | -61.1 | 172.8 | 0 | 0 | 0 | 105.9 | P24 L28 | P24-I26 HydrophobicContact CB-CG1 4.4Å; P24-I26 HydrophobicContact CG-CG1 4.45Å; P24-I26 PolarHBondContact O-N 2.98Å; I26-L28 VanDerWaalsContact C-N 3.33Å; I26-L28 HydrophobicContact CG2-CD2 4.11Å; I26-L28 HydrophobicContact CG2-CG 4.11Å; I26-L28 PolarHBondContact O-N 2.98Å |
| 27 | C | 49.3 | Very low | 54.9 | Low | 97 Ų | 97 | 131.6 Ų | 131.6 | 66% | 0.655 | 74% | 0.739 | S | S | * | * | | | trans | -65.7 | 99.5 | 161.1 | -79.2 | 0 | 0 | 0 | 0 | 107 | F25 S29 | F25-C27 PolarHBondContact O-N 3.06Å; F25-C27 VanDerWaalsContact O-N 3.12Å; C27-S29 PolarHBondContact O-N 2.85Å; C27-S29 VanDerWaalsContact O-N 3.1Å |
| 28 | L | 45.7 | Very low | 54.9 | Low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | | | trans | -72.9 | 96.6 | 165.9 | -71.6 | 165.6 | 0 | 0 | 0 | 107.4 | I26 | I26-L28 VanDerWaalsContact C-N 3.33Å; I26-L28 HydrophobicContact CG2-CD2 4.11Å; I26-L28 HydrophobicContact CG2-CG 4.11Å; I26-L28 PolarHBondContact O-N 2.98Å |
| 29 | S | 49 | Very low | 54.9 | Low | 181 Ų | 181 | 134.9 Ų | 134.9 | 100% | 1.266 | 76% | 0.757 | S | S | * | * | | | trans | -103.2 | 0 | 159.4 | 57.2 | 0 | 0 | 0 | 0 | 109.1 | C27 | C27-S29 PolarHBondContact O-N 2.85Å; C27-S29 VanDerWaalsContact O-N 3.1Å |