| 1 | M | 37.1 | Very low | 42.8 | Very low | 233 Ų | 233 | 162.5 Ų | 162.5 | 100% | 1.148 | 82% | 0.82 | S | S | * | * | | | | 0 | 117.5 | 0 | -64.9 | -56.2 | -148.7 | 0 | 0 | 107.3 | H3 | M1-H3 PolarHBondContact O-N 3.48Š|
| 2 | A | 46.1 | Very low | 43.4 | Very low | 95 Ų | 95 | 158.2 Ų | 158.2 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | | | trans | -45.7 | 125.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 3 | H | 33.4 | Very low | 44 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | | | trans | -120.7 | 86.1 | 147.2 | -83.3 | 63.9 | 0 | 0 | 0 | 106 | M1 L5 | M1-H3 PolarHBondContact O-N 3.48Å; H3-L5 PolarHBondContact O-N 2.98Å |
| 4 | E | 39.1 | Very low | 44.5 | Very low | 165 Ų | 165 | 154.3 Ų | 154.3 | 77% | 0.771 | 81% | 0.808 | S | S | * | * | | | trans | 52.6 | 58.7 | 138.7 | -51.3 | -168.6 | 162.2 | 0 | 0 | 117.4 | V6 | E4-V6 PolarHBondContact O-N 3.18Š|
| 5 | L | 43.8 | Very low | 44.7 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 95% | 0.953 | 77% | 0.768 | S | S | * | * | | | trans | -71.2 | 49.1 | 153.5 | -72.8 | 164.9 | 0 | 0 | 0 | 110.7 | H3 | H3-L5 PolarHBondContact O-N 2.98Š|
| 6 | V | 45.7 | Very low | 45.3 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 53% | 0.533 | 74% | 0.743 | S | S | . | * | | | trans | -134.2 | 68.4 | 177.5 | -169.5 | 0 | 0 | 0 | 0 | 108.1 | E4 R9 | E4-V6 PolarHBondContact O-N 3.18Å; V6-R9 HydrophobicContact CG1-CB 4.08Å; V6-R9 HydrophobicContact CG1-CG 4.13Å |
| 7 | M | 45 | Very low | 45.8 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 89% | 0.892 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -123.4 | 38.1 | 159 | -82.4 | -169.7 | 61 | 0 | 0 | 111.2 | | |
| 8 | F | 42.3 | Very low | 46.3 | Very low | 204 Ų | 204 | 142.9 Ų | 142.9 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -174.5 | 107.5 | 133.1 | -109.5 | -81.2 | 0 | 0 | 0 | 105.8 | D10 | F8-D10 PolarHBondContact O-N 3.45Š|
| 9 | R | 44.8 | Very low | 46.6 | Very low | 210 Ų | 210 | 140.2 Ų | 140.2 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 125.4 | -175.4 | -157.1 | 162.8 | 168.9 | -132.3 | -0.9 | 108.9 | V6 | V6-R9 HydrophobicContact CG1-CB 4.08Å; V6-R9 HydrophobicContact CG1-CG 4.13Å |
| 10 | D | 45.6 | Very low | 47.3 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.3 | 21.4 | 162.2 | -62.5 | -45 | 0 | 0 | 0 | 123.3 | F8 | F8-D10 PolarHBondContact O-N 3.45Š|
| 11 | V | 47.6 | Very low | 47.7 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 66% | 0.661 | 71% | 0.71 | S | S | * | * | | | trans | -148.2 | 55.1 | 163.3 | -163.6 | 0 | 0 | 0 | 0 | 112.1 | I13 | V11-I13 HydrophobicContact CG1-CB 4.25Å; V11-I13 HydrophobicContact CG1-CD1 3.26Å; V11-I13 HydrophobicContact CG1-CG1 3.4Å; V11-I13 VanDerWaalsContact CG1-CG1 3.4Å; V11-I13 PolarHBondContact O-N 2.88Å; V11-I13 VanDerWaalsContact O-N 3.09Å |
| 12 | A | 49.9 | Very low | 48.5 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 91% | 0.909 | 69% | 0.69 | S | S | * | * | | | trans | -79.9 | 69.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | D14 | A12-D14 PolarHBondContact O-N 3.47Š|
| 13 | I | 52 | Low | 49.3 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 49% | 0.492 | 66% | 0.664 | S | S | . | * | | | trans | -66.9 | 123.5 | 167.1 | -66.3 | 167.1 | 0 | 0 | 0 | 104.2 | V11 V15 | V11-I13 HydrophobicContact CG1-CB 4.25Å; V11-I13 HydrophobicContact CG1-CD1 3.26Å; V11-I13 HydrophobicContact CG1-CG1 3.4Å; V11-I13 VanDerWaalsContact CG1-CG1 3.4Å; V11-I13 PolarHBondContact O-N 2.88Å; V11-I13 VanDerWaalsContact O-N 3.09Å; I13-V15 HydrophobicContact CB-CG2 3.75Å; I13-V15 PolarHBondContact O-N 3.42Å; I13-V15 WeakPolarHBondContact O-CG2 3.49Å; I13-V15 HydrophobicContact CG2-CG2 3.62Å; I13-V15 HydrophobicContact CG2-CB 4.3Å |
| 14 | D | 50.9 | Low | 50.4 | Low | 166 Ų | 166 | 126.8 Ų | 126.8 | 89% | 0.888 | 65% | 0.651 | S | S | * | * | | | trans | -70.1 | 78.8 | 164.1 | -152 | -17.7 | 0 | 0 | 0 | 105.5 | A12 S16 | A12-D14 PolarHBondContact O-N 3.47Å; D14-S16 PolarHBondContact O-N 3.31Å; D14-S16 VanDerWaalsContact O-N 3.1Å |
| 15 | V | 47.9 | Very low | 51.5 | Low | 35 Ų | 35 | 124 Ų | 124 | 21% | 0.212 | 65% | 0.648 | C | S | . | * | | | trans | -66.2 | 112.7 | -167.4 | 176.4 | 0 | 0 | 0 | 0 | 107.5 | I13 E19 W20 L23 | I13-V15 HydrophobicContact CB-CG2 3.75Å; I13-V15 PolarHBondContact O-N 3.42Å; I13-V15 WeakPolarHBondContact O-CG2 3.49Å; I13-V15 HydrophobicContact CG2-CG2 3.62Å; I13-V15 HydrophobicContact CG2-CB 4.3Å; V15-E19 HydrophobicContact CG1-CB 3.44Å; V15-E19 VanDerWaalsContact CG1-CB 3.44Å; V15-W20 HydrophobicContact CG1-CE3 3.94Å; V15-W20 HydrophobicContact CB-CE3 4.11Å; V15-W20 HydrophobicContact CG1-CB 3.89Å; V15-L23 HydrophobicContact CB-CD1 4.19Å; V15-L23 HydrophobicContact CG1-CD1 3.49Å; V15-L23 VanDerWaalsContact CG1-CD1 3.49Å; V15-L23 HydrophobicContact CG2-CD1 3.56Å |
| 16 | S | 54.4 | Low | 52 | Low | 52 Ų | 52 | 119 Ų | 119 | 36% | 0.364 | 63% | 0.632 | S | S | . | * | | | trans | -61.2 | 153.8 | 171.5 | 64.2 | 0 | 0 | 0 | 0 | 109.9 | D14 E18 E19 W20 | D14-S16 PolarHBondContact O-N 3.31Å; D14-S16 VanDerWaalsContact O-N 3.1Å; S16-E18 PolarHBondContact O-N 2.82Å; S16-E19 PolarHBondContact N-OE2 3.45Å; S16-E19 PolarHBondContact O-N 2.72Å; S16-E19 WeakPolarHBondContact OG-CG 3.38Å; S16-E19 PolarHBondContact OG-OE2 3.31Å; S16-W20 PolarHBondContact O-N 2.94Å |
| 17 | Q | 52.7 | Low | 52.5 | Low | 165 Ų | 165 | 120.3 Ų | 120.3 | 77% | 0.771 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -53.7 | -30.1 | -174.8 | -170 | 169 | 2.1 | 0 | 0 | 113.4 | W20 E21 | Q17-W20 WeakPolarHBondContact O-CB 3.48Å; Q17-W20 PolarHBondContact O-N 3.04Å; Q17-E21 PolarHBondContact O-N 3.09Å |
| 18 | E | 54.6 | Low | 53.2 | Low | 160 Ų | 160 | 115.7 Ų | 115.7 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.7 | -38.9 | 176.4 | -66.7 | 169.1 | 162.5 | 0 | 0 | 112.4 | S16 W20 E21 C22 | S16-E18 PolarHBondContact O-N 2.82Å; E18-W20 VanDerWaalsContact C-N 3.32Å; E18-E21 PolarHBondContact O-N 3.09Å; E18-C22 PolarHBondContact O-N 3.05Å |
| 19 | E | 52.7 | Low | 53.8 | Low | 92 Ų | 92 | 111 Ų | 111 | 43% | 0.43 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.2 | -26 | 174.9 | -67.3 | 167.7 | 124.6 | 0 | 0 | 111.4 | V15 S16 E21 C22 L23 | V15-E19 HydrophobicContact CG1-CB 3.44Å; V15-E19 VanDerWaalsContact CG1-CB 3.44Å; S16-E19 PolarHBondContact N-OE2 3.45Å; S16-E19 PolarHBondContact O-N 2.72Å; S16-E19 WeakPolarHBondContact OG-CG 3.38Å; S16-E19 PolarHBondContact OG-OE2 3.31Å; E19-E21 VanDerWaalsContact C-N 3.29Å; E19-E21 PolarHBondContact O-N 3.1Å; E19-C22 CarbonylContact O-C 3.53Å; E19-C22 PolarHBondContact O-N 2.97Å; E19-L23 WeakPolarHBondContact O-CB 3.46Å; E19-L23 PolarHBondContact O-N 2.89Å |
| 20 | W | 59.9 | Low | 54.4 | Low | 90 Ų | 90 | 106.8 Ų | 106.8 | 34% | 0.341 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.4 | -26.8 | 175.9 | -166.3 | -106.2 | 0 | 0 | 0 | 112.8 | V15 S16 Q17 E18 R28 Y31 | V15-W20 HydrophobicContact CG1-CE3 3.94Å; V15-W20 HydrophobicContact CB-CE3 4.11Å; V15-W20 HydrophobicContact CG1-CB 3.89Å; S16-W20 PolarHBondContact O-N 2.94Å; Q17-W20 WeakPolarHBondContact O-CB 3.48Å; Q17-W20 PolarHBondContact O-N 3.04Å; E18-W20 VanDerWaalsContact C-N 3.32Å; W20-R28 HydrophobicContact CZ2-CG 4.28Å; W20-R28 VanDerWaalsContact O-NH2 3.09Å; W20-R28 PolarHBondContact O-NE 3.4Å; W20-R28 PolarHBondContact O-NH2 3.47Å; W20-Y31 HydrophobicContact CH2-CD1 4.07Å; W20-Y31 HydrophobicContact CH2-CE1 4.42Å; W20-Y31 HydrophobicContact CH2-CG 4.2Å |
| 21 | E | 55.5 | Low | 54.9 | Low | 159 Ų | 159 | 107.4 Ų | 107.4 | 74% | 0.743 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.1 | -30.1 | 171 | -67.5 | -161.9 | 161 | 0 | 0 | 112.4 | Q17 E18 E19 L23 | Q17-E21 PolarHBondContact O-N 3.09Å; E18-E21 PolarHBondContact O-N 3.09Å; E19-E21 VanDerWaalsContact C-N 3.29Å; E19-E21 PolarHBondContact O-N 3.1Å; E21-L23 VanDerWaalsContact C-N 3.33Å |
| 22 | C | 55.5 | Low | 55.3 | Low | 108 Ų | 108 | 108.9 Ų | 108.9 | 73% | 0.73 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -84.4 | -7.8 | 177 | -143.6 | 0 | 0 | 0 | 0 | 113.2 | E18 E19 | E18-C22 PolarHBondContact O-N 3.05Å; E19-C22 CarbonylContact O-C 3.53Å; E19-C22 PolarHBondContact O-N 2.97Å |
| 23 | L | 61 | Low | 55.6 | Low | 44 Ų | 44 | 108.8 Ų | 108.8 | 23% | 0.23 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -77.4 | 137.1 | -175.1 | -125.7 | 131.5 | 0 | 0 | 0 | 112.5 | V15 E19 E21 Q27 | V15-L23 HydrophobicContact CB-CD1 4.19Å; V15-L23 HydrophobicContact CG1-CD1 3.49Å; V15-L23 VanDerWaalsContact CG1-CD1 3.49Å; V15-L23 HydrophobicContact CG2-CD1 3.56Å; E19-L23 WeakPolarHBondContact O-CB 3.46Å; E19-L23 PolarHBondContact O-N 2.89Å; E21-L23 VanDerWaalsContact C-N 3.33Å; L23-Q27 HydrophobicContact CD2-CB 3.84Å |
| 24 | N | 57.2 | Low | 55.7 | Low | 106 Ų | 106 | 109.4 Ų | 109.4 | 57% | 0.567 | 56% | 0.557 | S | S | * | * | | | trans | -61 | 132.8 | -175 | -88.4 | 11 | 0 | 0 | 0 | 111.5 | A26 Q27 R28 | N24-A26 PolarHBondContact O-N 3.43Å; N24-Q27 PolarHBondContact O-N 3.01Å; N24-R28 PolarHBondContact O-N 3.4Å |
| 25 | P | 61.7 | Low | 56 | Low | 107 Ų | 107 | 108.9 Ų | 108.9 | 70% | 0.695 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.4 | -24.3 | -177.6 | 18.6 | -29.2 | 0 | 0 | 0 | 113.5 | N29 | P25-N29 PolarHBondContact O-N 3.35Å |
| 26 | A | 55.8 | Low | 56.3 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 63% | 0.628 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.7 | -33 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N24 | N24-A26 PolarHBondContact O-N 3.43Å |
| 27 | Q | 56.3 | Low | 56.4 | Low | 116 Ų | 116 | 117.9 Ų | 117.9 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -81.2 | -35.8 | 178.4 | -70.6 | 177.5 | -62.6 | 0 | 0 | 111.9 | L23 N24 N29 L30 | L23-Q27 HydrophobicContact CD2-CB 3.84Å; N24-Q27 PolarHBondContact O-N 3.01Å; Q27-N29 PolarHBondContact O-N 3.26Å; Q27-L30 PolarHBondContact O-N 3.5Å |
| 28 | R | 58.3 | Low | 56.7 | Low | 84 Ų | 84 | 117.2 Ų | 117.2 | 32% | 0.317 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.9 | -29.9 | 172.8 | -97.5 | 174.4 | 160.5 | -171.3 | 2.9 | 113.2 | W20 N24 L30 Y31 K32 | W20-R28 HydrophobicContact CZ2-CG 4.28Å; W20-R28 VanDerWaalsContact O-NH2 3.09Å; W20-R28 PolarHBondContact O-NE 3.4Å; W20-R28 PolarHBondContact O-NH2 3.47Å; N24-R28 PolarHBondContact O-N 3.4Å; R28-L30 VanDerWaalsContact C-N 3.31Å; R28-Y31 PolarHBondContact O-N 3.21Å; R28-K32 WeakPolarHBondContact O-CG 3.49Å; R28-K32 PolarHBondContact O-N 3.25Å |
| 29 | N | 55.5 | Low | 56.6 | Low | 106 Ų | 106 | 114 Ų | 114 | 57% | 0.567 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.9 | -35 | -179.8 | -158.1 | 48.6 | 0 | 0 | 0 | 112.1 | P25 Q27 E33 | P25-N29 PolarHBondContact O-N 3.35Å; Q27-N29 PolarHBondContact O-N 3.26Å; N29-E33 WeakPolarHBondContact O-CG 3.35Å; N29-E33 PolarHBondContact O-N 3.49Å |
| 30 | L | 56.7 | Low | 56.3 | Low | 121 Ų | 121 | 116.8 Ų | 116.8 | 63% | 0.634 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.6 | -43.1 | 177.6 | -61.6 | 171.1 | 0 | 0 | 0 | 111.3 | Q27 R28 K32 E33 D34 | Q27-L30 PolarHBondContact O-N 3.5Å; R28-L30 VanDerWaalsContact C-N 3.31Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3.48Å; L30-E33 PolarHBondContact O-N 3.35Å; L30-D34 PolarHBondContact O-N 3.44Å |
| 31 | Y | 56.9 | Low | 56.2 | Low | 154 Ų | 154 | 121.8 Ų | 121.8 | 60% | 0.604 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66 | -31.4 | -179.6 | -153.6 | -88.8 | 0 | 0 | 0 | 113.5 | W20 R28 F35 | W20-Y31 HydrophobicContact CH2-CD1 4.07Å; W20-Y31 HydrophobicContact CH2-CE1 4.42Å; W20-Y31 HydrophobicContact CH2-CG 4.2Å; R28-Y31 PolarHBondContact O-N 3.21Å; Y31-F35 PolarHBondContact O-N 3.36Å |
| 32 | K | 56.8 | Low | 56.2 | Low | 139 Ų | 139 | 120 Ų | 120 | 60% | 0.604 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -78.5 | -35.1 | -179 | -76.7 | -177.3 | 176.3 | -176 | 0 | 113.4 | R28 L30 F35 L36 | R28-K32 WeakPolarHBondContact O-CG 3.49Å; R28-K32 PolarHBondContact O-N 3.25Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3.48Å; K32-F35 PolarHBondContact O-N 3.09Å; K32-L36 PolarHBondContact O-N 3.15Å |
| 33 | E | 55.1 | Low | 56.2 | Low | 109 Ų | 109 | 120.6 Ų | 120.6 | 51% | 0.509 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.3 | -50.2 | 177.5 | -72.5 | -101.5 | 108.3 | 0 | 0 | 109.7 | N29 L30 F35 L36 F37 | N29-E33 WeakPolarHBondContact O-CG 3.35Å; N29-E33 PolarHBondContact O-N 3.49Å; L30-E33 PolarHBondContact O-N 3.35Å; E33-F35 VanDerWaalsContact C-N 3.3Å; E33-F35 PolarHBondContact O-N 3.29Å; E33-L36 PolarHBondContact O-N 3.23Å; E33-L36 VanDerWaalsContact O-N 3.15Å; E33-F37 PolarHBondContact O-N 3.44Å; E33-F37 VanDerWaalsContact O-N 3.09Å; E33-F37 WeakPolarHBondContact O-CD2 3.18Å |
| 34 | D | 53.9 | Low | 56 | Low | 109 Ų | 109 | 124.8 Ų | 124.8 | 58% | 0.583 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.3 | -34.2 | 179.5 | -77.2 | -56.4 | 0 | 0 | 0 | 113.1 | L30 L36 F37 L38 | L30-D34 PolarHBondContact O-N 3.44Å; D34-L36 PolarHBondContact O-N 3.34Å; D34-F37 PolarHBondContact O-N 3.45Å; D34-L38 WeakPolarHBondContact O-CG 3.36Å; D34-L38 PolarHBondContact O-N 3.47Å |
| 35 | F | 57.5 | Low | 55.9 | Low | 154 Ų | 154 | 125.9 Ų | 125.9 | 68% | 0.675 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.6 | -31.8 | 177.9 | -151 | -91 | 0 | 0 | 0 | 112.9 | Y31 K32 E33 | Y31-F35 PolarHBondContact O-N 3.36Å; K32-F35 PolarHBondContact O-N 3.09Å; E33-F35 VanDerWaalsContact C-N 3.3Å; E33-F35 PolarHBondContact O-N 3.29Å |
| 36 | L | 54.8 | Low | 55.5 | Low | 128 Ų | 128 | 127.1 Ų | 127.1 | 67% | 0.67 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.8 | -31 | 176.9 | -164.6 | 69.9 | 0 | 0 | 0 | 111.9 | K32 E33 D34 L38 S39 | K32-L36 PolarHBondContact O-N 3.15Å; E33-L36 PolarHBondContact O-N 3.23Å; E33-L36 VanDerWaalsContact O-N 3.15Å; D34-L36 PolarHBondContact O-N 3.34Å; L36-L38 VanDerWaalsContact C-N 3.31Å; L36-L38 PolarHBondContact O-N 3.38Å; L36-S39 PolarHBondContact O-N 3.46Å |
| 37 | F | 55.5 | Low | 55.5 | Low | 148 Ų | 148 | 130.5 Ų | 130.5 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.6 | -24.7 | 175.9 | -85.2 | -73.2 | 0 | 0 | 0 | 113.6 | E33 D34 S39 | E33-F37 PolarHBondContact O-N 3.44Å; E33-F37 VanDerWaalsContact O-N 3.09Å; E33-F37 WeakPolarHBondContact O-CD2 3.18Å; D34-F37 PolarHBondContact O-N 3.45Å; F37-S39 VanDerWaalsContact C-N 3.3Å; F37-S39 PolarHBondContact O-N 3.5Å |
| 38 | L | 58.9 | Low | 55.5 | Low | 151 Ų | 151 | 131.6 Ų | 131.6 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -0.1 | 177.4 | -65.2 | 174.9 | 0 | 0 | 0 | 114.3 | D34 L36 | D34-L38 WeakPolarHBondContact O-CG 3.36Å; D34-L38 PolarHBondContact O-N 3.47Å; L36-L38 VanDerWaalsContact C-N 3.31Å; L36-L38 PolarHBondContact O-N 3.38Å |
| 39 | S | 52.8 | Low | 55.3 | Low | 93 Ų | 93 | 135.2 Ų | 135.2 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 17.3 | 179.4 | -169.3 | 0 | 0 | 0 | 0 | 113.8 | L36 F37 | L36-S39 PolarHBondContact O-N 3.46Å; F37-S39 VanDerWaalsContact C-N 3.3Å; F37-S39 PolarHBondContact O-N 3.5Å |
| 40 | Q | 47.3 | Very low | 55.2 | Low | 151 Ų | 151 | 137.7 Ų | 137.7 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | | | trans | -95.6 | 133.2 | 162.2 | -65.8 | -73.5 | -47.8 | 0 | 0 | 107.8 | | |
| 41 | P | 56.8 | Low | 55.1 | Low | 195 Ų | 195 | 139.2 Ų | 139.2 | 100% | 1.266 | 70% | 0.701 | S | S | * | * | | | trans | -63.5 | 0 | -171 | 27.5 | -35.7 | 0 | 0 | 0 | 114.1 | | |