| 1 | M | 55.1 | Low | 57.5 | Low | 200 Ų | 200 | 126.5 Ų | 126.5 | 99% | 0.985 | 63% | 0.632 | S | S | * | * | | | | 0 | -24.8 | 0 | -157.1 | 174.1 | -96 | 0 | 0 | 113.8 | | |
| 2 | R | 59.4 | Low | 57.7 | Low | 223 Ų | 223 | 121.4 Ų | 121.4 | 84% | 0.842 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -78 | -30.7 | -179.4 | -54 | -178.4 | -174.2 | -176.4 | 1.4 | 114 | L6 | R2-L6 PolarHBondContact O-N 2.86Å |
| 3 | E | 53.2 | Low | 57.9 | Low | 164 Ų | 164 | 115 Ų | 115 | 77% | 0.766 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.8 | -42.7 | 175.8 | -77.5 | 177.6 | 114 | 0 | 0 | 112.4 | V5 L6 T7 | E3-V5 VanDerWaalsContact C-N 3.25Å; E3-V5 PolarHBondContact O-N 2.97Å; E3-L6 PolarHBondContact O-N 2.87Å; E3-L6 VanDerWaalsContact O-N 3.17Å; E3-T7 PolarHBondContact O-N 3.17Å; E3-T7 PolarHBondContact O-OG1 3.48Å |
| 4 | I | 59.4 | Low | 58.3 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.9 | -37.7 | -178 | -56.8 | 171.1 | 0 | 0 | 0 | 111.2 | T7 Q8 | I4-T7 PolarHBondContact O-N 2.86Å; I4-Q8 WeakPolarHBondContact O-CB 3.37Å; I4-Q8 PolarHBondContact O-N 3.26Å |
| 5 | V | 57.8 | Low | 58.4 | Low | 77 Ų | 77 | 117.7 Ų | 117.7 | 47% | 0.467 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.4 | -42.1 | 179.3 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | E3 Q8 I9 | E3-V5 VanDerWaalsContact C-N 3.25Å; E3-V5 PolarHBondContact O-N 2.97Å; V5-Q8 PolarHBondContact O-N 3.38Å; V5-I9 HydrophobicContact CG1-CD1 4.11Å; V5-I9 VanDerWaalsContact O-CG1 3.29Å; V5-I9 WeakPolarHBondContact O-CG1 3.35Å; V5-I9 PolarHBondContact O-N 2.91Å; V5-I9 VanDerWaalsContact O-N 3.1Å |
| 6 | L | 58.5 | Low | 58.5 | Low | 134 Ų | 134 | 117.1 Ų | 117.1 | 70% | 0.702 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.9 | -40.7 | 174.8 | -99.1 | 131.4 | 0 | 0 | 0 | 111.9 | R2 E3 I9 G10 | R2-L6 PolarHBondContact O-N 2.86Å; E3-L6 PolarHBondContact O-N 2.87Å; E3-L6 VanDerWaalsContact O-N 3.17Å; L6-I9 PolarHBondContact O-N 3.45Å; L6-G10 PolarHBondContact O-N 3.2Å |
| 7 | T | 55.6 | Low | 58.6 | Low | 78 Ų | 78 | 112.6 Ų | 112.6 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.4 | -38.9 | 176.4 | -39.6 | 0 | 0 | 0 | 0 | 111.6 | E3 I4 G10 Q11 | E3-T7 PolarHBondContact O-N 3.17Å; E3-T7 PolarHBondContact O-OG1 3.48Å; I4-T7 PolarHBondContact O-N 2.86Å; T7-G10 PolarHBondContact O-N 3.29Å; T7-Q11 HydrophobicContact CG2-CG 4.48Å; T7-Q11 WeakPolarHBondContact O-CB 3.29Å; T7-Q11 VanDerWaalsContact O-CG 3.25Å; T7-Q11 WeakPolarHBondContact O-CG 3.25Å; T7-Q11 PolarHBondContact O-N 2.95Å |
| 8 | Q | 57.8 | Low | 58.6 | Low | 130 Ų | 130 | 110.1 Ų | 110.1 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.5 | -38.1 | 178.5 | -163.3 | -177.6 | 22.4 | 0 | 0 | 112.2 | I4 V5 Q11 C12 | I4-Q8 WeakPolarHBondContact O-CB 3.37Å; I4-Q8 PolarHBondContact O-N 3.26Å; V5-Q8 PolarHBondContact O-N 3.38Å; Q8-Q11 PolarHBondContact O-N 2.96Å; Q8-C12 PolarHBondContact O-N 3.1Å; Q8-C12 VanDerWaalsContact O-N 3.17Å |
| 9 | I | 55.6 | Low | 58.5 | Low | 115 Ų | 115 | 112.8 Ų | 112.8 | 59% | 0.59 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.3 | -36.6 | 174.7 | -63.5 | 167.9 | 0 | 0 | 0 | 111 | V5 L6 C12 G13 | V5-I9 HydrophobicContact CG1-CD1 4.11Å; V5-I9 VanDerWaalsContact O-CG1 3.29Å; V5-I9 WeakPolarHBondContact O-CG1 3.35Å; V5-I9 PolarHBondContact O-N 2.91Å; V5-I9 VanDerWaalsContact O-N 3.1Å; L6-I9 PolarHBondContact O-N 3.45Å; I9-C12 PolarHBondContact O-SG 3.46Å; I9-G13 PolarHBondContact O-N 3.08Å |
| 10 | G | 59.3 | Low | 58.3 | Low | 35 Ų | 35 | 111.8 Ų | 111.8 | 36% | 0.361 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.7 | -37.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L6 T7 G13 N14 | L6-G10 PolarHBondContact O-N 3.2Å; T7-G10 PolarHBondContact O-N 3.29Å; G10-G13 PolarHBondContact O-N 3.02Å; G10-N14 PolarHBondContact O-N 2.86Å; G10-N14 PolarHBondContact O-ND2 3.43Å |
| 11 | Q | 60.5 | Low | 58.1 | Low | 116 Ų | 116 | 109.3 Ų | 109.3 | 54% | 0.542 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.3 | -35.1 | 178.9 | -79 | 173.6 | -19.7 | 0 | 0 | 112.9 | T7 Q8 Q15 | T7-Q11 HydrophobicContact CG2-CG 4.48Å; T7-Q11 WeakPolarHBondContact O-CB 3.29Å; T7-Q11 VanDerWaalsContact O-CG 3.25Å; T7-Q11 WeakPolarHBondContact O-CG 3.25Å; T7-Q11 PolarHBondContact O-N 2.95Å; Q8-Q11 PolarHBondContact O-N 2.96Å; Q11-Q15 PolarHBondContact O-N 3.41Å |
| 12 | C | 60.3 | Low | 58.2 | Low | 66 Ų | 66 | 102.6 Ų | 102.6 | 45% | 0.446 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.2 | -41.5 | 176.4 | 77 | 0 | 0 | 0 | 0 | 111.6 | Q8 I9 N14 Q15 I16 | Q8-C12 PolarHBondContact O-N 3.1Å; Q8-C12 VanDerWaalsContact O-N 3.17Å; I9-C12 PolarHBondContact O-SG 3.46Å; C12-N14 PolarHBondContact O-N 3.49Å; C12-Q15 PolarHBondContact O-N 3.19Å; C12-I16 WeakPolarHBondContact O-CD1 3.42Å; C12-I16 VanDerWaalsContact O-CG1 3.22Å; C12-I16 WeakPolarHBondContact O-CG1 3.25Å; C12-I16 PolarHBondContact O-N 3.17Å |
| 13 | G | 60.2 | Low | 58 | Low | 38 Ų | 38 | 96.7 Ų | 96.7 | 39% | 0.392 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.5 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I9 G10 I16 G17 | I9-G13 PolarHBondContact O-N 3.08Å; G10-G13 PolarHBondContact O-N 3.02Å; G13-I16 PolarHBondContact O-N 3.18Å; G13-G17 PolarHBondContact O-N 3.18Å |
| 14 | N | 62.8 | Low | 58.2 | Low | 126 Ų | 126 | 91.2 Ų | 91.2 | 67% | 0.674 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.9 | -34.2 | 178.8 | -69.1 | -28.8 | 0 | 0 | 0 | 112.8 | G10 C12 A18 | G10-N14 PolarHBondContact O-N 2.86Å; G10-N14 PolarHBondContact O-ND2 3.43Å; C12-N14 PolarHBondContact O-N 3.49Å; N14-A18 VanDerWaalsContact O-CB 3.25Å; N14-A18 WeakPolarHBondContact O-CB 3.22Å; N14-A18 PolarHBondContact O-N 3.09Å |
| 15 | Q | 60.5 | Low | 58.2 | Low | 144 Ų | 144 | 89.1 Ų | 89.1 | 67% | 0.673 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.9 | -36 | 172.8 | -81.1 | -167.7 | 87.2 | 0 | 0 | 112.5 | Q11 C12 K19 | Q11-Q15 PolarHBondContact O-N 3.41Å; C12-Q15 PolarHBondContact O-N 3.19Å; Q15-K19 WeakPolarHBondContact O-CB 3.19Å; Q15-K19 PolarHBondContact O-N 2.87Å |
| 16 | I | 60.2 | Low | 58.1 | Low | 108 Ų | 108 | 89.1 Ų | 89.1 | 55% | 0.554 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.2 | -47 | 174.4 | -64.4 | 161.9 | 0 | 0 | 0 | 109.9 | C12 G13 A18 K19 V20 | C12-I16 WeakPolarHBondContact O-CD1 3.42Å; C12-I16 VanDerWaalsContact O-CG1 3.22Å; C12-I16 WeakPolarHBondContact O-CG1 3.25Å; C12-I16 PolarHBondContact O-N 3.17Å; G13-I16 PolarHBondContact O-N 3.18Å; I16-A18 PolarHBondContact O-N 3.32Å; I16-K19 PolarHBondContact O-N 2.91Å; I16-V20 HydrophobicContact CG2-CG2 4.36Å; I16-V20 WeakPolarHBondContact O-CB 3.14Å; I16-V20 VanDerWaalsContact O-CG2 3.28Å; I16-V20 WeakPolarHBondContact O-CG2 3.28Å; I16-V20 PolarHBondContact O-N 3.44Å |
| 17 | G | 59.3 | Low | 58.1 | Low | 42 Ų | 42 | 87.8 Ų | 87.8 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G13 A21 | G13-G17 PolarHBondContact O-N 3.18Å; G17-A21 WeakPolarHBondContact O-CB 3.43Å; G17-A21 PolarHBondContact O-N 2.91Å |
| 18 | A | 58.6 | Low | 58.4 | Low | 66 Ų | 66 | 87.1 Ų | 87.1 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N14 I16 A21 G22 | N14-A18 VanDerWaalsContact O-CB 3.25Å; N14-A18 WeakPolarHBondContact O-CB 3.22Å; N14-A18 PolarHBondContact O-N 3.09Å; I16-A18 PolarHBondContact O-N 3.32Å; A18-A21 PolarHBondContact O-N 3.35Å; A18-G22 PolarHBondContact O-N 3Å |
| 19 | K | 56.6 | Low | 58.4 | Low | 162 Ų | 162 | 84.5 Ų | 84.5 | 70% | 0.704 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.7 | -39.8 | 178.3 | -169.3 | 172.8 | -172.9 | 171.8 | 0 | 112.2 | Q15 I16 T23 | Q15-K19 WeakPolarHBondContact O-CB 3.19Å; Q15-K19 PolarHBondContact O-N 2.87Å; I16-K19 PolarHBondContact O-N 2.91Å; K19-T23 PolarHBondContact O-N 2.91Å; K19-T23 PolarHBondContact O-OG1 3.31Å |
| 20 | V | 54.5 | Low | 58.3 | Low | 92 Ų | 92 | 87.7 Ų | 87.7 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68 | -43.3 | 174.2 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | I16 G22 T23 C24 | I16-V20 HydrophobicContact CG2-CG2 4.36Å; I16-V20 WeakPolarHBondContact O-CB 3.14Å; I16-V20 VanDerWaalsContact O-CG2 3.28Å; I16-V20 WeakPolarHBondContact O-CG2 3.28Å; I16-V20 PolarHBondContact O-N 3.44Å; V20-G22 VanDerWaalsContact C-N 3.31Å; V20-G22 PolarHBondContact O-N 3.48Å; V20-T23 PolarHBondContact O-N 3.48Å; V20-C24 PolarHBondContact O-N 2.99Å |
| 21 | A | 54.7 | Low | 58.5 | Low | 61 Ų | 61 | 92.1 Ų | 92.1 | 50% | 0.504 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.2 | -27.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G17 A18 P25 | G17-A21 WeakPolarHBondContact O-CB 3.43Å; G17-A21 PolarHBondContact O-N 2.91Å; A18-A21 PolarHBondContact O-N 3.35Å; A21-P25 WeakPolarHBondContact O-CD 3.18Å; A21-P25 WeakPolarHBondContact O-CG 3.06Å |
| 22 | G | 57.5 | Low | 58.2 | Low | 59 Ų | 59 | 97.2 Ų | 97.2 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -79.5 | -24.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A18 V20 | A18-G22 PolarHBondContact O-N 3Å; V20-G22 VanDerWaalsContact C-N 3.31Å; V20-G22 PolarHBondContact O-N 3.48Å |
| 23 | T | 55.6 | Low | 58.3 | Low | 98 Ų | 98 | 97.8 Ų | 97.8 | 60% | 0.601 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -86.3 | -27.8 | -179.6 | -42.8 | 0 | 0 | 0 | 0 | 112 | K19 V20 | K19-T23 PolarHBondContact O-N 2.91Å; K19-T23 PolarHBondContact O-OG1 3.31Å; V20-T23 PolarHBondContact O-N 3.48Å |
| 24 | C | 57.8 | Low | 58.2 | Low | 50 Ų | 50 | 107.4 Ų | 107.4 | 34% | 0.338 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -117.4 | 9.9 | -168.7 | -71.3 | 0 | 0 | 0 | 0 | 118.8 | V20 C28 | V20-C24 PolarHBondContact O-N 2.99Å; C24-C28 WeakPolarHBondContact O-CB 3.39Å; C24-C28 PolarHBondContact O-N 2.92Å; C24-C28 PolarHBondContact O-SG 3.27Å |
| 25 | P | 58.3 | Low | 57.9 | Low | 75 Ų | 75 | 104.7 Ų | 104.7 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.2 | -40.8 | 179.9 | 22.2 | -14.8 | 0 | 0 | 0 | 111 | A21 S29 | A21-P25 WeakPolarHBondContact O-CD 3.18Å; A21-P25 WeakPolarHBondContact O-CG 3.06Å; P25-S29 VanDerWaalsContact O-CB 3.23Å; P25-S29 WeakPolarHBondContact O-CB 3.1Å; P25-S29 PolarHBondContact O-N 3.4Å; P25-S29 VanDerWaalsContact O-N 3.09Å; P25-S29 PolarHBondContact O-OG 3.12Å |
| 26 | A | 56.8 | Low | 57.5 | Low | 77 Ų | 77 | 102.9 Ų | 102.9 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S29 W30 | A26-S29 PolarHBondContact O-N 3.32Å; A26-W30 VanDerWaalsContact O-CB 3.25Å; A26-W30 WeakPolarHBondContact O-CB 3.39Å; A26-W30 PolarHBondContact O-N 3.26Å |
| 27 | L | 58.5 | Low | 57.3 | Low | 105 Ų | 105 | 108.7 Ų | 108.7 | 55% | 0.55 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.1 | -42.6 | 178.2 | -98.8 | 149.9 | 0 | 0 | 0 | 112.4 | W30 I31 | L27-W30 PolarHBondContact O-N 2.66Å; L27-I31 WeakPolarHBondContact O-CD1 3.48Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.23Å; L27-I31 PolarHBondContact O-N 3.09Å; L27-I31 VanDerWaalsContact O-N 3.07Å |
| 28 | C | 60.8 | Low | 57 | Low | 65 Ų | 65 | 112.2 Ų | 112.2 | 44% | 0.439 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.2 | -40.1 | 175.1 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | C24 W30 I31 W32 | C24-C28 WeakPolarHBondContact O-CB 3.39Å; C24-C28 PolarHBondContact O-N 2.92Å; C24-C28 PolarHBondContact O-SG 3.27Å; C28-W30 VanDerWaalsContact C-N 3.31Å; C28-W30 PolarHBondContact O-N 3.22Å; C28-I31 PolarHBondContact O-N 2.98Å; C28-W32 WeakPolarHBondContact O-CB 3.25Å; C28-W32 PolarHBondContact O-N 3.41Å |
| 29 | S | 57 | Low | 56.5 | Low | 74 Ų | 74 | 116.2 Ų | 116.2 | 52% | 0.517 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.2 | -34.4 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | P25 A26 S33 | P25-S29 VanDerWaalsContact O-CB 3.23Å; P25-S29 WeakPolarHBondContact O-CB 3.1Å; P25-S29 PolarHBondContact O-N 3.4Å; P25-S29 VanDerWaalsContact O-N 3.09Å; P25-S29 PolarHBondContact O-OG 3.12Å; A26-S29 PolarHBondContact O-N 3.32Å; S29-S33 WeakPolarHBondContact O-CB 3.25Å; S29-S33 PolarHBondContact O-N 2.77Å; S29-S33 VanDerWaalsContact O-N 3.09Å; S29-S33 PolarHBondContact O-OG 3.31Å |
| 30 | W | 54.8 | Low | 56.3 | Low | 182 Ų | 182 | 113.3 Ų | 113.3 | 69% | 0.689 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.2 | -42.8 | 176.3 | -174.5 | -81.3 | 0 | 0 | 0 | 112.4 | A26 L27 C28 | A26-W30 VanDerWaalsContact O-CB 3.25Å; A26-W30 WeakPolarHBondContact O-CB 3.39Å; A26-W30 PolarHBondContact O-N 3.26Å; L27-W30 PolarHBondContact O-N 2.66Å; C28-W30 VanDerWaalsContact C-N 3.31Å; C28-W30 PolarHBondContact O-N 3.22Å |
| 31 | I | 63.3 | Low | 56.5 | Low | 128 Ų | 128 | 112.7 Ų | 112.7 | 66% | 0.656 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.2 | -34 | 179.9 | -64.4 | 162.5 | 0 | 0 | 0 | 111.4 | L27 C28 | L27-I31 WeakPolarHBondContact O-CD1 3.48Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.23Å; L27-I31 PolarHBondContact O-N 3.09Å; L27-I31 VanDerWaalsContact O-N 3.07Å; C28-I31 PolarHBondContact O-N 2.98Å |
| 32 | W | 54.4 | Low | 56.5 | Low | 224 Ų | 224 | 121.5 Ų | 121.5 | 85% | 0.848 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -83.5 | -14.4 | 179 | -106.7 | -18.4 | 0 | 0 | 0 | 115 | C28 R34 | C28-W32 WeakPolarHBondContact O-CB 3.25Å; C28-W32 PolarHBondContact O-N 3.41Å; W32-R34 VanDerWaalsContact C-N 3.34Å; W32-R34 PolarHBondContact O-N 2.72Å |
| 33 | S | 61.5 | Low | 56.9 | Low | 78 Ų | 78 | 121 Ų | 121 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | | | trans | -72.9 | 92.4 | 171.6 | -65.3 | 0 | 0 | 0 | 0 | 108.9 | S29 A35 | S29-S33 WeakPolarHBondContact O-CB 3.25Å; S29-S33 PolarHBondContact O-N 2.77Å; S29-S33 VanDerWaalsContact O-N 3.09Å; S29-S33 PolarHBondContact O-OG 3.31Å; S33-A35 PolarHBondContact O-N 3.09Å |
| 34 | R | 58.1 | Low | 57 | Low | 239 Ų | 239 | 122.6 Ų | 122.6 | 90% | 0.902 | 66% | 0.66 | S | S | * | * | | | trans | -70.8 | 34.7 | 175.6 | -144.3 | -177.2 | -65.9 | -169.8 | -0.2 | 112 | W32 | W32-R34 VanDerWaalsContact C-N 3.34Å; W32-R34 PolarHBondContact O-N 2.72Å |
| 35 | A | 57.7 | Low | 57.1 | Low | 69 Ų | 69 | 125.9 Ų | 125.9 | 57% | 0.57 | 68% | 0.683 | S | S | * | * | | | trans | -72.7 | 137.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | S33 W37 | S33-A35 PolarHBondContact O-N 3.09Å; A35-W37 PolarHBondContact O-N 3.09Å |
| 36 | P | 51.1 | Low | 57.1 | Low | 106 Ų | 106 | 125.4 Ų | 125.4 | 69% | 0.688 | 69% | 0.692 | S | S | * | * | | | trans | -53.3 | 141.5 | 174.2 | -18.9 | 29.7 | 0 | 0 | 0 | 108.7 | T38 | P36-T38 PolarHBondContact O-N 3.41Å; P36-T38 PolarHBondContact O-OG1 3.07Å |
| 37 | W | 55.5 | Low | 57.3 | Low | 231 Ų | 231 | 133 Ų | 133 | 88% | 0.875 | 70% | 0.704 | S | S | * | * | | | trans | -64.3 | 52.3 | 177.7 | -62.9 | 86.6 | 0 | 0 | 0 | 112.4 | A35 L39 | A35-W37 PolarHBondContact O-N 3.09Å; W37-L39 PolarHBondContact O-N 3.45Å |
| 38 | T | 54.4 | Low | 57.3 | Low | 116 Ų | 116 | 133.9 Ų | 133.9 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | | | trans | -75.2 | 99.3 | 178.9 | -52.8 | 0 | 0 | 0 | 0 | 107.2 | P36 | P36-T38 PolarHBondContact O-N 3.41Å; P36-T38 PolarHBondContact O-OG1 3.07Å |
| 39 | L | 47.1 | Very low | 57.4 | Low | 150 Ų | 150 | 135.9 Ų | 135.9 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | trans | 52.1 | 87.6 | 166.8 | -109.7 | 93 | 0 | 0 | 0 | 114.1 | W37 A41 | W37-L39 PolarHBondContact O-N 3.45Å; L39-A41 PolarHBondContact O-N 3.38Å |
| 40 | C | 53.8 | Low | 57.5 | Low | 100 Ų | 100 | 135.2 Ų | 135.2 | 68% | 0.676 | 74% | 0.738 | S | S | * | * | | | trans | -60.8 | 86.1 | 141.6 | -68.9 | 0 | 0 | 0 | 0 | 106.7 | R42 | C40-R42 PolarHBondContact O-N 3.42Š|
| 41 | A | 57.5 | Low | 57.6 | Low | 80 Ų | 80 | 134.9 Ų | 134.9 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | | | trans | -52.7 | 113.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | L39 G43 | L39-A41 PolarHBondContact O-N 3.38Å; A41-G43 PolarHBondContact O-N 2.89Å |
| 42 | R | 55.5 | Low | 57.2 | Low | 246 Ų | 246 | 134.6 Ų | 134.6 | 93% | 0.928 | 75% | 0.749 | S | S | * | * | | | trans | -62.1 | 85 | -178.2 | 176.4 | 170.1 | 167.4 | 169.5 | -4.5 | 108.1 | C40 | C40-R42 PolarHBondContact O-N 3.42Š|
| 43 | G | 64.7 | Low | 57.4 | Low | 48 Ų | 48 | 129.2 Ų | 129.2 | 50% | 0.495 | 74% | 0.741 | S | S | . | * | | | trans | -61.3 | 146.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | A41 S45 | A41-G43 PolarHBondContact O-N 2.89Å; G43-S45 PolarHBondContact O-N 3.03Å |
| 44 | P | 59.4 | Low | 57.3 | Low | 132 Ų | 132 | 130.6 Ų | 130.6 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | | | trans | -58.7 | 106.9 | 176.5 | 23.4 | -30.5 | 0 | 0 | 0 | 108.1 | G46 | P44-G46 VanDerWaalsContact C-N 3.31Å; P44-G46 PolarHBondContact O-N 3.19Å |
| 45 | S | 59.5 | Low | 57.5 | Low | 119 Ų | 119 | 123.8 Ų | 123.8 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | | | trans | -61.4 | 98.1 | 172.6 | -179.4 | 0 | 0 | 0 | 0 | 106.7 | G43 R47 | G43-S45 PolarHBondContact O-N 3.03Å; S45-R47 PolarHBondContact O-N 2.86Å |
| 46 | G | 57.9 | Low | 57.6 | Low | 64 Ų | 64 | 126.2 Ų | 126.2 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | | | trans | -49.2 | 126.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | P44 S48 | P44-G46 VanDerWaalsContact C-N 3.31Å; P44-G46 PolarHBondContact O-N 3.19Å; G46-S48 PolarHBondContact O-N 2.89Å |
| 47 | R | 60.3 | Low | 57.9 | Low | 238 Ų | 238 | 126.6 Ų | 126.6 | 90% | 0.898 | 75% | 0.753 | S | S | * | * | | | trans | -53.7 | 105.3 | 176.6 | -94 | 172.7 | 152.8 | -117.1 | 1 | 108.5 | S45 S49 | S45-R47 PolarHBondContact O-N 2.86Å; R47-S49 VanDerWaalsContact C-N 3.32Å; R47-S49 PolarHBondContact O-N 2.99Å |
| 48 | S | 59.4 | Low | 58.5 | Low | 123 Ų | 123 | 121.3 Ų | 121.3 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | -72.2 | 93.3 | 167.1 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | G46 | G46-S48 PolarHBondContact O-N 2.89Š|
| 49 | S | 61.9 | Low | 59.1 | Low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -102 | 77.9 | 171.6 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | R47 | R47-S49 VanDerWaalsContact C-N 3.32Å; R47-S49 PolarHBondContact O-N 2.99Å |
| 50 | G | 59.2 | Low | 59.7 | Low | 60 Ų | 60 | 118.1 Ų | 118.1 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | | | trans | -105.8 | 84.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | T52 | G50-T52 PolarHBondContact O-N 2.83Å; G50-T52 VanDerWaalsContact O-N 3.09Å |
| 51 | Q | 57.2 | Low | 60.1 | Low | 175 Ų | 175 | 118.8 Ų | 118.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | -70.9 | 102.1 | 167.7 | -175.2 | 171.2 | 81.8 | 0 | 0 | 107.4 | T53 | Q51-T53 PolarHBondContact O-N 2.94Š|
| 52 | T | 55.6 | Low | 60.3 | Low | 122 Ų | 122 | 123.9 Ų | 123.9 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -86.5 | 91.7 | 173.9 | -54.4 | 0 | 0 | 0 | 0 | 107.6 | G50 S54 | G50-T52 PolarHBondContact O-N 2.83Å; G50-T52 VanDerWaalsContact O-N 3.09Å; T52-S54 PolarHBondContact O-N 2.83Å; T52-S54 VanDerWaalsContact O-N 3.12Å |
| 53 | T | 58.3 | Low | 60.2 | Low | 111 Ų | 111 | 118.2 Ų | 118.2 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | | | trans | -74 | 97.2 | 167.9 | -59.9 | 0 | 0 | 0 | 0 | 107.8 | Q51 S55 | Q51-T53 PolarHBondContact O-N 2.94Å; T53-S55 PolarHBondContact O-N 3.42Å |
| 54 | S | 58.7 | Low | 60.1 | Low | 106 Ų | 106 | 121.8 Ų | 121.8 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -77.7 | 110.4 | 166.3 | -70 | 0 | 0 | 0 | 0 | 108.6 | T52 | T52-S54 PolarHBondContact O-N 2.83Å; T52-S54 VanDerWaalsContact O-N 3.12Å |
| 55 | S | 62.6 | Low | 60.5 | Low | 96 Ų | 96 | 117.4 Ų | 117.4 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | | | trans | -114.1 | 111.9 | 167.7 | -174.1 | 0 | 0 | 0 | 0 | 109 | T53 | T53-S55 PolarHBondContact O-N 3.42Š|
| 56 | S | 60.7 | Low | 60.4 | Low | 121 Ų | 121 | 117.4 Ų | 117.4 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | | | trans | -100.3 | 108.6 | 168.6 | -68.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 57 | V | 57.3 | Low | 60.4 | Low | 114 Ų | 114 | 124.8 Ų | 124.8 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | | | trans | -102.2 | 112 | 172.5 | 180 | 0 | 0 | 0 | 0 | 108.4 | V59 | V57-V59 HydrophobicContact CG1-CG2 4.11Š|
| 58 | S | 67.9 | Low | 60.2 | Low | 120 Ų | 120 | 120.8 Ų | 120.8 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | | | trans | -82.9 | 113.6 | 168.3 | -54.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 59 | V | 66.1 | Low | 60.4 | Low | 128 Ų | 128 | 120 Ų | 120 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | | | trans | -98.1 | 110.3 | 172.1 | -153.6 | 0 | 0 | 0 | 0 | 107.9 | V57 | V57-V59 HydrophobicContact CG1-CG2 4.11Š|
| 60 | G | 61.4 | Low | 60.4 | Low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | | | trans | -87.8 | 136 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 61 | P | 60.9 | Low | 60.1 | Low | 114 Ų | 114 | 124.4 Ų | 124.4 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | | | trans | -101.1 | 102.8 | 161.2 | -3.4 | 23.2 | 0 | 0 | 0 | 110.3 | T63 | P61-T63 PolarHBondContact O-N 3.5Å; P61-T63 VanDerWaalsContact O-N 3.08Å |
| 62 | E | 62.5 | Low | 60.1 | Low | 187 Ų | 187 | 125.2 Ų | 125.2 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | trans | -63.1 | 103.5 | 156 | -89.8 | -179.9 | 102.4 | 0 | 0 | 107.7 | T64 | E62-T64 VanDerWaalsContact C-N 3.29Å; E62-T64 PolarHBondContact O-N 2.65Å |
| 63 | T | 52.6 | Low | 60.2 | Low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -88.1 | 80.8 | 168.6 | -33.7 | 0 | 0 | 0 | 0 | 106.6 | P61 G65 | P61-T63 PolarHBondContact O-N 3.5Å; P61-T63 VanDerWaalsContact O-N 3.08Å; T63-G65 PolarHBondContact O-N 2.78Å |
| 64 | T | 63.4 | Low | 60.1 | Low | 124 Ų | 124 | 130.8 Ų | 130.8 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | | | trans | -64.4 | 93.5 | 157.4 | -64.6 | 0 | 0 | 0 | 0 | 105.6 | E62 | E62-T64 VanDerWaalsContact C-N 3.29Å; E62-T64 PolarHBondContact O-N 2.65Å |
| 65 | G | 67.1 | Low | 60 | Low | 40 Ų | 40 | 134.9 Ų | 134.9 | 41% | 0.412 | 80% | 0.799 | S | S | . | * | | | trans | -56.4 | 151.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | T63 R67 | T63-G65 PolarHBondContact O-N 2.78Å; G65-R67 PolarHBondContact O-N 2.95Å |
| 66 | P | 58.5 | Low | 59.9 | Low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -58.5 | 108.2 | 177 | 23.9 | -31 | 0 | 0 | 0 | 107.9 | D68 | P66-D68 PolarHBondContact O-N 3.03Š|
| 67 | R | 56.5 | Low | 59.8 | Low | 219 Ų | 219 | 137.6 Ų | 137.6 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | -76.6 | 89.6 | 170 | -146.2 | -165.8 | -168.2 | 178.1 | 5.1 | 106.1 | G65 T69 | G65-R67 PolarHBondContact O-N 2.95Å; R67-T69 VanDerWaalsContact C-N 3.28Å; R67-T69 HydrophobicContact CG-CG2 4.3Å; R67-T69 PolarHBondContact O-N 2.69Å |
| 68 | D | 56.4 | Low | 60 | Low | 154 Ų | 154 | 138.9 Ų | 138.9 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | | | trans | -59.9 | 96 | 162.5 | -82.6 | -41.8 | 0 | 0 | 0 | 107.9 | P66 | P66-D68 PolarHBondContact O-N 3.03Š|
| 69 | T | 63.7 | Low | 59.5 | Low | 106 Ų | 106 | 140.1 Ų | 140.1 | 65% | 0.65 | 81% | 0.808 | S | S | * | * | | | trans | -120.1 | 83.5 | 162.5 | 47.2 | 0 | 0 | 0 | 0 | 108.7 | R67 | R67-T69 VanDerWaalsContact C-N 3.28Å; R67-T69 HydrophobicContact CG-CG2 4.3Å; R67-T69 PolarHBondContact O-N 2.69Å |
| 70 | T | 62.2 | Low | 59.1 | Low | 127 Ų | 127 | 140.8 Ų | 140.8 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | trans | -147 | 115.4 | 154.7 | -66.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 71 | P | 52.1 | Low | 58.9 | Low | 132 Ų | 132 | 145.5 Ų | 145.5 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | | -136.8 | 149.1 | 101.3 | 25.8 | -7 | 0 | 0 | 0 | 114.8 | | |
| 72 | K | 58.2 | Low | 58.8 | Low | 192 Ų | 192 | 147.7 Ų | 147.7 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -71.1 | 148.9 | 177.5 | -75 | -88.1 | -173.6 | 179.9 | 0 | 112.4 | | |
| 73 | A | 57.1 | Low | 58.5 | Low | 102 Ų | 102 | 144.7 Ų | 144.7 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | | | trans | -137 | 125.2 | 142.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 74 | R | 56.2 | Low | 59 | Low | 249 Ų | 249 | 146.3 Ų | 146.3 | 94% | 0.94 | 82% | 0.82 | S | S | * | * | | | trans | -79.5 | 138.6 | 168.2 | -79.7 | 177.2 | 164.8 | 179.8 | -4.3 | 108.2 | | |
| 75 | S | 56.8 | Low | 58.6 | Low | 191 Ų | 191 | 148.3 Ų | 148.3 | 100% | 1.336 | 83% | 0.825 | S | S | * | * | | | trans | -141.6 | 0 | 146.2 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | | |