| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.6 | Very low | 45.6 | Very low | 228 Ų | 228 | 164.4 Ų | 164.4 | 100% | 1.123 | 86% | 0.856 | S | S | * | * | 0 | 83 | 0 | -73.1 | -178.6 | -102.4 | 0 | 0 | 105.5 | |||||
| 2 | E | 39.2 | Very low | 46 | Very low | 199 Ų | 199 | 171.6 Ų | 171.6 | 93% | 0.93 | 86% | 0.863 | S | S | * | * | 67.9 | 122.2 | 91.8 | -73.4 | -177.6 | 163.3 | 0 | 0 | 110.2 | |||||
| 3 | G | 39.7 | Very low | 46.5 | Very low | 74 Ų | 74 | 163.7 Ų | 163.7 | 76% | 0.763 | 85% | 0.851 | S | S | * | * | cis | 174.8 | 132.7 | 3.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 4 | E | 50.6 | Low | 47.4 | Very low | 196 Ų | 196 | 155.9 Ų | 155.9 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -75.6 | 143.2 | 178.6 | -71.9 | 175 | 134.8 | 0 | 0 | 111.7 | ||||
| 5 | T | 44.1 | Very low | 48.4 | Very low | 142 Ų | 142 | 157.7 Ų | 157.7 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | -126.3 | 123.3 | 164 | 43.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 6 | V | 49.3 | Very low | 49.3 | Very low | 132 Ų | 132 | 151.8 Ų | 151.8 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 152.4 | 178.5 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 7 | P | 46.8 | Very low | 50.4 | Low | 118 Ų | 118 | 147.9 Ų | 147.9 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 130.5 | 177.3 | 7.3 | 10.2 | 0 | 0 | 0 | 112.3 | ||
| 8 | D | 45.1 | Very low | 51.6 | Low | 137 Ų | 137 | 151.2 Ų | 151.2 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 121.3 | 177.2 | 179.9 | 8.6 | 0 | 0 | 0 | 112.3 | R10 | D8-R10 PolarHBondContact OD1-N 2.92Š|
| 9 | P | 50.3 | Low | 52.9 | Low | 115 Ų | 115 | 149.1 Ų | 149.1 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -102.5 | 60.1 | -178 | 39.7 | -31.4 | 0 | 0 | 0 | 112.2 | ||||
| 10 | R | 48.4 | Very low | 54 | Low | 218 Ų | 218 | 144.6 Ų | 144.6 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | trans | -146.4 | 72.9 | 175.8 | -92.7 | -176.5 | -131.6 | -162.8 | 2.7 | 114.3 | D8 | D8-R10 PolarHBondContact OD1-N 2.92Š| ||
| 11 | R | 50.5 | Low | 55.2 | Low | 249 Ų | 249 | 143.2 Ų | 143.2 | 94% | 0.94 | 75% | 0.749 | S | S | * | * | trans | -159.4 | 65.3 | 160.2 | -114.1 | 171.5 | -168.2 | -164.3 | 4.9 | 113.9 | ||||
| 12 | R | 50.3 | Low | 57.2 | Low | 251 Ų | 251 | 134.3 Ų | 134.3 | 95% | 0.947 | 72% | 0.716 | S | S | * | * | trans | -134.2 | 57.8 | 159.7 | -88.2 | -173.9 | 176.5 | 179.5 | -0.5 | 110.8 | S14 | R12-S14 PolarHBondContact O-N 2.81Š| ||
| 13 | G | 52.7 | Low | 59.3 | Low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -74.7 | 102.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 14 | S | 59 | Low | 61.3 | Low | 54 Ų | 54 | 132.1 Ų | 132.1 | 38% | 0.378 | 69% | 0.69 | S | S | . | * | trans | -56.2 | 143.5 | -166.8 | 81.8 | 0 | 0 | 0 | 0 | 112 | R12 A16 T17 | R12-S14 PolarHBondContact O-N 2.81Å; S14-A16 PolarHBondContact O-N 3.42Å; S14-A16 WeakPolarHBondContact OG-CB 3.41Å; S14-A16 PolarHBondContact OG-N 2.8Å; S14-T17 WeakPolarHBondContact O-CB 3.49Å; S14-T17 PolarHBondContact O-N 3.02Å; S14-T17 PolarHBondContact O-OG1 3.3Å; S14-T17 PolarHBondContact OG-N 2.94Å; S14-T17 PolarHBondContact OG-OG1 3.13Å | ||
| 15 | K | 62.8 | Low | 63 | Low | 184 Ų | 184 | 126.5 Ų | 126.5 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -46.4 | -33.8 | 166.2 | -120 | 177.3 | 178.7 | -178.9 | 0 | 111.1 | T17 R18 I19 | K15-T17 VanDerWaalsContact C-N 3.35Å; K15-T17 PolarHBondContact O-N 3.37Å; K15-R18 PolarHBondContact O-N 3.28Å; K15-I19 VanDerWaalsContact O-CG1 3.29Å; K15-I19 WeakPolarHBondContact O-CG1 3.45Å; K15-I19 PolarHBondContact O-N 3.46Å |
| 16 | A | 63 | Low | 64.8 | Low | 62 Ų | 62 | 123.1 Ų | 123.1 | 51% | 0.512 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -63.9 | -33 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S14 I19 A20 | S14-A16 PolarHBondContact O-N 3.42Å; S14-A16 WeakPolarHBondContact OG-CB 3.41Å; S14-A16 PolarHBondContact OG-N 2.8Å; A16-I19 PolarHBondContact O-N 2.89Å; A16-A20 WeakPolarHBondContact O-CB 3.39Å; A16-A20 PolarHBondContact O-N 3.37Å |
| 17 | T | 66.9 | Low | 66.3 | Low | 87 Ų | 87 | 120 Ų | 120 | 53% | 0.534 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.3 | -37.3 | 178 | -38.2 | 0 | 0 | 0 | 0 | 111.6 | S14 K15 L21 | S14-T17 WeakPolarHBondContact O-CB 3.49Å; S14-T17 PolarHBondContact O-N 3.02Å; S14-T17 PolarHBondContact O-OG1 3.3Å; S14-T17 PolarHBondContact OG-N 2.94Å; S14-T17 PolarHBondContact OG-OG1 3.13Å; K15-T17 VanDerWaalsContact C-N 3.35Å; K15-T17 PolarHBondContact O-N 3.37Å; T17-L21 WeakPolarHBondContact O-CB 2.74Å; T17-L21 PolarHBondContact O-N 2.95Å |
| 18 | R | 73.3 | Confident | 68.2 | Low | 207 Ų | 207 | 117.9 Ų | 117.9 | 78% | 0.781 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72 | -37.8 | 175.2 | -69.3 | -176.2 | -179.3 | -178.9 | -1 | 112.3 | K15 G22 | K15-R18 PolarHBondContact O-N 3.28Å; R18-G22 PolarHBondContact O-N 3.36Å |
| 19 | I | 75.8 | Confident | 70.3 | Confident | 111 Ų | 111 | 115.5 Ų | 115.5 | 57% | 0.569 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.5 | -45.6 | 173.5 | -66.7 | 166.5 | 0 | 0 | 0 | 109.9 | K15 A16 L21 G22 V23 | K15-I19 VanDerWaalsContact O-CG1 3.29Å; K15-I19 WeakPolarHBondContact O-CG1 3.45Å; K15-I19 PolarHBondContact O-N 3.46Å; A16-I19 PolarHBondContact O-N 2.89Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.21Å; I19-G22 PolarHBondContact O-N 3.26Å; I19-V23 HydrophobicContact CG2-CG2 4.36Å; I19-V23 WeakPolarHBondContact O-CB 3.19Å; I19-V23 VanDerWaalsContact O-CG2 3.3Å; I19-V23 WeakPolarHBondContact O-CG2 3.38Å; I19-V23 PolarHBondContact O-N 3.19Å |
| 20 | A | 74.9 | Confident | 72 | Confident | 59 Ų | 59 | 114.1 Ų | 114.1 | 49% | 0.488 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.8 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A16 V23 F24 | A16-A20 WeakPolarHBondContact O-CB 3.39Å; A16-A20 PolarHBondContact O-N 3.37Å; A20-V23 PolarHBondContact O-N 2.84Å; A20-F24 VanDerWaalsContact O-CB 3.29Å; A20-F24 WeakPolarHBondContact O-CB 3.11Å; A20-F24 PolarHBondContact O-N 3.3Å |
| 21 | L | 78.8 | Confident | 73.8 | Confident | 115 Ų | 115 | 108.8 Ų | 108.8 | 60% | 0.602 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.1 | -41.9 | 175.9 | -157.7 | 79.6 | 0 | 0 | 0 | 111.7 | T17 I19 F24 V25 | T17-L21 WeakPolarHBondContact O-CB 2.74Å; T17-L21 PolarHBondContact O-N 2.95Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.21Å; L21-F24 PolarHBondContact O-N 3.17Å; L21-V25 WeakPolarHBondContact O-CB 3.46Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 3.35Å |
| 22 | G | 80.9 | Confident | 75.6 | Confident | 42 Ų | 42 | 98.8 Ų | 98.8 | 43% | 0.433 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.7 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R18 I19 S26 | R18-G22 PolarHBondContact O-N 3.36Å; I19-G22 PolarHBondContact O-N 3.26Å; G22-S26 VanDerWaalsContact O-CB 3.26Å; G22-S26 WeakPolarHBondContact O-CB 3.31Å; G22-S26 PolarHBondContact O-N 3.27Å |
| 23 | V | 81.6 | Confident | 77.3 | Confident | 85 Ų | 85 | 90.1 Ų | 90.1 | 52% | 0.515 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | I19 A20 S27 | I19-V23 HydrophobicContact CG2-CG2 4.36Å; I19-V23 WeakPolarHBondContact O-CB 3.19Å; I19-V23 VanDerWaalsContact O-CG2 3.3Å; I19-V23 WeakPolarHBondContact O-CG2 3.38Å; I19-V23 PolarHBondContact O-N 3.19Å; A20-V23 PolarHBondContact O-N 2.84Å; V23-S27 VanDerWaalsContact O-CB 3.23Å; V23-S27 WeakPolarHBondContact O-CB 3.45Å; V23-S27 PolarHBondContact O-N 2.84Å; V23-S27 PolarHBondContact O-OG 2.85Å |
| 24 | F | 82.9 | Confident | 78.7 | Confident | 142 Ų | 142 | 89.4 Ų | 89.4 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.4 | -46.7 | 178 | -173.3 | -97.2 | 0 | 0 | 0 | 111.8 | A20 L21 S27 T28 | A20-F24 VanDerWaalsContact O-CB 3.29Å; A20-F24 WeakPolarHBondContact O-CB 3.11Å; A20-F24 PolarHBondContact O-N 3.3Å; L21-F24 PolarHBondContact O-N 3.17Å; F24-S27 PolarHBondContact O-N 3.46Å; F24-T28 HydrophobicContact CE1-CG2 4.33Å; F24-T28 HydrophobicContact CZ-CG2 4.44Å; F24-T28 PolarHBondContact O-N 3.28Å; F24-T28 PolarHBondContact O-OG1 3.14Å |
| 25 | V | 85.3 | Confident | 79.8 | Confident | 78 Ų | 78 | 92 Ų | 92 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L21 S27 T28 V29 | L21-V25 WeakPolarHBondContact O-CB 3.46Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 3.35Å; V25-S27 VanDerWaalsContact C-N 3.34Å; V25-S27 PolarHBondContact O-N 3.49Å; V25-T28 VanDerWaalsContact CA-OG1 3.31Å; V25-T28 WeakPolarHBondContact CA-OG1 3.42Å; V25-T28 PolarHBondContact O-N 3.06Å; V25-T28 PolarHBondContact O-OG1 3.24Å; V25-T28 VanDerWaalsContact O-OG1 3.08Å; V25-V29 HydrophobicContact CG1-CG2 4.46Å; V25-V29 VanDerWaalsContact O-CG2 3.31Å; V25-V29 WeakPolarHBondContact O-CG2 3.48Å; V25-V29 PolarHBondContact O-N 3.11Å |
| 26 | S | 82.4 | Confident | 80.8 | Confident | 70 Ų | 70 | 89.3 Ų | 89.3 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.1 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | G22 V29 V30 | G22-S26 VanDerWaalsContact O-CB 3.26Å; G22-S26 WeakPolarHBondContact O-CB 3.31Å; G22-S26 PolarHBondContact O-N 3.27Å; S26-V29 PolarHBondContact O-N 3.22Å; S26-V30 WeakPolarHBondContact O-CB 3.44Å; S26-V30 VanDerWaalsContact O-CG2 3.25Å; S26-V30 WeakPolarHBondContact O-CG2 3.4Å; S26-V30 PolarHBondContact O-N 2.93Å |
| 27 | S | 80.8 | Confident | 81.7 | Confident | 68 Ų | 68 | 88.8 Ų | 88.8 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 178.3 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | V23 F24 V25 V30 L31 | V23-S27 VanDerWaalsContact O-CB 3.23Å; V23-S27 WeakPolarHBondContact O-CB 3.45Å; V23-S27 PolarHBondContact O-N 2.84Å; V23-S27 PolarHBondContact O-OG 2.85Å; F24-S27 PolarHBondContact O-N 3.46Å; V25-S27 VanDerWaalsContact C-N 3.34Å; V25-S27 PolarHBondContact O-N 3.49Å; S27-V30 PolarHBondContact O-N 2.63Å; S27-L31 VanDerWaalsContact O-CB 3.28Å; S27-L31 WeakPolarHBondContact O-CB 3.45Å; S27-L31 PolarHBondContact O-N 3.44Å |
| 28 | T | 86.3 | Confident | 82.2 | Confident | 72 Ų | 72 | 87.2 Ų | 87.2 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.7 | -37.5 | 177.5 | 27.3 | 0 | 0 | 0 | 0 | 112.5 | F24 V25 L31 G32 | F24-T28 HydrophobicContact CE1-CG2 4.33Å; F24-T28 HydrophobicContact CZ-CG2 4.44Å; F24-T28 PolarHBondContact O-N 3.28Å; F24-T28 PolarHBondContact O-OG1 3.14Å; V25-T28 VanDerWaalsContact CA-OG1 3.31Å; V25-T28 WeakPolarHBondContact CA-OG1 3.42Å; V25-T28 PolarHBondContact O-N 3.06Å; V25-T28 PolarHBondContact O-OG1 3.24Å; V25-T28 VanDerWaalsContact O-OG1 3.08Å; T28-L31 PolarHBondContact O-N 3.43Å; T28-G32 PolarHBondContact O-N 2.98Å |
| 29 | V | 88.8 | Confident | 82.5 | Confident | 88 Ų | 88 | 81.5 Ų | 81.5 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 173.6 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V25 S26 G32 T33 | V25-V29 HydrophobicContact CG1-CG2 4.46Å; V25-V29 VanDerWaalsContact O-CG2 3.31Å; V25-V29 WeakPolarHBondContact O-CG2 3.48Å; V25-V29 PolarHBondContact O-N 3.11Å; S26-V29 PolarHBondContact O-N 3.22Å; V29-G32 PolarHBondContact O-N 2.75Å; V29-T33 WeakPolarHBondContact O-CB 3.41Å; V29-T33 PolarHBondContact O-N 2.94Å; V29-T33 PolarHBondContact O-OG1 3.2Å |
| 30 | V | 87.5 | Confident | 82.7 | Confident | 86 Ų | 86 | 81.9 Ų | 81.9 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | S26 S27 G32 T33 V34 | S26-V30 WeakPolarHBondContact O-CB 3.44Å; S26-V30 VanDerWaalsContact O-CG2 3.25Å; S26-V30 WeakPolarHBondContact O-CG2 3.4Å; S26-V30 PolarHBondContact O-N 2.93Å; S27-V30 PolarHBondContact O-N 2.63Å; V30-G32 PolarHBondContact O-N 3.21Å; V30-T33 PolarHBondContact O-N 3.38Å; V30-V34 HydrophobicContact CG1-CG2 4.48Å; V30-V34 WeakPolarHBondContact O-CG2 3.4Å; V30-V34 PolarHBondContact O-N 3.16Å |
| 31 | L | 85.6 | Confident | 82 | Confident | 106 Ų | 106 | 81.3 Ų | 81.3 | 56% | 0.555 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 178.6 | -167.6 | 72.6 | 0 | 0 | 0 | 111.8 | S27 T28 T33 V34 L35 | S27-L31 VanDerWaalsContact O-CB 3.28Å; S27-L31 WeakPolarHBondContact O-CB 3.45Å; S27-L31 PolarHBondContact O-N 3.44Å; T28-L31 PolarHBondContact O-N 3.43Å; L31-T33 VanDerWaalsContact C-N 3.33Å; L31-T33 PolarHBondContact O-N 3.04Å; L31-V34 PolarHBondContact O-N 3.38Å; L31-L35 HydrophobicContact CG-CD1 4.18Å; L31-L35 WeakPolarHBondContact O-CB 3.25Å; L31-L35 VanDerWaalsContact O-CG 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.34Å; L31-L35 PolarHBondContact O-N 2.97Å |
| 32 | G | 88.5 | Confident | 81.7 | Confident | 38 Ų | 38 | 81.9 Ų | 81.9 | 39% | 0.392 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T28 V29 V30 F36 | T28-G32 PolarHBondContact O-N 2.98Å; V29-G32 PolarHBondContact O-N 2.75Å; V30-G32 PolarHBondContact O-N 3.21Å; G32-F36 VanDerWaalsContact O-CB 3.25Å; G32-F36 WeakPolarHBondContact O-CB 3.37Å; G32-F36 PolarHBondContact O-N 3.09Å |
| 33 | T | 85.4 | Confident | 80.7 | Confident | 70 Ų | 70 | 82.9 Ų | 82.9 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 176.2 | -51 | 0 | 0 | 0 | 0 | 111.1 | V29 V30 L31 F36 L37 | V29-T33 WeakPolarHBondContact O-CB 3.41Å; V29-T33 PolarHBondContact O-N 2.94Å; V29-T33 PolarHBondContact O-OG1 3.2Å; V30-T33 PolarHBondContact O-N 3.38Å; L31-T33 VanDerWaalsContact C-N 3.33Å; L31-T33 PolarHBondContact O-N 3.04Å; T33-F36 PolarHBondContact O-N 3.41Å; T33-L37 HydrophobicContact CG2-CD1 4.06Å; T33-L37 HydrophobicContact CG2-CG 4.43Å; T33-L37 WeakPolarHBondContact O-CB 3.37Å; T33-L37 WeakPolarHBondContact O-CG 2.94Å; T33-L37 PolarHBondContact O-N 3.47Å |
| 34 | V | 81.5 | Confident | 79.4 | Confident | 54 Ų | 54 | 87.7 Ų | 87.7 | 33% | 0.327 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | V30 L31 F36 L37 V38 | V30-V34 HydrophobicContact CG1-CG2 4.48Å; V30-V34 WeakPolarHBondContact O-CG2 3.4Å; V30-V34 PolarHBondContact O-N 3.16Å; L31-V34 PolarHBondContact O-N 3.38Å; V34-F36 VanDerWaalsContact C-N 3.33Å; V34-F36 PolarHBondContact O-N 2.85Å; V34-L37 PolarHBondContact O-N 2.88Å; V34-V38 HydrophobicContact CG1-CG2 4.38Å; V34-V38 VanDerWaalsContact O-CG2 3.23Å; V34-V38 WeakPolarHBondContact O-CG2 3.45Å; V34-V38 PolarHBondContact O-N 2.95Å |
| 35 | L | 83.2 | Confident | 78.2 | Confident | 109 Ų | 109 | 88.6 Ų | 88.6 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.9 | -39.1 | 177.8 | -72.9 | 168.9 | 0 | 0 | 0 | 112.3 | L31 V38 S39 | L31-L35 HydrophobicContact CG-CD1 4.18Å; L31-L35 WeakPolarHBondContact O-CB 3.25Å; L31-L35 VanDerWaalsContact O-CG 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.34Å; L31-L35 PolarHBondContact O-N 2.97Å; L35-V38 PolarHBondContact O-N 3.07Å; L35-S39 WeakPolarHBondContact O-CB 3.49Å; L35-S39 PolarHBondContact O-N 3.31Å; L35-S39 PolarHBondContact O-OG 3.34Å |
| 36 | F | 84.4 | Confident | 76.4 | Confident | 126 Ų | 126 | 93.4 Ų | 93.4 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -42.6 | 174.2 | -179.5 | -99 | 0 | 0 | 0 | 112 | G32 T33 V34 V38 S39 Q40 | G32-F36 VanDerWaalsContact O-CB 3.25Å; G32-F36 WeakPolarHBondContact O-CB 3.37Å; G32-F36 PolarHBondContact O-N 3.09Å; T33-F36 PolarHBondContact O-N 3.41Å; V34-F36 VanDerWaalsContact C-N 3.33Å; V34-F36 PolarHBondContact O-N 2.85Å; F36-V38 VanDerWaalsContact C-N 3.34Å; F36-V38 PolarHBondContact O-N 2.9Å; F36-S39 PolarHBondContact O-N 3.09Å; F36-S39 PolarHBondContact O-OG 2.88Å; F36-Q40 HydrophobicContact CD1-CG 4.35Å; F36-Q40 HydrophobicContact CE1-CG 4Å; F36-Q40 HydrophobicContact CE2-CG 4.21Å; F36-Q40 HydrophobicContact CZ-CG 3.92Å; F36-Q40 WeakPolarHBondContact O-CB 3.4Å; F36-Q40 VanDerWaalsContact O-CG 3.25Å; F36-Q40 WeakPolarHBondContact O-CG 3.42Å; F36-Q40 PolarHBondContact O-N 3.41Å |
| 37 | L | 81.1 | Confident | 75.2 | Confident | 52 Ų | 52 | 98.6 Ų | 98.6 | 27% | 0.272 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.1 | -32.9 | 176.7 | -69.7 | 172.5 | 0 | 0 | 0 | 112.5 | T33 V34 G41 L42 I43 | T33-L37 HydrophobicContact CG2-CD1 4.06Å; T33-L37 HydrophobicContact CG2-CG 4.43Å; T33-L37 WeakPolarHBondContact O-CB 3.37Å; T33-L37 WeakPolarHBondContact O-CG 2.94Å; T33-L37 PolarHBondContact O-N 3.47Å; V34-L37 PolarHBondContact O-N 2.88Å; L37-G41 PolarHBondContact O-N 3.3Å; L37-L42 HydrophobicContact CB-CB 4.45Å; L37-L42 HydrophobicContact CD2-CB 4.06Å; L37-L42 HydrophobicContact CD2-CD1 3.7Å; L37-L42 PolarHBondContact O-N 3.12Å; L37-I43 HydrophobicContact CB-CB 4.46Å; L37-I43 HydrophobicContact CB-CD1 3.55Å; L37-I43 HydrophobicContact CB-CG1 3.81Å; L37-I43 HydrophobicContact CD1-CD1 3.77Å; L37-I43 HydrophobicContact CD1-CG1 4.45Å; L37-I43 HydrophobicContact CG-CD1 4.32Å; L37-I43 PolarHBondContact O-N 3.45Å; L37-I43 VanDerWaalsContact O-N 3.11Å |
| 38 | V | 78.3 | Confident | 74.2 | Confident | 54 Ų | 54 | 105 Ų | 105 | 33% | 0.327 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.5 | -42.8 | 172.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | V34 L35 F36 Q40 G41 I43 F45 | V34-V38 HydrophobicContact CG1-CG2 4.38Å; V34-V38 VanDerWaalsContact O-CG2 3.23Å; V34-V38 WeakPolarHBondContact O-CG2 3.45Å; V34-V38 PolarHBondContact O-N 2.95Å; L35-V38 PolarHBondContact O-N 3.07Å; F36-V38 VanDerWaalsContact C-N 3.34Å; F36-V38 PolarHBondContact O-N 2.9Å; V38-Q40 VanDerWaalsContact C-N 3.32Å; V38-Q40 PolarHBondContact O-N 3.11Å; V38-G41 PolarHBondContact O-N 3.37Å; V38-G41 VanDerWaalsContact O-N 3.07Å; V38-I43 HydrophobicContact CG2-CB 3.98Å; V38-I43 HydrophobicContact CG2-CG2 4.02Å; V38-F45 HydrophobicContact CG2-CD2 4.25Å; V38-F45 HydrophobicContact CG2-CE2 3.83Å |
| 39 | S | 78.2 | Confident | 73.5 | Confident | 87 Ų | 87 | 106.6 Ų | 106.6 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.5 | -28.3 | 179.5 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | L35 F36 G41 | L35-S39 WeakPolarHBondContact O-CB 3.49Å; L35-S39 PolarHBondContact O-N 3.31Å; L35-S39 PolarHBondContact O-OG 3.34Å; F36-S39 PolarHBondContact O-N 3.09Å; F36-S39 PolarHBondContact O-OG 2.88Å; S39-G41 VanDerWaalsContact C-N 3.26Å |
| 40 | Q | 79.9 | Confident | 73.4 | Confident | 119 Ų | 119 | 109 Ų | 109 | 56% | 0.556 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -0.1 | 172.1 | -64.6 | -64.6 | -45.5 | 0 | 0 | 113.1 | F36 V38 L42 | F36-Q40 HydrophobicContact CD1-CG 4.35Å; F36-Q40 HydrophobicContact CE1-CG 4Å; F36-Q40 HydrophobicContact CE2-CG 4.21Å; F36-Q40 HydrophobicContact CZ-CG 3.92Å; F36-Q40 WeakPolarHBondContact O-CB 3.4Å; F36-Q40 VanDerWaalsContact O-CG 3.25Å; F36-Q40 WeakPolarHBondContact O-CG 3.42Å; F36-Q40 PolarHBondContact O-N 3.41Å; V38-Q40 VanDerWaalsContact C-N 3.32Å; V38-Q40 PolarHBondContact O-N 3.11Å; Q40-L42 HydrophobicContact CB-CD1 3.96Å; Q40-L42 HydrophobicContact CB-CG 4.15Å; Q40-L42 PolarHBondContact O-N 2.71Å |
| 41 | G | 61.7 | Low | 73.7 | Confident | 46 Ų | 46 | 109.6 Ų | 109.6 | 47% | 0.474 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 69.2 | 11.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L37 V38 S39 | L37-G41 PolarHBondContact O-N 3.3Å; V38-G41 PolarHBondContact O-N 3.37Å; V38-G41 VanDerWaalsContact O-N 3.07Å; S39-G41 VanDerWaalsContact C-N 3.26Å |
| 42 | L | 72.4 | Confident | 74.1 | Confident | 128 Ų | 128 | 105.6 Ų | 105.6 | 67% | 0.67 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -79.4 | -23.8 | 179.2 | -69 | 167.3 | 0 | 0 | 0 | 112.2 | L37 Q40 | L37-L42 HydrophobicContact CB-CB 4.45Å; L37-L42 HydrophobicContact CD2-CB 4.06Å; L37-L42 HydrophobicContact CD2-CD1 3.7Å; L37-L42 PolarHBondContact O-N 3.12Å; Q40-L42 HydrophobicContact CB-CD1 3.96Å; Q40-L42 HydrophobicContact CB-CG 4.15Å; Q40-L42 PolarHBondContact O-N 2.71Å |
| 43 | I | 59.7 | Low | 74.5 | Confident | 62 Ų | 62 | 109.9 Ų | 109.9 | 32% | 0.318 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -116.5 | 106.6 | 167.3 | -64.5 | 173.5 | 0 | 0 | 0 | 107.9 | L37 V38 | L37-I43 HydrophobicContact CB-CB 4.46Å; L37-I43 HydrophobicContact CB-CD1 3.55Å; L37-I43 HydrophobicContact CB-CG1 3.81Å; L37-I43 HydrophobicContact CD1-CD1 3.77Å; L37-I43 HydrophobicContact CD1-CG1 4.45Å; L37-I43 HydrophobicContact CG-CD1 4.32Å; L37-I43 PolarHBondContact O-N 3.45Å; L37-I43 VanDerWaalsContact O-N 3.11Å; V38-I43 HydrophobicContact CG2-CB 3.98Å; V38-I43 HydrophobicContact CG2-CG2 4.02Å |
| 44 | K | 53.9 | Low | 75 | Confident | 187 Ų | 187 | 109.7 Ų | 109.7 | 81% | 0.813 | 55% | 0.547 | S | S | * | . | trans | -87.5 | 116.7 | 163.4 | -72.4 | -175.9 | 177.6 | -176.6 | 0 | 107.7 | Q46 | K44-Q46 PolarHBondContact O-N 3.26Š| ||
| 45 | F | 56.4 | Low | 75.7 | Confident | 161 Ų | 161 | 111.1 Ų | 111.1 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | trans | -59.1 | 124.6 | 160.4 | -82 | -84.3 | 0 | 0 | 0 | 106.8 | V38 E47 | V38-F45 HydrophobicContact CG2-CD2 4.25Å; V38-F45 HydrophobicContact CG2-CE2 3.83Å; F45-E47 PolarHBondContact O-N 3.35Å | ||
| 46 | Q | 48.9 | Very low | 76.3 | Confident | 179 Ų | 179 | 108.6 Ų | 108.6 | 84% | 0.836 | 55% | 0.545 | S | S | * | . | trans | -60.6 | 107.5 | 174 | -167.1 | 171 | -2.7 | 0 | 0 | 106.5 | K44 K48 | K44-Q46 PolarHBondContact O-N 3.26Å; Q46-K48 PolarHBondContact O-N 3.39Å | ||
| 47 | E | 56.5 | Low | 76.8 | Confident | 178 Ų | 178 | 102.7 Ų | 102.7 | 83% | 0.832 | 52% | 0.52 | S | S | * | . | trans | -51.5 | 128.1 | 171.3 | -82.4 | -177.1 | 164.3 | 0 | 0 | 107.2 | F45 Q49 | F45-E47 PolarHBondContact O-N 3.35Å; E47-Q49 PolarHBondContact O-N 2.91Å | ||
| 48 | K | 60.6 | Low | 77.5 | Confident | 203 Ų | 203 | 104.6 Ų | 104.6 | 88% | 0.883 | 53% | 0.529 | S | S | * | . | trans | -61 | 110.5 | -177.8 | -163.2 | 179.5 | -174.3 | -177.4 | 0 | 106.7 | Q46 Q50 | Q46-K48 PolarHBondContact O-N 3.39Å; K48-Q50 PolarHBondContact O-N 3.28Å | ||
| 49 | Q | 70.7 | Confident | 78.4 | Confident | 105 Ų | 105 | 106.1 Ų | 106.1 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | trans | -51.8 | 114.8 | -176.5 | -167.2 | 158.8 | 10.4 | 0 | 0 | 109.1 | E47 Y51 L670 | E47-Q49 PolarHBondContact O-N 2.91Å; Q49-Y51 HydrophobicContact CB-CE2 4.1Å; Q49-Y51 HydrophobicContact CG-CE2 4.13Å; Q49-Y51 VanDerWaalsContact O-CD2 3.22Å; Q49-Y51 WeakPolarHBondContact O-CD2 3.3Å; Q49-Y51 WeakPolarHBondContact O-CE2 3.49Å; Q49-L670 HydrophobicContact CG-CD1 3.63Å | ||
| 50 | Q | 87.9 | Confident | 79.2 | Confident | 139 Ų | 139 | 102 Ų | 102 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | trans | -83.6 | 121.9 | -172.2 | -165.3 | -178.1 | 6.2 | 0 | 0 | 109 | K48 P669 L670 | K48-Q50 PolarHBondContact O-N 3.28Å; Q50-P669 HydrophobicContact CB-CB 4.4Å; Q50-P669 HydrophobicContact CG-CB 4.11Å; Q50-P669 HydrophobicContact CG-CG 4.45Å; Q50-P669 CarbonylContact O-C 3.48Å; Q50-P669 WeakPolarHBondContact O-CA 3.43Å; Q50-L670 PolarHBondContact O-N 3.33Å | ||
| 51 | Y | 93.2 | Very high | 80 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 39% | 0.388 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -104.4 | 141.5 | 176.9 | -67.6 | -85.9 | 0 | 0 | 0 | 110.7 | Q49 L670 | Q49-Y51 HydrophobicContact CB-CE2 4.1Å; Q49-Y51 HydrophobicContact CG-CE2 4.13Å; Q49-Y51 VanDerWaalsContact O-CD2 3.22Å; Q49-Y51 WeakPolarHBondContact O-CD2 3.3Å; Q49-Y51 WeakPolarHBondContact O-CE2 3.49Å; Y51-L670 CarbonylContact C-O 3.58Å; Y51-L670 VanDerWaalsContact CA-O 3.31Å; Y51-L670 WeakPolarHBondContact CA-O 3.16Å; Y51-L670 HydrophobicContact CD1-CB 4.06Å; Y51-L670 HydrophobicContact CE1-CB 4.19Å |
| 52 | C | 94.5 | Very high | 81.6 | Confident | 22 Ų | 22 | 97 Ų | 97 | 15% | 0.149 | 48% | 0.478 | C | S | . | . | trans | -82.3 | 115.4 | 170.1 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | T54 C57 P669 L670 P672 | C52-T54 PolarHBondContact SG-OG1 3.03Å; C52-T54 VanDerWaalsContact SG-OG1 3.37Å; C52-C57 HydrophobicContact CB-CB 3.57Å; C52-C57 WeakPolarHBondContact CB-SG 3.48Å; C52-C57 WeakPolarHBondContact O-CB 3.39Å; C52-C57 WeakPolarHBondContact SG-CB 3.3Å; C52-C57 CovalentContact SG-SG 2.02Å; C52-C57 PolarHBondContact SG-SG 3.49Å; C52-P669 HydrophobicContact CB-CB 4.14Å; C52-L670 PolarHBondContact N-O 3.03Å; C52-P672 VanDerWaalsContact O-CD 3.26Å; C52-P672 WeakPolarHBondContact O-CD 3.43Å | ||
| 53 | L | 95.1 | Very high | 82.6 | Confident | 128 Ų | 128 | 92.1 Ų | 92.1 | 67% | 0.67 | 46% | 0.457 | S | S | * | . | trans | -110.2 | 18.1 | -177.8 | -58.4 | 179.5 | 0 | 0 | 0 | 113.2 | P672 | L53-P672 HydrophobicContact CD2-CB 3.97Å; L53-P672 HydrophobicContact CD2-CG 4.32Å | ||
| 54 | T | 96.4 | Very high | 84.3 | Confident | 65 Ų | 65 | 89.3 Ų | 89.3 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -67.6 | 159.4 | 171.2 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | C52 E56 C57 I58 | C52-T54 PolarHBondContact SG-OG1 3.03Å; C52-T54 VanDerWaalsContact SG-OG1 3.37Å; T54-E56 WeakPolarHBondContact CB-OE2 3.4Å; T54-E56 PolarHBondContact O-N 2.95Å; T54-C57 PolarHBondContact O-N 3Å; T54-C57 PolarHBondContact OG1-N 3.48Å; T54-C57 PolarHBondContact OG1-SG 3.45Å; T54-I58 WeakPolarHBondContact O-CG1 3.39Å; T54-I58 PolarHBondContact O-N 3.12Å; T54-I58 VanDerWaalsContact O-N 3.08Å |
| 55 | S | 96.3 | Very high | 86.2 | Confident | 84 Ų | 84 | 83.8 Ų | 83.8 | 59% | 0.587 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -57.6 | -38.9 | 178.9 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | I58 E59 | S55-I58 PolarHBondContact O-N 3.1Å; S55-E59 WeakPolarHBondContact O-CB 3.32Å; S55-E59 PolarHBondContact O-N 3.24Å |
| 56 | E | 95.5 | Very high | 88 | Confident | 57 Ų | 57 | 79.1 Ų | 79.1 | 27% | 0.266 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | -179.1 | -65.3 | 72.7 | -154.8 | 0 | 0 | 111.6 | T54 E59 A60 E562 Y563 | T54-E56 WeakPolarHBondContact CB-OE2 3.4Å; T54-E56 PolarHBondContact O-N 2.95Å; E56-E59 PolarHBondContact O-N 2.93Å; E56-A60 VanDerWaalsContact O-CB 3.3Å; E56-A60 WeakPolarHBondContact O-CB 3.45Å; E56-A60 PolarHBondContact O-N 3.12Å; E56-E562 WeakPolarHBondContact CB-O 3.19Å; E56-E562 HydrophobicContact CG-CB 3.79Å; E56-Y563 HydrophobicContact CB-CD1 4.05Å; E56-Y563 HydrophobicContact CB-CD2 4.08Å; E56-Y563 HydrophobicContact CB-CE1 3.74Å; E56-Y563 HydrophobicContact CB-CE2 3.75Å; E56-Y563 HydrophobicContact CB-CG 4.19Å; E56-Y563 HydrophobicContact CG-CD2 4.13Å; E56-Y563 HydrophobicContact CG-CE1 4.33Å; E56-Y563 HydrophobicContact CG-CE2 3.51Å; E56-Y563 VanDerWaalsContact O-CE1 3.24Å; E56-Y563 WeakPolarHBondContact O-CE1 3.46Å |
| 57 | C | 95.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 175.9 | -74.8 | 0 | 0 | 0 | 0 | 112.1 | C52 T54 A60 A61 L671 | C52-C57 HydrophobicContact CB-CB 3.57Å; C52-C57 WeakPolarHBondContact CB-SG 3.48Å; C52-C57 WeakPolarHBondContact O-CB 3.39Å; C52-C57 WeakPolarHBondContact SG-CB 3.3Å; C52-C57 CovalentContact SG-SG 2.02Å; C52-C57 PolarHBondContact SG-SG 3.49Å; T54-C57 PolarHBondContact O-N 3Å; T54-C57 PolarHBondContact OG1-N 3.48Å; T54-C57 PolarHBondContact OG1-SG 3.45Å; C57-A60 PolarHBondContact O-N 3.46Å; C57-A61 VanDerWaalsContact O-CB 3.31Å; C57-A61 WeakPolarHBondContact O-CB 3.19Å; C57-A61 PolarHBondContact O-N 3.41Å; C57-L671 HydrophobicContact CB-CD2 3.66Å; C57-L671 WeakPolarHBondContact O-CD2 3.32Å |
| 58 | I | 96.4 | Very high | 92.1 | Very high | 91 Ų | 91 | 63.8 Ų | 63.8 | 47% | 0.467 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 175.8 | -64.4 | 166.8 | 0 | 0 | 0 | 110.5 | T54 S55 A61 A62 P672 | T54-I58 WeakPolarHBondContact O-CG1 3.39Å; T54-I58 PolarHBondContact O-N 3.12Å; T54-I58 VanDerWaalsContact O-N 3.08Å; S55-I58 PolarHBondContact O-N 3.1Å; I58-A61 PolarHBondContact O-N 3.14Å; I58-A62 WeakPolarHBondContact O-CB 3.48Å; I58-A62 PolarHBondContact O-N 2.96Å; I58-P672 HydrophobicContact CG1-CG 4.01Å |
| 59 | E | 95.9 | Very high | 93.9 | Very high | 86 Ų | 86 | 56 Ų | 56 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 175.5 | -170.6 | -166.6 | 143.1 | 0 | 0 | 111 | S55 E56 A61 A62 A63 K555 Y563 | S55-E59 WeakPolarHBondContact O-CB 3.32Å; S55-E59 PolarHBondContact O-N 3.24Å; E56-E59 PolarHBondContact O-N 2.93Å; E59-A61 PolarHBondContact O-N 3.3Å; E59-A62 PolarHBondContact O-N 3.3Å; E59-A63 VanDerWaalsContact O-CB 3.28Å; E59-A63 WeakPolarHBondContact O-CB 3.49Å; E59-A63 PolarHBondContact O-N 2.88Å; E59-K555 VanDerWaalsContact CD-NZ 3.25Å; E59-K555 IonicContact OE1-NZ 3.72Å; E59-K555 PolarHBondContact OE1-NZ 3.16Å; E59-K555 IonicContact OE2-NZ 2.72Å; E59-K555 PolarHBondContact OE2-NZ 3.44Å; E59-K555 VanDerWaalsContact OE2-NZ 3.12Å; E59-Y563 PolarHBondContact OE2-OH 3.23Å |
| 60 | A | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E56 C57 A63 I64 W559 Y563 L567 L671 | E56-A60 VanDerWaalsContact O-CB 3.3Å; E56-A60 WeakPolarHBondContact O-CB 3.45Å; E56-A60 PolarHBondContact O-N 3.12Å; C57-A60 PolarHBondContact O-N 3.46Å; A60-A63 PolarHBondContact O-N 3.48Å; A60-I64 VanDerWaalsContact O-CG1 3.28Å; A60-I64 WeakPolarHBondContact O-CG1 3.49Å; A60-I64 PolarHBondContact O-N 3.14Å; A60-W559 HydrophobicContact CB-CZ3 4.45Å; A60-Y563 HydrophobicContact CB-CD1 4.1Å; A60-Y563 HydrophobicContact CB-CE1 4.4Å; A60-L567 HydrophobicContact CB-CD1 3.75Å; A60-L671 HydrophobicContact CB-CD1 4.18Å; A60-L671 HydrophobicContact CB-CD2 4.49Å |
| 61 | A | 96.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C57 I58 E59 A63 I64 L65 L671 P672 L674 | C57-A61 VanDerWaalsContact O-CB 3.31Å; C57-A61 WeakPolarHBondContact O-CB 3.19Å; C57-A61 PolarHBondContact O-N 3.41Å; I58-A61 PolarHBondContact O-N 3.14Å; E59-A61 PolarHBondContact O-N 3.3Å; A61-A63 PolarHBondContact O-N 3.4Å; A61-I64 PolarHBondContact O-N 3.3Å; A61-L65 WeakPolarHBondContact O-CB 3.36Å; A61-L65 WeakPolarHBondContact O-CG 3.15Å; A61-L65 PolarHBondContact O-N 3.37Å; A61-L671 HydrophobicContact CB-CB 4.16Å; A61-P672 HydrophobicContact CB-CG 4.33Å; A61-P672 VanDerWaalsContact CB-O 3.29Å; A61-P672 WeakPolarHBondContact CB-O 3.2Å; A61-L674 HydrophobicContact CB-CD1 4.09Å |
| 62 | A | 95.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 52.8 Ų | 52.8 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I58 E59 I64 L65 S66 | I58-A62 WeakPolarHBondContact O-CB 3.48Å; I58-A62 PolarHBondContact O-N 2.96Å; E59-A62 PolarHBondContact O-N 3.3Å; A62-I64 VanDerWaalsContact C-N 3.25Å; A62-I64 PolarHBondContact O-N 2.98Å; A62-L65 PolarHBondContact O-N 2.94Å; A62-S66 PolarHBondContact O-N 3.35Å; A62-S66 VanDerWaalsContact O-N 3.08Å; A62-S66 PolarHBondContact O-OG 3.38Å; A62-S66 VanDerWaalsContact O-OG 3.12Å |
| 63 | A | 93.7 | Very high | 95.7 | Very high | 26 Ų | 26 | 55.9 Ų | 55.9 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -27.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | E59 A60 A61 S66 K67 W559 | E59-A63 VanDerWaalsContact O-CB 3.28Å; E59-A63 WeakPolarHBondContact O-CB 3.49Å; E59-A63 PolarHBondContact O-N 2.88Å; A60-A63 PolarHBondContact O-N 3.48Å; A61-A63 PolarHBondContact O-N 3.4Å; A63-S66 PolarHBondContact O-OG 2.86Å; A63-S66 VanDerWaalsContact O-OG 3.14Å; A63-K67 VanDerWaalsContact O-CD 3.29Å; A63-K67 WeakPolarHBondContact O-CD 3.43Å; A63-K67 WeakPolarHBondContact O-CE 3.37Å; A63-K67 VanDerWaalsContact O-CG 3.31Å; A63-K67 WeakPolarHBondContact O-CG 3.37Å; A63-W559 HydrophobicContact CB-CH2 4.29Å |
| 64 | I | 95.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -81.2 | -48.6 | 174.7 | -70.2 | 168.3 | 0 | 0 | 0 | 110.5 | A60 A61 A62 S66 K67 I68 L567 L671 L674 L681 L684 | A60-I64 VanDerWaalsContact O-CG1 3.28Å; A60-I64 WeakPolarHBondContact O-CG1 3.49Å; A60-I64 PolarHBondContact O-N 3.14Å; A61-I64 PolarHBondContact O-N 3.3Å; A62-I64 VanDerWaalsContact C-N 3.25Å; A62-I64 PolarHBondContact O-N 2.98Å; I64-S66 PolarHBondContact O-N 2.89Å; I64-K67 PolarHBondContact O-N 2.88Å; I64-I68 HydrophobicContact CG2-CG2 4.2Å; I64-I68 PolarHBondContact O-N 2.82Å; I64-L567 HydrophobicContact CD1-CD2 3.81Å; I64-L671 HydrophobicContact CD1-CD1 3.97Å; I64-L674 HydrophobicContact CB-CD1 4.05Å; I64-L674 HydrophobicContact CD1-CD1 4.33Å; I64-L674 HydrophobicContact CG2-CD1 3.88Å; I64-L674 HydrophobicContact CG2-CD2 4.3Å; I64-L681 HydrophobicContact CD1-CD2 3.86Å; I64-L684 HydrophobicContact CG2-CD1 4.33Å |
| 65 | L | 94.4 | Very high | 96 | Very high | 71 Ų | 71 | 48.1 Ų | 48.1 | 37% | 0.372 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.9 | -38.6 | 179.4 | -80 | 170.5 | 0 | 0 | 0 | 112.8 | A61 A62 K67 I68 L674 | A61-L65 WeakPolarHBondContact O-CB 3.36Å; A61-L65 WeakPolarHBondContact O-CG 3.15Å; A61-L65 PolarHBondContact O-N 3.37Å; A62-L65 PolarHBondContact O-N 2.94Å; L65-K67 PolarHBondContact O-N 3.15Å; L65-I68 HydrophobicContact CD2-CD1 4.18Å; L65-L674 HydrophobicContact CD1-CD2 4.39Å; L65-L674 HydrophobicContact CD2-CD2 3.36Å; L65-L674 HydrophobicContact CD2-CG 4.31Å; L65-L674 HydrophobicContact CG-CD2 3.57Å; L65-L674 HydrophobicContact CG-CG 4.11Å |
| 66 | S | 94.3 | Very high | 96 | Very high | 63 Ų | 63 | 48.2 Ų | 48.2 | 44% | 0.441 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -12.8 | 178.7 | 57.7 | 0 | 0 | 0 | 0 | 115 | A62 A63 I64 N89 | A62-S66 PolarHBondContact O-N 3.35Å; A62-S66 VanDerWaalsContact O-N 3.08Å; A62-S66 PolarHBondContact O-OG 3.38Å; A62-S66 VanDerWaalsContact O-OG 3.12Å; A63-S66 PolarHBondContact O-OG 2.86Å; A63-S66 VanDerWaalsContact O-OG 3.14Å; I64-S66 PolarHBondContact O-N 2.89Å; S66-N89 PolarHBondContact O-ND2 2.76Å |
| 67 | K | 95.4 | Very high | 96.1 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -32.9 | -175.4 | -62.1 | 177.4 | -173.7 | 160.2 | 0 | 113.2 | A63 I64 L65 A82 G85 W86 H688 | A63-K67 VanDerWaalsContact O-CD 3.29Å; A63-K67 WeakPolarHBondContact O-CD 3.43Å; A63-K67 WeakPolarHBondContact O-CE 3.37Å; A63-K67 VanDerWaalsContact O-CG 3.31Å; A63-K67 WeakPolarHBondContact O-CG 3.37Å; I64-K67 PolarHBondContact O-N 2.88Å; L65-K67 PolarHBondContact O-N 3.15Å; K67-A82 CarbonylContact C-O 3.16Å; K67-G85 WeakPolarHBondContact O-CA 3.18Å; K67-G85 PolarHBondContact O-N 2.87Å; K67-W86 HydrophobicContact CB-CB 4.16Å; K67-W86 HydrophobicContact CG-CB 3.96Å; K67-W86 HydrophobicContact CG-CG 4.38Å; K67-W86 PolarHBondContact O-N 3.18Å; K67-H688 HydrophobicContact CD-CB 4.4Å; K67-H688 VanDerWaalsContact CD-CD2 3.42Å; K67-H688 WeakPolarHBondContact CD-CD2 3.47Å |
| 68 | I | 96.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 47.3 Ų | 47.3 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | trans | -75.1 | 148.2 | -174.9 | 64.4 | 176.8 | 0 | 0 | 0 | 112.2 | I64 L65 Q70 F81 L674 F676 L684 | I64-I68 HydrophobicContact CG2-CG2 4.2Å; I64-I68 PolarHBondContact O-N 2.82Å; L65-I68 HydrophobicContact CD2-CD1 4.18Å; I68-Q70 HydrophobicContact CD1-CG 4.07Å; I68-Q70 HydrophobicContact CG1-CG 4.43Å; I68-F81 CarbonylContact C-O 3.41Å; I68-F81 WeakPolarHBondContact CA-O 3.19Å; I68-L674 HydrophobicContact CD1-CD2 4.41Å; I68-F676 HydrophobicContact CD1-CE2 3.82Å; I68-F676 HydrophobicContact CD1-CZ 4.27Å; I68-L684 HydrophobicContact CG2-CD2 3.88Å | ||
| 69 | N | 97.1 | Very high | 96.4 | Very high | 41 Ų | 41 | 43.5 Ų | 43.5 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | trans | -117.9 | 96.4 | 171.1 | 178.9 | 2.3 | 0 | 0 | 0 | 109.5 | S71 V72 F81 D84 | N69-S71 PolarHBondContact O-N 2.72Å; N69-S71 VanDerWaalsContact O-N 3.15Å; N69-S71 WeakPolarHBondContact OD1-CB 3.3Å; N69-S71 PolarHBondContact OD1-N 3.34Å; N69-S71 VanDerWaalsContact OD1-N 3.12Å; N69-V72 PolarHBondContact O-N 2.82Å; N69-F81 PolarHBondContact N-O 3.49Å; N69-F81 WeakPolarHBondContact O-CD2 3.32Å; N69-D84 HydrophobicContact CB-CB 3.77Å; N69-D84 PolarHBondContact ND2-OD2 3.33Å | ||
| 70 | Q | 94.3 | Very high | 96.5 | Very high | 137 Ų | 137 | 45 Ų | 45 | 64% | 0.64 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -8.3 | -177.5 | -64.3 | -177.5 | -4.3 | 0 | 0 | 114.2 | I68 V72 | I68-Q70 HydrophobicContact CD1-CG 4.07Å; I68-Q70 HydrophobicContact CG1-CG 4.43Å; Q70-V72 PolarHBondContact O-N 3.15Å |
| 71 | S | 96.4 | Very high | 96.6 | Very high | 117 Ų | 117 | 45.5 Ų | 45.5 | 82% | 0.818 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -7.3 | 174.4 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | N69 | N69-S71 PolarHBondContact O-N 2.72Å; N69-S71 VanDerWaalsContact O-N 3.15Å; N69-S71 WeakPolarHBondContact OD1-CB 3.3Å; N69-S71 PolarHBondContact OD1-N 3.34Å; N69-S71 VanDerWaalsContact OD1-N 3.12Å |
| 72 | V | 97.9 | Very high | 96.7 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 13% | 0.127 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -104.8 | 131.2 | 178.1 | 178.1 | 0 | 0 | 0 | 0 | 109 | N69 Q70 P74 N77 R80 F81 | N69-V72 PolarHBondContact O-N 2.82Å; Q70-V72 PolarHBondContact O-N 3.15Å; V72-P74 WeakPolarHBondContact O-CD 3.36Å; V72-N77 HydrophobicContact CG1-CB 4.23Å; V72-R80 HydrophobicContact CG1-CB 4Å; V72-R80 HydrophobicContact CG2-CB 4.28Å; V72-F81 HydrophobicContact CB-CB 4.28Å; V72-F81 HydrophobicContact CG1-CB 4.21Å; V72-F81 WeakPolarHBondContact O-CD2 3.47Å |
| 73 | D | 97.3 | Very high | 96.9 | Very high | 86 Ų | 86 | 42.6 Ų | 42.6 | 46% | 0.46 | 23% | 0.229 | S | C | . | . | trans | -66.8 | 121.5 | 173.2 | -173.4 | -25.6 | 0 | 0 | 0 | 110.1 | C75 E76 N77 | D73-C75 PolarHBondContact O-N 3.46Å; D73-C75 VanDerWaalsContact O-N 3.15Å; D73-C75 WeakPolarHBondContact OD1-CB 3.34Å; D73-C75 PolarHBondContact OD1-N 3.02Å; D73-E76 HydrophobicContact CB-CB 4.16Å; D73-E76 HydrophobicContact CB-CG 4.06Å; D73-E76 PolarHBondContact O-N 3.1Å; D73-E76 VanDerWaalsContact O-N 3.07Å; D73-N77 PolarHBondContact O-N 3.44Å; D73-N77 VanDerWaalsContact O-N 3.11Å | ||
| 74 | P | 97.6 | Very high | 97 | Very high | 25 Ų | 25 | 43.1 Ų | 43.1 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.2 | 177.8 | 24.4 | -34.4 | 0 | 0 | 0 | 113.4 | V72 F78 F81 F729 M737 | V72-P74 WeakPolarHBondContact O-CD 3.36Å; P74-F78 HydrophobicContact CB-CD2 3.64Å; P74-F78 HydrophobicContact CB-CE2 3.93Å; P74-F78 WeakPolarHBondContact O-CB 3.33Å; P74-F78 PolarHBondContact O-N 2.87Å; P74-F81 HydrophobicContact CB-CB 4.47Å; P74-F81 HydrophobicContact CB-CD1 3.86Å; P74-F81 HydrophobicContact CB-CD2 4.34Å; P74-F81 HydrophobicContact CB-CE1 4.08Å; P74-F81 HydrophobicContact CB-CG 3.97Å; P74-F81 HydrophobicContact CB-CZ 4.4Å; P74-F729 HydrophobicContact CB-CD1 3.85Å; P74-F729 HydrophobicContact CB-CE1 4.25Å; P74-F729 HydrophobicContact CB-CG 4.48Å; P74-F729 HydrophobicContact CG-CD1 3.92Å; P74-M737 WeakPolarHBondContact O-CG 3.29Å |
| 75 | C | 98.2 | Very high | 97.1 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.034 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -14.2 | 179 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | D73 C731 T735 M737 | D73-C75 PolarHBondContact O-N 3.46Å; D73-C75 VanDerWaalsContact O-N 3.15Å; D73-C75 WeakPolarHBondContact OD1-CB 3.34Å; D73-C75 PolarHBondContact OD1-N 3.02Å; C75-C731 WeakPolarHBondContact CA-SG 3.42Å; C75-C731 HydrophobicContact CB-CB 3.65Å; C75-C731 WeakPolarHBondContact CB-SG 3.25Å; C75-C731 WeakPolarHBondContact SG-CA 3.33Å; C75-C731 WeakPolarHBondContact SG-CB 3.35Å; C75-C731 CovalentContact SG-SG 2.05Å; C75-C731 PolarHBondContact SG-SG 2.86Å; C75-T735 HydrophobicContact CB-CG2 4.27Å; C75-T735 WeakPolarHBondContact O-CB 3.49Å; C75-T735 PolarHBondContact O-OG1 3.43Å; C75-M737 VanDerWaalsContact O-CB 3.23Å; C75-M737 WeakPolarHBondContact O-CB 3.39Å; C75-M737 VanDerWaalsContact O-CG 3.27Å; C75-M737 WeakPolarHBondContact O-CG 3.16Å; C75-M737 PolarHBondContact O-N 3.34Å |
| 76 | E | 97.6 | Very high | 97.2 | Very high | 87 Ų | 87 | 40.9 Ų | 40.9 | 41% | 0.407 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -42.7 | 174.6 | -70.3 | -54.6 | 141.4 | 0 | 0 | 112.7 | D73 T735 T736 | D73-E76 HydrophobicContact CB-CB 4.16Å; D73-E76 HydrophobicContact CB-CG 4.06Å; D73-E76 PolarHBondContact O-N 3.1Å; D73-E76 VanDerWaalsContact O-N 3.07Å; E76-T735 WeakPolarHBondContact OE1-CB 3.26Å; E76-T735 WeakPolarHBondContact OE1-CG2 3.23Å; E76-T736 VanDerWaalsContact O-CB 3.26Å; E76-T736 WeakPolarHBondContact O-CB 3.31Å; E76-T736 PolarHBondContact OE2-OG1 3.23Å |
| 77 | N | 97.8 | Very high | 97.3 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | trans | -152.4 | 87.3 | 176.2 | -165.8 | -39.6 | 0 | 0 | 0 | 111.5 | V72 D73 Y79 R80 F81 | V72-N77 HydrophobicContact CG1-CB 4.23Å; D73-N77 PolarHBondContact O-N 3.44Å; D73-N77 VanDerWaalsContact O-N 3.11Å; N77-Y79 VanDerWaalsContact C-N 3.26Å; N77-Y79 PolarHBondContact O-N 2.95Å; N77-Y79 PolarHBondContact OD1-N 3.08Å; N77-R80 HydrophobicContact CB-CB 4.17Å; N77-R80 HydrophobicContact CB-CG 4.4Å; N77-R80 PolarHBondContact O-N 3.14Å; N77-R80 WeakPolarHBondContact OD1-CG 3.5Å; N77-R80 PolarHBondContact OD1-N 2.98Å; N77-F81 PolarHBondContact O-N 3.45Å | ||
| 78 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.2 | -31.5 | -177.8 | -161.6 | -100.7 | 0 | 0 | 0 | 113.5 | P74 F81 A82 F683 L684 A687 V715 M719 F725 F729 M737 | P74-F78 HydrophobicContact CB-CD2 3.64Å; P74-F78 HydrophobicContact CB-CE2 3.93Å; P74-F78 WeakPolarHBondContact O-CB 3.33Å; P74-F78 PolarHBondContact O-N 2.87Å; F78-F81 HydrophobicContact CD2-CD1 4.03Å; F78-F81 AromaticContact CE2-CD1 3.79Å; F78-F81 HydrophobicContact CE2-CD1 3.79Å; F78-F81 HydrophobicContact CE2-CE1 4.04Å; F78-F81 HydrophobicContact CZ-CD1 4.37Å; F78-F81 PolarHBondContact O-N 3.05Å; F78-A82 HydrophobicContact CD1-CB 4.43Å; F78-A82 HydrophobicContact CE1-CB 4.26Å; F78-A82 VanDerWaalsContact O-CB 3.27Å; F78-A82 WeakPolarHBondContact O-CB 3.46Å; F78-A82 PolarHBondContact O-N 3.15Å; F78-F683 HydrophobicContact CE1-CB 4.42Å; F78-F683 HydrophobicContact CZ-CB 4.21Å; F78-L684 HydrophobicContact CZ-CD2 3.98Å; F78-L684 HydrophobicContact CZ-CG 4.14Å; F78-A687 HydrophobicContact CD1-CB 4.06Å; F78-A687 HydrophobicContact CE1-CB 3.85Å; F78-V715 HydrophobicContact CD1-CG1 4.03Å; F78-M719 HydrophobicContact CB-SD 4.45Å; F78-M719 HydrophobicContact CD1-CE 3.7Å; F78-M719 HydrophobicContact CD1-SD 3.32Å; F78-M719 WeakPolarHBondContact CD1-SD 3.34Å; F78-M719 HydrophobicContact CE1-CE 3.49Å; F78-M719 VanDerWaalsContact CE1-CE 3.49Å; F78-M719 HydrophobicContact CE1-SD 3.78Å; F78-M719 HydrophobicContact CG-SD 4.05Å; F78-M719 HydrophobicContact CZ-CE 4.45Å; F78-F725 HydrophobicContact CB-CE2 4.43Å; F78-F725 HydrophobicContact CB-CZ 4.03Å; F78-F725 HydrophobicContact CD1-CE2 4.02Å; F78-F725 HydrophobicContact CD1-CZ 4.45Å; F78-F725 AromaticContact CD2-CE2 3.49Å; F78-F725 HydrophobicContact CD2-CE2 3.49Å; F78-F725 VanDerWaalsContact CD2-CE2 3.49Å; F78-F725 AromaticContact CD2-CZ 3.43Å; F78-F725 HydrophobicContact CD2-CZ 3.43Å; F78-F725 VanDerWaalsContact CD2-CZ 3.43Å; F78-F725 HydrophobicContact CE1-CE2 4.09Å; F78-F725 AromaticContact CE2-CE2 3.59Å; F78-F725 HydrophobicContact CE2-CE2 3.59Å; F78-F725 AromaticContact CE2-CZ 3.95Å; F78-F725 HydrophobicContact CE2-CZ 3.95Å; F78-F725 AromaticContact CG-CE2 3.7Å; F78-F725 HydrophobicContact CG-CE2 3.7Å; F78-F725 AromaticContact CG-CZ 3.71Å; F78-F725 HydrophobicContact CG-CZ 3.71Å; F78-F725 AromaticContact CZ-CE2 3.88Å; F78-F725 HydrophobicContact CZ-CE2 3.88Å; F78-F729 HydrophobicContact CE2-CD1 4.2Å; F78-F729 HydrophobicContact CE2-CD2 4.13Å; F78-F729 AromaticContact CE2-CE1 3.7Å; F78-F729 HydrophobicContact CE2-CE1 3.7Å; F78-F729 AromaticContact CE2-CE2 3.62Å; F78-F729 HydrophobicContact CE2-CE2 3.62Å; F78-F729 HydrophobicContact CE2-CG 4.4Å; F78-F729 AromaticContact CE2-CZ 3.38Å; F78-F729 HydrophobicContact CE2-CZ 3.38Å; F78-F729 HydrophobicContact CZ-CE1 4.34Å; F78-F729 AromaticContact CZ-CE2 3.82Å; F78-F729 HydrophobicContact CZ-CE2 3.82Å; F78-F729 AromaticContact CZ-CZ 3.62Å; F78-F729 HydrophobicContact CZ-CZ 3.62Å; F78-M737 HydrophobicContact CB-CE 3.54Å; F78-M737 HydrophobicContact CB-CG 4.26Å; F78-M737 HydrophobicContact CB-SD 3.96Å; F78-M737 HydrophobicContact CG-CE 4.47Å |
| 79 | Y | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 176.8 | -178.2 | -100.8 | 0 | 0 | 0 | 111.1 | N77 A82 C83 I87 N692 P711 Q712 V715 | N77-Y79 VanDerWaalsContact C-N 3.26Å; N77-Y79 PolarHBondContact O-N 2.95Å; N77-Y79 PolarHBondContact OD1-N 3.08Å; Y79-A82 PolarHBondContact O-N 3.09Å; Y79-C83 HydrophobicContact CD2-CB 4.39Å; Y79-C83 HydrophobicContact CE1-CB 4.29Å; Y79-C83 HydrophobicContact CE2-CB 4.14Å; Y79-C83 WeakPolarHBondContact O-CA 3.4Å; Y79-C83 WeakPolarHBondContact O-CB 3.27Å; Y79-C83 PolarHBondContact O-N 2.96Å; Y79-I87 HydrophobicContact CE1-CD1 3.94Å; Y79-N692 PolarHBondContact OH-N 2.9Å; Y79-N692 PolarHBondContact OH-O 3.44Å; Y79-P711 HydrophobicContact CE2-CB 4.44Å; Y79-Q712 HydrophobicContact CD1-CB 3.51Å; Y79-Q712 HydrophobicContact CD2-CB 4.04Å; Y79-Q712 HydrophobicContact CE1-CB 3.81Å; Y79-Q712 HydrophobicContact CE2-CB 4.29Å; Y79-Q712 HydrophobicContact CG-CB 3.63Å; Y79-V715 HydrophobicContact CD2-CB 4.08Å; Y79-V715 HydrophobicContact CD2-CG2 3.89Å |
| 80 | R | 98.3 | Very high | 97.3 | Very high | 117 Ų | 117 | 52.6 Ų | 52.6 | 44% | 0.442 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 176.9 | -73.5 | -170 | 65.3 | -159.5 | -5.8 | 112.2 | V72 N77 A82 D84 | V72-R80 HydrophobicContact CG1-CB 4Å; V72-R80 HydrophobicContact CG2-CB 4.28Å; N77-R80 HydrophobicContact CB-CB 4.17Å; N77-R80 HydrophobicContact CB-CG 4.4Å; N77-R80 PolarHBondContact O-N 3.14Å; N77-R80 WeakPolarHBondContact OD1-CG 3.5Å; N77-R80 PolarHBondContact OD1-N 2.98Å; R80-A82 VanDerWaalsContact C-N 3.3Å; R80-A82 PolarHBondContact O-N 3.29Å; R80-D84 WeakPolarHBondContact CA-OD1 3.47Å; R80-D84 WeakPolarHBondContact CG-OD1 3.11Å; R80-D84 IonicContact CZ-OD2 3.28Å; R80-D84 IonicContact NE-OD1 3.89Å; R80-D84 IonicContact NE-OD2 2.71Å; R80-D84 PolarHBondContact NE-OD2 2.72Å; R80-D84 IonicContact NH2-OD2 3.88Å; R80-D84 PolarHBondContact NH2-OD2 3.07Å; R80-D84 VanDerWaalsContact NH2-OD2 3.15Å; R80-D84 WeakPolarHBondContact O-CB 3.33Å; R80-D84 PolarHBondContact O-N 3.07Å |
| 81 | F | 98.5 | Very high | 97.4 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 4% | 0.044 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.5 | -42.5 | 173.9 | 172.4 | -101.8 | 0 | 0 | 0 | 112.4 | I68 N69 V72 P74 N77 F78 F676 L684 F729 | I68-F81 CarbonylContact C-O 3.41Å; I68-F81 WeakPolarHBondContact CA-O 3.19Å; N69-F81 PolarHBondContact N-O 3.49Å; N69-F81 WeakPolarHBondContact O-CD2 3.32Å; V72-F81 HydrophobicContact CB-CB 4.28Å; V72-F81 HydrophobicContact CG1-CB 4.21Å; V72-F81 WeakPolarHBondContact O-CD2 3.47Å; P74-F81 HydrophobicContact CB-CB 4.47Å; P74-F81 HydrophobicContact CB-CD1 3.86Å; P74-F81 HydrophobicContact CB-CD2 4.34Å; P74-F81 HydrophobicContact CB-CE1 4.08Å; P74-F81 HydrophobicContact CB-CG 3.97Å; P74-F81 HydrophobicContact CB-CZ 4.4Å; N77-F81 PolarHBondContact O-N 3.45Å; F78-F81 HydrophobicContact CD2-CD1 4.03Å; F78-F81 AromaticContact CE2-CD1 3.79Å; F78-F81 HydrophobicContact CE2-CD1 3.79Å; F78-F81 HydrophobicContact CE2-CE1 4.04Å; F78-F81 HydrophobicContact CZ-CD1 4.37Å; F78-F81 PolarHBondContact O-N 3.05Å; F81-F676 HydrophobicContact CE1-CZ 4.37Å; F81-F676 HydrophobicContact CZ-CE1 4.01Å; F81-F676 AromaticContact CZ-CZ 3.68Å; F81-F676 HydrophobicContact CZ-CZ 3.68Å; F81-L684 HydrophobicContact CD1-CD2 4.2Å; F81-L684 HydrophobicContact CE1-CD2 3.84Å; F81-F729 HydrophobicContact CE1-CE1 4.31Å |
| 82 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -86.1 | -28.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K67 F78 Y79 R80 L684 A687 H688 | K67-A82 CarbonylContact C-O 3.16Å; F78-A82 HydrophobicContact CD1-CB 4.43Å; F78-A82 HydrophobicContact CE1-CB 4.26Å; F78-A82 VanDerWaalsContact O-CB 3.27Å; F78-A82 WeakPolarHBondContact O-CB 3.46Å; F78-A82 PolarHBondContact O-N 3.15Å; Y79-A82 PolarHBondContact O-N 3.09Å; R80-A82 VanDerWaalsContact C-N 3.3Å; R80-A82 PolarHBondContact O-N 3.29Å; A82-L684 HydrophobicContact CB-CD2 3.97Å; A82-A687 HydrophobicContact CB-CB 3.53Å; A82-H688 PolarHBondContact O-CD2 3.23Å; A82-H688 VanDerWaalsContact O-CD2 3.23Å; A82-H688 PolarHBondContact O-NE2 2.98Å |
| 83 | C | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -119.2 | -17.5 | -166.9 | -68.8 | 0 | 0 | 0 | 0 | 115.9 | Y79 G85 W86 I87 C691 | Y79-C83 HydrophobicContact CD2-CB 4.39Å; Y79-C83 HydrophobicContact CE1-CB 4.29Å; Y79-C83 HydrophobicContact CE2-CB 4.14Å; Y79-C83 WeakPolarHBondContact O-CA 3.4Å; Y79-C83 WeakPolarHBondContact O-CB 3.27Å; Y79-C83 PolarHBondContact O-N 2.96Å; C83-G85 PolarHBondContact O-N 3.08Å; C83-W86 PolarHBondContact O-N 3.42Å; C83-I87 HydrophobicContact CB-CD1 4.03Å; C83-I87 WeakPolarHBondContact O-CG1 3.35Å; C83-I87 PolarHBondContact O-N 3.33Å; C83-C691 WeakPolarHBondContact CA-SG 3.17Å; C83-C691 HydrophobicContact CB-CB 3.68Å; C83-C691 WeakPolarHBondContact CB-SG 3.48Å; C83-C691 WeakPolarHBondContact SG-CA 3.42Å; C83-C691 WeakPolarHBondContact SG-CB 3.47Å; C83-C691 CovalentContact SG-SG 2.04Å; C83-C691 PolarHBondContact SG-SG 3.22Å |
| 84 | D | 97.7 | Very high | 97.4 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 20% | 0.198 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.7 | -37.9 | -174.3 | -82.8 | 1.8 | 0 | 0 | 0 | 111.5 | N69 R80 I87 Y88 | N69-D84 HydrophobicContact CB-CB 3.77Å; N69-D84 PolarHBondContact ND2-OD2 3.33Å; R80-D84 WeakPolarHBondContact CA-OD1 3.47Å; R80-D84 WeakPolarHBondContact CG-OD1 3.11Å; R80-D84 IonicContact CZ-OD2 3.28Å; R80-D84 IonicContact NE-OD1 3.89Å; R80-D84 IonicContact NE-OD2 2.71Å; R80-D84 PolarHBondContact NE-OD2 2.72Å; R80-D84 IonicContact NH2-OD2 3.88Å; R80-D84 PolarHBondContact NH2-OD2 3.07Å; R80-D84 VanDerWaalsContact NH2-OD2 3.15Å; R80-D84 WeakPolarHBondContact O-CB 3.33Å; R80-D84 PolarHBondContact O-N 3.07Å; D84-I87 PolarHBondContact O-N 2.99Å; D84-Y88 VanDerWaalsContact O-CB 3.25Å; D84-Y88 WeakPolarHBondContact O-CB 3.44Å; D84-Y88 PolarHBondContact O-N 3.34Å |
| 85 | G | 97.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K67 C83 N89 | K67-G85 WeakPolarHBondContact O-CA 3.18Å; K67-G85 PolarHBondContact O-N 2.87Å; C83-G85 PolarHBondContact O-N 3.08Å; G85-N89 WeakPolarHBondContact O-CB 3.27Å; G85-N89 PolarHBondContact O-N 3.2Å; G85-N89 VanDerWaalsContact O-N 3.15Å; G85-N89 PolarHBondContact O-ND2 3.46Å |
| 86 | W | 96.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -48.8 | 174.2 | -170.5 | 86.2 | 0 | 0 | 0 | 110.9 | K67 C83 Y88 N89 H90 Y99 V101 W104 C691 | K67-W86 HydrophobicContact CB-CB 4.16Å; K67-W86 HydrophobicContact CG-CB 3.96Å; K67-W86 HydrophobicContact CG-CG 4.38Å; K67-W86 PolarHBondContact O-N 3.18Å; C83-W86 PolarHBondContact O-N 3.42Å; W86-Y88 VanDerWaalsContact C-N 3.31Å; W86-Y88 PolarHBondContact O-N 3.09Å; W86-N89 PolarHBondContact O-N 2.94Å; W86-H90 AromaticContact CD1-CE1 3.69Å; W86-H90 AromaticContact CD1-ND1 3.68Å; W86-H90 HydrophobicContact CD2-CB 4.29Å; W86-H90 AromaticContact CD2-ND1 3.82Å; W86-H90 AromaticContact CE2-CG 3.72Å; W86-H90 AromaticContact CE2-ND1 3.65Å; W86-H90 HydrophobicContact CE3-CB 4.2Å; W86-H90 AromaticContact CG-ND1 3.86Å; W86-H90 HydrophobicContact CH2-CB 3.74Å; W86-H90 HydrophobicContact CZ2-CB 3.88Å; W86-H90 AromaticContact CZ2-CG 3.77Å; W86-H90 HydrophobicContact CZ3-CB 3.92Å; W86-H90 AromaticContact NE1-CE1 3.54Å; W86-H90 AromaticContact NE1-CG 3.98Å; W86-H90 AromaticContact NE1-ND1 3.56Å; W86-H90 AromaticContact NE1-NE2 3.9Å; W86-H90 WeakPolarHBondContact O-CB 3.21Å; W86-H90 PolarHBondContact O-N 2.94Å; W86-H90 PolarHBondContact O-ND1 3.23Å; W86-Y99 AromaticContact CH2-CD1 3.93Å; W86-Y99 HydrophobicContact CH2-CD1 3.93Å; W86-Y99 HydrophobicContact CH2-CE1 4.25Å; W86-V101 HydrophobicContact CD2-CG2 4.29Å; W86-V101 HydrophobicContact CZ2-CG2 4.09Å; W86-W104 HydrophobicContact CZ2-CB 4.45Å; W86-C691 HydrophobicContact CB-CB 4.34Å; W86-C691 HydrophobicContact CD2-CB 4.12Å; W86-C691 HydrophobicContact CE3-CB 3.94Å; W86-C691 HydrophobicContact CG-CB 4.3Å |
| 87 | I | 96.8 | Very high | 97 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | -178.3 | -69.4 | 164.2 | 0 | 0 | 0 | 111 | Y79 C83 D84 H90 | Y79-I87 HydrophobicContact CE1-CD1 3.94Å; C83-I87 HydrophobicContact CB-CD1 4.03Å; C83-I87 WeakPolarHBondContact O-CG1 3.35Å; C83-I87 PolarHBondContact O-N 3.33Å; D84-I87 PolarHBondContact O-N 2.99Å; I87-H90 CarbonylContact O-C 3.41Å; I87-H90 PolarHBondContact O-N 3.21Å |
| 88 | Y | 96.5 | Very high | 97 | Very high | 194 Ų | 194 | 46.7 Ų | 46.7 | 76% | 0.761 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.8 | -43.9 | 176.9 | 178.9 | -96.4 | 0 | 0 | 0 | 112 | D84 W86 H90 | D84-Y88 VanDerWaalsContact O-CB 3.25Å; D84-Y88 WeakPolarHBondContact O-CB 3.44Å; D84-Y88 PolarHBondContact O-N 3.34Å; W86-Y88 VanDerWaalsContact C-N 3.31Å; W86-Y88 PolarHBondContact O-N 3.09Å; Y88-H90 VanDerWaalsContact C-N 3.31Å; Y88-H90 PolarHBondContact O-N 3.22Å |
| 89 | N | 96.1 | Very high | 96.9 | Very high | 93 Ų | 93 | 48.1 Ų | 48.1 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -79.2 | -11 | -178.2 | -69.8 | -37.5 | 0 | 0 | 0 | 114 | S66 G85 W86 | S66-N89 PolarHBondContact O-ND2 2.76Å; G85-N89 WeakPolarHBondContact O-CB 3.27Å; G85-N89 PolarHBondContact O-N 3.2Å; G85-N89 VanDerWaalsContact O-N 3.15Å; G85-N89 PolarHBondContact O-ND2 3.46Å; W86-N89 PolarHBondContact O-N 2.94Å |
| 90 | H | 96.1 | Very high | 96.8 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -130.5 | 72.5 | -176.4 | -58.7 | 81.7 | 0 | 0 | 0 | 110.6 | W86 I87 Y88 Y99 | W86-H90 AromaticContact CD1-CE1 3.69Å; W86-H90 AromaticContact CD1-ND1 3.68Å; W86-H90 HydrophobicContact CD2-CB 4.29Å; W86-H90 AromaticContact CD2-ND1 3.82Å; W86-H90 AromaticContact CE2-CG 3.72Å; W86-H90 AromaticContact CE2-ND1 3.65Å; W86-H90 HydrophobicContact CE3-CB 4.2Å; W86-H90 AromaticContact CG-ND1 3.86Å; W86-H90 HydrophobicContact CH2-CB 3.74Å; W86-H90 HydrophobicContact CZ2-CB 3.88Å; W86-H90 AromaticContact CZ2-CG 3.77Å; W86-H90 HydrophobicContact CZ3-CB 3.92Å; W86-H90 AromaticContact NE1-CE1 3.54Å; W86-H90 AromaticContact NE1-CG 3.98Å; W86-H90 AromaticContact NE1-ND1 3.56Å; W86-H90 AromaticContact NE1-NE2 3.9Å; W86-H90 WeakPolarHBondContact O-CB 3.21Å; W86-H90 PolarHBondContact O-N 2.94Å; W86-H90 PolarHBondContact O-ND1 3.23Å; I87-H90 CarbonylContact O-C 3.41Å; I87-H90 PolarHBondContact O-N 3.21Å; Y88-H90 VanDerWaalsContact C-N 3.31Å; Y88-H90 PolarHBondContact O-N 3.22Å; H90-Y99 HydrophobicContact CB-CD1 4.07Å; H90-Y99 HydrophobicContact CB-CE1 4.05Å |
| 91 | P | 96.4 | Very high | 96.7 | Very high | 98 Ų | 98 | 42 Ų | 42 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | P | Polyproline II helix | trans | -61.3 | 151.5 | 176.6 | 27.9 | -35.2 | 0 | 0 | 0 | 110.9 | P93 | P91-P93 VanDerWaalsContact O-CD 3.23Å; P91-P93 WeakPolarHBondContact O-CD 3.15Å |
| 92 | I | 97.5 | Very high | 96.6 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 119.7 | 179.3 | -54.1 | 171.5 | 0 | 0 | 0 | 108.8 | M96 F694 R695 | I92-M96 HydrophobicContact CG2-CB 4.32Å; I92-M96 VanDerWaalsContact CG2-O 3.28Å; I92-M96 WeakPolarHBondContact CG2-O 3.42Å; I92-F694 VanDerWaalsContact CD1-C 3.47Å; I92-R695 HydrophobicContact CD1-CG 3.98Å; I92-R695 HydrophobicContact CG2-CG 4.36Å; I92-R695 PolarHBondContact O-NH2 2.84Å |
| 93 | P | 96.8 | Very high | 96.5 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 26% | 0.26 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 153.8 | 174.1 | -27 | 37.5 | 0 | 0 | 0 | 112.7 | P91 D95 M96 Y99 R695 | P91-P93 VanDerWaalsContact O-CD 3.23Å; P91-P93 WeakPolarHBondContact O-CD 3.15Å; P93-D95 WeakPolarHBondContact CB-OD1 3.27Å; P93-D95 PolarHBondContact O-N 3.44Å; P93-M96 HydrophobicContact CB-CB 4.33Å; P93-M96 HydrophobicContact CB-CG 4.18Å; P93-M96 HydrophobicContact CB-SD 4.46Å; P93-M96 HydrophobicContact CG-CG 4.42Å; P93-M96 HydrophobicContact CG-SD 4.09Å; P93-M96 PolarHBondContact O-N 3.34Å; P93-M96 VanDerWaalsContact O-N 3.14Å; P93-Y99 HydrophobicContact CG-CD2 4.09Å; P93-Y99 HydrophobicContact CG-CE2 4.18Å; P93-Y99 HydrophobicContact CG-CG 4.28Å; P93-R695 PolarHBondContact O-NH2 3.08Å |
| 94 | E | 96.4 | Very high | 96.4 | Very high | 95 Ų | 95 | 49.8 Ų | 49.8 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.6 | -176.8 | -71.9 | -50.7 | 139.2 | 0 | 0 | 113.9 | T394 T395 T396 R695 | E94-T394 CarbonylContact O-C 3.55Å; E94-T395 WeakPolarHBondContact CB-OG1 3.41Å; E94-T395 PolarHBondContact O-N 3.26Å; E94-T395 WeakPolarHBondContact OE2-CB 3.48Å; E94-T395 WeakPolarHBondContact OE2-CG2 3.45Å; E94-T395 PolarHBondContact OE2-OG1 3.06Å; E94-T396 HydrophobicContact CB-CG2 3.98Å; E94-T396 WeakPolarHBondContact CB-OG1 3.38Å; E94-T396 PolarHBondContact O-N 3.01Å; E94-T396 PolarHBondContact O-OG1 3.25Å; E94-R695 IonicContact OE1-NH2 3.32Å; E94-R695 IonicContact OE2-NH1 2.89Å; E94-R695 IonicContact OE2-NH2 3.75Å; E94-R695 PolarHBondContact OE2-NH2 3.35Å |
| 95 | D | 94.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0 | 176.1 | 59.3 | -15.8 | 0 | 0 | 0 | 113.7 | P93 T396 L398 P399 | P93-D95 WeakPolarHBondContact CB-OD1 3.27Å; P93-D95 PolarHBondContact O-N 3.44Å; D95-T396 WeakPolarHBondContact CA-O 3.48Å; D95-T396 PolarHBondContact N-OG1 2.92Å; D95-T396 VanDerWaalsContact N-OG1 3.11Å; D95-L398 HydrophobicContact CB-CD2 4.13Å; D95-P399 WeakPolarHBondContact OD2-CD 3.29Å |
| 96 | M | 95.7 | Very high | 96.3 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 16% | 0.163 | 24% | 0.242 | C | C | . | . | trans | -118.8 | 144.1 | -177.6 | -63 | -168.7 | -178.4 | 0 | 0 | 113 | I92 P93 Y99 R695 | I92-M96 HydrophobicContact CG2-CB 4.32Å; I92-M96 VanDerWaalsContact CG2-O 3.28Å; I92-M96 WeakPolarHBondContact CG2-O 3.42Å; P93-M96 HydrophobicContact CB-CB 4.33Å; P93-M96 HydrophobicContact CB-CG 4.18Å; P93-M96 HydrophobicContact CB-SD 4.46Å; P93-M96 HydrophobicContact CG-CG 4.42Å; P93-M96 HydrophobicContact CG-SD 4.09Å; P93-M96 PolarHBondContact O-N 3.34Å; P93-M96 VanDerWaalsContact O-N 3.14Å; M96-Y99 HydrophobicContact CE-CE2 4.41Å; M96-Y99 HydrophobicContact SD-CD2 3.47Å; M96-Y99 WeakPolarHBondContact SD-CD2 3.45Å; M96-Y99 HydrophobicContact SD-CE2 3.76Å; M96-R695 PolarHBondContact O-NE 2.87Å | ||
| 97 | S | 95.8 | Very high | 96.3 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -86.2 | -22 | 178.6 | 71.1 | 0 | 0 | 0 | 0 | 112.8 | H392 R695 S698 | S97-H392 WeakPolarHBondContact CB-O 3.41Å; S97-R695 WeakPolarHBondContact O-CB 3.19Å; S97-R695 WeakPolarHBondContact O-CG 3.4Å; S97-R695 PolarHBondContact O-N 3.03Å; S97-S698 PolarHBondContact O-OG 3.23Å |
| 98 | N | 96.6 | Very high | 96.3 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.214 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 156.7 | 175.4 | 71.1 | 100.3 | 0 | 0 | 0 | 109.1 | N692 S693 F694 | N98-N692 PolarHBondContact OD1-ND2 2.86Å; N98-S693 CarbonylContact C-O 3.49Å; N98-S693 WeakPolarHBondContact CA-O 3.38Å; N98-S693 VanDerWaalsContact CB-O 3.3Å; N98-S693 WeakPolarHBondContact CB-O 3.39Å; N98-F694 HydrophobicContact CB-CB 4.46Å; N98-F694 HydrophobicContact CB-CD1 3.53Å; N98-F694 HydrophobicContact CB-CD2 4.36Å; N98-F694 HydrophobicContact CB-CE1 3.72Å; N98-F694 HydrophobicContact CB-CG 3.87Å; N98-F694 HydrophobicContact CB-CZ 4.23Å |
| 99 | Y | 97.4 | Very high | 96.3 | Very high | 29 Ų | 29 | 42.5 Ų | 42.5 | 11% | 0.114 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 124.3 | 176.6 | -161.1 | -118.2 | 0 | 0 | 0 | 111 | W86 H90 P93 M96 P103 N692 S693 | W86-Y99 AromaticContact CH2-CD1 3.93Å; W86-Y99 HydrophobicContact CH2-CD1 3.93Å; W86-Y99 HydrophobicContact CH2-CE1 4.25Å; H90-Y99 HydrophobicContact CB-CD1 4.07Å; H90-Y99 HydrophobicContact CB-CE1 4.05Å; P93-Y99 HydrophobicContact CG-CD2 4.09Å; P93-Y99 HydrophobicContact CG-CE2 4.18Å; P93-Y99 HydrophobicContact CG-CG 4.28Å; M96-Y99 HydrophobicContact CE-CE2 4.41Å; M96-Y99 HydrophobicContact SD-CD2 3.47Å; M96-Y99 WeakPolarHBondContact SD-CD2 3.45Å; M96-Y99 HydrophobicContact SD-CE2 3.76Å; Y99-P103 HydrophobicContact CD2-CB 4.19Å; Y99-N692 PolarHBondContact N-OD1 2.66Å; Y99-N692 PolarHBondContact O-OD1 2.71Å; Y99-S693 PolarHBondContact N-O 2.77Å; Y99-S693 PolarHBondContact O-N 3.34Å |
| 100 | G | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | -178.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y102 P103 W104 C691 N692 | G100-Y102 VanDerWaalsContact C-N 3.32Å; G100-Y102 PolarHBondContact O-N 3.41Å; G100-P103 WeakPolarHBondContact O-CD 3.48Å; G100-W104 VanDerWaalsContact O-CB 3.23Å; G100-W104 WeakPolarHBondContact O-CB 3.48Å; G100-W104 PolarHBondContact O-N 3.48Å; G100-C691 CarbonylContact C-O 3.55Å; G100-C691 WeakPolarHBondContact CA-O 3.46Å; G100-N692 PolarHBondContact N-OD1 3.31Å |
| 101 | V | 96.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.5 | -38.6 | -179.8 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | W86 L105 P556 F557 H688 C691 | W86-V101 HydrophobicContact CD2-CG2 4.29Å; W86-V101 HydrophobicContact CZ2-CG2 4.09Å; V101-L105 PolarHBondContact O-N 3.43Å; V101-P556 HydrophobicContact CG1-CG 3.38Å; V101-F557 HydrophobicContact CG1-CE2 3.75Å; V101-F557 HydrophobicContact CG1-CZ 3.8Å; V101-H688 VanDerWaalsContact CG2-O 3.28Å; V101-H688 WeakPolarHBondContact CG2-O 3.36Å; V101-C691 HydrophobicContact CG2-CB 4.17Å; V101-C691 PolarHBondContact N-O 3.09Å |
| 102 | Y | 95.4 | Very high | 96.6 | Very high | 60 Ų | 60 | 37.1 Ų | 37.1 | 24% | 0.235 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.8 | -57.6 | 173.2 | -87 | -81 | 0 | 0 | 0 | 112.6 | G100 W104 L105 R106 V535 E552 F557 I575 V689 | G100-Y102 VanDerWaalsContact C-N 3.32Å; G100-Y102 PolarHBondContact O-N 3.41Å; Y102-W104 VanDerWaalsContact C-N 3.26Å; Y102-W104 PolarHBondContact O-N 3.03Å; Y102-L105 PolarHBondContact O-N 2.83Å; Y102-R106 PolarHBondContact O-N 3.2Å; Y102-V535 HydrophobicContact CD1-CG1 4.22Å; Y102-E552 WeakPolarHBondContact CE1-OE1 3.43Å; Y102-E552 PolarHBondContact OH-OE1 3.33Å; Y102-F557 HydrophobicContact CD1-CE1 4.24Å; Y102-F557 AromaticContact CD1-CZ 3.77Å; Y102-F557 HydrophobicContact CD1-CZ 3.77Å; Y102-F557 HydrophobicContact CD2-CE1 4.01Å; Y102-F557 AromaticContact CD2-CZ 3.72Å; Y102-F557 HydrophobicContact CD2-CZ 3.72Å; Y102-F557 AromaticContact CE1-CE1 3.69Å; Y102-F557 HydrophobicContact CE1-CE1 3.69Å; Y102-F557 AromaticContact CE1-CZ 3.69Å; Y102-F557 HydrophobicContact CE1-CZ 3.69Å; Y102-F557 AromaticContact CE2-CE1 3.45Å; Y102-F557 HydrophobicContact CE2-CE1 3.45Å; Y102-F557 VanDerWaalsContact CE2-CE1 3.45Å; Y102-F557 AromaticContact CE2-CZ 3.66Å; Y102-F557 HydrophobicContact CE2-CZ 3.66Å; Y102-F557 HydrophobicContact CG-CE1 4.37Å; Y102-F557 AromaticContact CG-CZ 3.76Å; Y102-F557 HydrophobicContact CG-CZ 3.76Å; Y102-F557 AromaticContact CZ-CE1 3.24Å; Y102-F557 AromaticContact CZ-CZ 3.63Å; Y102-F557 WeakPolarHBondContact OH-CE1 3.45Å; Y102-I575 WeakPolarHBondContact OH-CD1 3.13Å; Y102-V689 WeakPolarHBondContact CD2-O 3.32Å; Y102-V689 WeakPolarHBondContact CE2-O 3.39Å |
| 103 | P | 95.9 | Very high | 96.6 | Very high | 30 Ų | 30 | 36 Ų | 36 | 20% | 0.195 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54 | -38.8 | 173.2 | -28.9 | 33.6 | 0 | 0 | 0 | 114.2 | Y99 G100 R106 H107 | Y99-P103 HydrophobicContact CD2-CB 4.19Å; G100-P103 WeakPolarHBondContact O-CD 3.48Å; P103-R106 PolarHBondContact O-N 3.21Å; P103-H107 WeakPolarHBondContact O-CB 2.98Å; P103-H107 PolarHBondContact O-N 3.02Å |
| 104 | W | 96.6 | Very high | 96.7 | Very high | 82 Ų | 82 | 36.4 Ų | 36.4 | 31% | 0.311 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63 | -46.7 | 177 | 175.2 | 91 | 0 | 0 | 0 | 112 | W86 G100 Y102 R106 H107 N108 | W86-W104 HydrophobicContact CZ2-CB 4.45Å; G100-W104 VanDerWaalsContact O-CB 3.23Å; G100-W104 WeakPolarHBondContact O-CB 3.48Å; G100-W104 PolarHBondContact O-N 3.48Å; Y102-W104 VanDerWaalsContact C-N 3.26Å; Y102-W104 PolarHBondContact O-N 3.03Å; W104-R106 VanDerWaalsContact C-N 3.34Å; W104-H107 PolarHBondContact O-N 3.41Å; W104-N108 WeakPolarHBondContact CH2-ND2 3.37Å; W104-N108 WeakPolarHBondContact CZ2-ND2 3.45Å; W104-N108 VanDerWaalsContact CZ3-ND2 3.33Å; W104-N108 WeakPolarHBondContact CZ3-ND2 3.45Å; W104-N108 PolarHBondContact O-N 2.81Å; W104-N108 PolarHBondContact O-ND2 3.28Å |
| 105 | L | 96.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 178 | 177.6 | 58.4 | 0 | 0 | 0 | 111.2 | V101 Y102 H107 N108 V109 V535 Q554 F557 | V101-L105 PolarHBondContact O-N 3.43Å; Y102-L105 PolarHBondContact O-N 2.83Å; L105-H107 PolarHBondContact O-N 3.11Å; L105-N108 WeakPolarHBondContact O-CB 3.42Å; L105-N108 PolarHBondContact O-N 3.23Å; L105-V109 PolarHBondContact O-N 3.44Å; L105-V535 HydrophobicContact CB-CG1 4Å; L105-V535 HydrophobicContact CD2-CG1 3.65Å; L105-V535 HydrophobicContact CG-CG1 3.74Å; L105-V535 HydrophobicContact CG-CG2 4.13Å; L105-Q554 HydrophobicContact CD1-CB 3.85Å; L105-Q554 HydrophobicContact CD2-CB 4.29Å; L105-F557 HydrophobicContact CB-CE2 4.12Å; L105-F557 HydrophobicContact CD2-CD2 3.37Å; L105-F557 HydrophobicContact CD2-CE2 3.57Å; L105-F557 HydrophobicContact CD2-CG 4.5Å; L105-F557 HydrophobicContact CG-CE2 4.48Å |
| 106 | R | 96.6 | Very high | 97 | Very high | 54 Ų | 54 | 33.4 Ų | 33.4 | 20% | 0.204 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.8 | -51.6 | 173.4 | 172.5 | 55.5 | -165.9 | 176 | -6 | 111.2 | Y102 P103 W104 N108 V109 D110 D406 E409 V535 | Y102-R106 PolarHBondContact O-N 3.2Å; P103-R106 PolarHBondContact O-N 3.21Å; W104-R106 VanDerWaalsContact C-N 3.34Å; R106-N108 VanDerWaalsContact C-N 3.27Å; R106-N108 PolarHBondContact O-N 2.89Å; R106-V109 WeakPolarHBondContact O-CA 3.45Å; R106-V109 WeakPolarHBondContact O-CB 3.2Å; R106-V109 PolarHBondContact O-N 2.62Å; R106-D110 VanDerWaalsContact CZ-CG 3.45Å; R106-D110 IonicContact CZ-OD1 2.68Å; R106-D110 IonicContact CZ-OD2 2.8Å; R106-D110 IonicContact NE-OD1 3.97Å; R106-D110 PolarHBondContact NE-OD1 2.89Å; R106-D110 VanDerWaalsContact NE-OD1 3.11Å; R106-D110 IonicContact NE-OD2 2.64Å; R106-D110 PolarHBondContact NE-OD2 2.89Å; R106-D110 IonicContact NH1-OD1 3.12Å; R106-D110 PolarHBondContact NH1-OD1 3.01Å; R106-D110 VanDerWaalsContact NH1-OD1 3.12Å; R106-D110 IonicContact NH2-OD1 2.69Å; R106-D110 PolarHBondContact NH2-OD1 3.33Å; R106-D110 IonicContact NH2-OD2 2.67Å; R106-D110 PolarHBondContact O-N 3.39Å; R106-D406 IonicContact NH2-OD1 3.98Å; R106-D406 PolarHBondContact NH2-OD1 3.16Å; R106-D406 VanDerWaalsContact NH2-OD1 3.08Å; R106-E409 IonicContact CZ-OE1 3.18Å; R106-E409 IonicContact CZ-OE2 3.89Å; R106-E409 VanDerWaalsContact NH1-CD 3.34Å; R106-E409 IonicContact NH1-OE1 3.99Å; R106-E409 PolarHBondContact NH1-OE1 2.91Å; R106-E409 IonicContact NH1-OE2 2.82Å; R106-E409 PolarHBondContact NH1-OE2 3.4Å; R106-E409 IonicContact NH2-OE1 2.82Å; R106-E409 IonicContact NH2-OE2 2.86Å; R106-E409 PolarHBondContact NH2-OE2 3.17Å; R106-V535 HydrophobicContact CB-CB 4.38Å; R106-V535 HydrophobicContact CB-CG2 4.33Å |
| 107 | H | 96 | Very high | 97.1 | Very high | 46 Ų | 46 | 32.1 Ų | 32.1 | 21% | 0.213 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.8 | -38.1 | 177.2 | -173.5 | 72.8 | 0 | 0 | 0 | 112.9 | P103 W104 L105 V109 D110 L111 W401 | P103-H107 WeakPolarHBondContact O-CB 2.98Å; P103-H107 PolarHBondContact O-N 3.02Å; W104-H107 PolarHBondContact O-N 3.41Å; L105-H107 PolarHBondContact O-N 3.11Å; H107-V109 PolarHBondContact O-N 3.18Å; H107-D110 WeakPolarHBondContact O-CB 3.36Å; H107-D110 PolarHBondContact O-N 2.97Å; H107-D110 VanDerWaalsContact O-N 3.15Å; H107-L111 WeakPolarHBondContact O-CG 3.41Å; H107-L111 PolarHBondContact O-N 2.9Å; H107-W401 AromaticContact CE1-CH2 3.58Å; H107-W401 AromaticContact CE1-CZ2 3.69Å |
| 108 | N | 96.8 | Very high | 97.2 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 21% | 0.214 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.5 | -34.9 | 175 | -75.8 | -27.8 | 0 | 0 | 0 | 113.5 | W104 L105 R106 D110 K112 | W104-N108 WeakPolarHBondContact CH2-ND2 3.37Å; W104-N108 WeakPolarHBondContact CZ2-ND2 3.45Å; W104-N108 VanDerWaalsContact CZ3-ND2 3.33Å; W104-N108 WeakPolarHBondContact CZ3-ND2 3.45Å; W104-N108 PolarHBondContact O-N 2.81Å; W104-N108 PolarHBondContact O-ND2 3.28Å; L105-N108 WeakPolarHBondContact O-CB 3.42Å; L105-N108 PolarHBondContact O-N 3.23Å; R106-N108 VanDerWaalsContact C-N 3.27Å; R106-N108 PolarHBondContact O-N 2.89Å; N108-D110 VanDerWaalsContact C-N 3.31Å; N108-K112 WeakPolarHBondContact O-CG 3.23Å; N108-K112 PolarHBondContact O-N 2.9Å |
| 109 | V | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 170 | 171.8 | 0 | 0 | 0 | 0 | 109.9 | L105 R106 H107 L111 K112 L113 F420 T533 V535 | L105-V109 PolarHBondContact O-N 3.44Å; R106-V109 WeakPolarHBondContact O-CA 3.45Å; R106-V109 WeakPolarHBondContact O-CB 3.2Å; R106-V109 PolarHBondContact O-N 2.62Å; H107-V109 PolarHBondContact O-N 3.18Å; V109-L111 PolarHBondContact O-N 3.46Å; V109-K112 WeakPolarHBondContact O-CB 3.41Å; V109-K112 PolarHBondContact O-N 2.84Å; V109-K112 VanDerWaalsContact O-N 3.11Å; V109-L113 HydrophobicContact CG1-CD1 4.22Å; V109-L113 HydrophobicContact CG1-CG 4.36Å; V109-L113 WeakPolarHBondContact O-CG 3.39Å; V109-L113 PolarHBondContact O-N 3.21Å; V109-F420 HydrophobicContact CB-CE2 4.45Å; V109-F420 HydrophobicContact CG1-CD2 4.24Å; V109-F420 HydrophobicContact CG1-CE2 3.9Å; V109-F420 HydrophobicContact CG1-CZ 4.49Å; V109-F420 HydrophobicContact CG2-CE2 4.19Å; V109-F420 HydrophobicContact CG2-CZ 4.23Å; V109-T533 HydrophobicContact CG1-CG2 4.5Å; V109-V535 HydrophobicContact CB-CG2 4.38Å; V109-V535 HydrophobicContact CG2-CG2 3.76Å |
| 110 | D | 97.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | -179.7 | -61.9 | -29.7 | 0 | 0 | 0 | 112.4 | R106 H107 N108 K112 L113 K114 W401 V405 | R106-D110 VanDerWaalsContact CZ-CG 3.45Å; R106-D110 IonicContact CZ-OD1 2.68Å; R106-D110 IonicContact CZ-OD2 2.8Å; R106-D110 IonicContact NE-OD1 3.97Å; R106-D110 PolarHBondContact NE-OD1 2.89Å; R106-D110 VanDerWaalsContact NE-OD1 3.11Å; R106-D110 IonicContact NE-OD2 2.64Å; R106-D110 PolarHBondContact NE-OD2 2.89Å; R106-D110 IonicContact NH1-OD1 3.12Å; R106-D110 PolarHBondContact NH1-OD1 3.01Å; R106-D110 VanDerWaalsContact NH1-OD1 3.12Å; R106-D110 IonicContact NH2-OD1 2.69Å; R106-D110 PolarHBondContact NH2-OD1 3.33Å; R106-D110 IonicContact NH2-OD2 2.67Å; R106-D110 PolarHBondContact O-N 3.39Å; H107-D110 WeakPolarHBondContact O-CB 3.36Å; H107-D110 PolarHBondContact O-N 2.97Å; H107-D110 VanDerWaalsContact O-N 3.15Å; N108-D110 VanDerWaalsContact C-N 3.31Å; D110-K112 VanDerWaalsContact C-N 3.32Å; D110-K112 PolarHBondContact O-N 2.89Å; D110-L113 PolarHBondContact O-N 2.92Å; D110-K114 VanDerWaalsContact O-CB 3.3Å; D110-K114 WeakPolarHBondContact O-CB 3.3Å; D110-K114 PolarHBondContact O-N 3.03Å; D110-W401 HydrophobicContact CB-CH2 4.49Å; D110-W401 HydrophobicContact CB-CZ3 4.1Å; D110-V405 HydrophobicContact CB-CG1 4.14Å |
| 111 | L | 98.1 | Very high | 97.2 | Very high | 71 Ų | 71 | 46 Ų | 46 | 37% | 0.372 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.6 | -37.9 | 172.5 | -71.7 | 172.7 | 0 | 0 | 0 | 112.6 | H107 V109 K114 A115 W401 | H107-L111 WeakPolarHBondContact O-CG 3.41Å; H107-L111 PolarHBondContact O-N 2.9Å; V109-L111 PolarHBondContact O-N 3.46Å; L111-K114 HydrophobicContact CD2-CD 4.5Å; L111-A115 PolarHBondContact O-N 3.05Å; L111-W401 HydrophobicContact CD2-CH2 3.61Å; L111-W401 HydrophobicContact CD2-CZ2 3.83Å; L111-W401 HydrophobicContact CD2-CZ3 4.31Å; L111-W401 HydrophobicContact CG-CH2 4.13Å |
| 112 | K | 98.2 | Very high | 97.2 | Very high | 61 Ų | 61 | 47.2 Ų | 47.2 | 27% | 0.265 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.5 | -44.4 | 174.9 | -71.8 | 171.4 | -177.7 | -174.7 | 0 | 111.1 | N108 V109 D110 A115 L116 F420 | N108-K112 WeakPolarHBondContact O-CG 3.23Å; N108-K112 PolarHBondContact O-N 2.9Å; V109-K112 WeakPolarHBondContact O-CB 3.41Å; V109-K112 PolarHBondContact O-N 2.84Å; V109-K112 VanDerWaalsContact O-N 3.11Å; D110-K112 VanDerWaalsContact C-N 3.32Å; D110-K112 PolarHBondContact O-N 2.89Å; K112-A115 PolarHBondContact O-N 3.2Å; K112-L116 WeakPolarHBondContact O-CG 3.35Å; K112-L116 PolarHBondContact O-N 2.93Å; K112-L116 VanDerWaalsContact O-N 3.08Å; K112-F420 HydrophobicContact CB-CE2 4.34Å; K112-F420 HydrophobicContact CD-CE2 3.95Å |
| 113 | L | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176 | -69.8 | -178.9 | 0 | 0 | 0 | 111.8 | V109 D110 A115 L116 L117 V405 V416 F420 T533 | V109-L113 HydrophobicContact CG1-CD1 4.22Å; V109-L113 HydrophobicContact CG1-CG 4.36Å; V109-L113 WeakPolarHBondContact O-CG 3.39Å; V109-L113 PolarHBondContact O-N 3.21Å; D110-L113 PolarHBondContact O-N 2.92Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 3.14Å; L113-L116 PolarHBondContact O-N 2.88Å; L113-L117 WeakPolarHBondContact O-CB 3.31Å; L113-L117 VanDerWaalsContact O-CG 3.31Å; L113-L117 WeakPolarHBondContact O-CG 3.14Å; L113-L117 PolarHBondContact O-N 3.2Å; L113-V405 HydrophobicContact CB-CG1 3.86Å; L113-V405 HydrophobicContact CD1-CG1 3.92Å; L113-V416 HydrophobicContact CD2-CB 4.19Å; L113-F420 HydrophobicContact CD2-CB 3.98Å; L113-F420 HydrophobicContact CD2-CD2 4.24Å; L113-T533 HydrophobicContact CD1-CG2 3.89Å; L113-T533 HydrophobicContact CD2-CG2 3.87Å; L113-T533 HydrophobicContact CG-CG2 4.32Å |
| 114 | K | 98.6 | Very high | 96.8 | Very high | 48 Ų | 48 | 62.1 Ų | 62.1 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -50.3 | -52.4 | 171.9 | -180 | -167.7 | -171.7 | -75 | 0 | 110.8 | D110 L111 L116 L117 E118 W401 V405 | D110-K114 VanDerWaalsContact O-CB 3.3Å; D110-K114 WeakPolarHBondContact O-CB 3.3Å; D110-K114 PolarHBondContact O-N 3.03Å; L111-K114 HydrophobicContact CD2-CD 4.5Å; K114-L116 PolarHBondContact O-N 2.77Å; K114-L117 PolarHBondContact O-N 3.41Å; K114-E118 VanDerWaalsContact CE-OE1 3.28Å; K114-E118 WeakPolarHBondContact CE-OE1 3.47Å; K114-E118 HydrophobicContact CG-CG 4.39Å; K114-E118 IonicContact NZ-OE1 2.76Å; K114-E118 PolarHBondContact NZ-OE1 3.34Å; K114-E118 IonicContact NZ-OE2 2.76Å; K114-E118 PolarHBondContact NZ-OE2 3.2Å; K114-E118 WeakPolarHBondContact O-CB 3.47Å; K114-E118 WeakPolarHBondContact O-CG 3.41Å; K114-E118 PolarHBondContact O-N 2.83Å; K114-W401 HydrophobicContact CB-CE3 3.97Å; K114-W401 HydrophobicContact CB-CZ3 4.24Å; K114-W401 HydrophobicContact CD-CB 4.32Å; K114-W401 HydrophobicContact CD-CD2 3.59Å; K114-W401 HydrophobicContact CD-CE3 3.53Å; K114-W401 HydrophobicContact CD-CG 3.96Å; K114-W401 HydrophobicContact CD-CZ3 4.09Å; K114-W401 VanDerWaalsContact CE-CG 3.5Å; K114-W401 HydrophobicContact CG-CD2 4.34Å; K114-W401 HydrophobicContact CG-CE3 3.94Å; K114-V405 HydrophobicContact CB-CG2 4.02Å |
| 115 | A | 98.5 | Very high | 96.5 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.9 | -30.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L111 K112 L113 K119 | L111-A115 PolarHBondContact O-N 3.05Å; K112-A115 PolarHBondContact O-N 3.2Å; L113-A115 VanDerWaalsContact C-N 3.32Å; L113-A115 PolarHBondContact O-N 3.14Å; A115-K119 WeakPolarHBondContact O-CG 3.3Å |
| 116 | L | 98.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 68.6 Ų | 68.6 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -78.5 | -38 | 175.5 | -65.3 | 172 | 0 | 0 | 0 | 112.7 | K112 L113 K114 M419 A423 | K112-L116 WeakPolarHBondContact O-CG 3.35Å; K112-L116 PolarHBondContact O-N 2.93Å; K112-L116 VanDerWaalsContact O-N 3.08Å; L113-L116 PolarHBondContact O-N 2.88Å; K114-L116 PolarHBondContact O-N 2.77Å; L116-M419 HydrophobicContact CB-CE 3.81Å; L116-M419 HydrophobicContact CD1-CB 4.22Å; L116-A423 HydrophobicContact CD1-CB 4.05Å; L116-A423 HydrophobicContact CD2-CB 3.87Å |
| 117 | L | 98.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.8 | -31.1 | -179.3 | -70 | 167.7 | 0 | 0 | 0 | 112.6 | L113 K114 K119 A133 Y137 V405 V408 M419 | L113-L117 WeakPolarHBondContact O-CB 3.31Å; L113-L117 VanDerWaalsContact O-CG 3.31Å; L113-L117 WeakPolarHBondContact O-CG 3.14Å; L113-L117 PolarHBondContact O-N 3.2Å; K114-L117 PolarHBondContact O-N 3.41Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 2.73Å; L117-A133 HydrophobicContact CD2-CB 4.14Å; L117-Y137 HydrophobicContact CB-CD1 3.99Å; L117-Y137 HydrophobicContact CB-CD2 4.06Å; L117-Y137 HydrophobicContact CB-CE1 4.39Å; L117-Y137 HydrophobicContact CB-CE2 4.45Å; L117-Y137 HydrophobicContact CB-CG 3.82Å; L117-Y137 HydrophobicContact CD1-CD2 3.8Å; L117-Y137 HydrophobicContact CD1-CE2 4.34Å; L117-Y137 HydrophobicContact CD1-CG 4.24Å; L117-V405 HydrophobicContact CD1-CG2 4.27Å; L117-V408 HydrophobicContact CD1-CB 4.36Å; L117-V408 HydrophobicContact CD1-CG1 4.4Å; L117-V408 HydrophobicContact CD2-CG1 4.07Å; L117-M419 HydrophobicContact CD2-CE 4.1Å |
| 118 | E | 97.8 | Very high | 96.4 | Very high | 91 Ų | 91 | 69.6 Ų | 69.6 | 43% | 0.425 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -76.5 | -11.6 | 177.6 | -75.3 | 177.6 | 172.4 | 0 | 0 | 113.7 | K114 Y137 | K114-E118 VanDerWaalsContact CE-OE1 3.28Å; K114-E118 WeakPolarHBondContact CE-OE1 3.47Å; K114-E118 HydrophobicContact CG-CG 4.39Å; K114-E118 IonicContact NZ-OE1 2.76Å; K114-E118 PolarHBondContact NZ-OE1 3.34Å; K114-E118 IonicContact NZ-OE2 2.76Å; K114-E118 PolarHBondContact NZ-OE2 3.2Å; K114-E118 WeakPolarHBondContact O-CB 3.47Å; K114-E118 WeakPolarHBondContact O-CG 3.41Å; K114-E118 PolarHBondContact O-N 2.83Å; E118-Y137 HydrophobicContact CG-CE1 3.52Å; E118-Y137 PolarHBondContact OE1-OH 2.69Å |
| 119 | K | 97 | Very high | 96.4 | Very high | 117 Ų | 117 | 67.7 Ų | 67.7 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -64.9 | 135.5 | 175.2 | -74.9 | 173 | -175.3 | 178.8 | 0 | 110.4 | A115 L117 K134 | A115-K119 WeakPolarHBondContact O-CG 3.3Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 2.73Å; K119-K134 WeakPolarHBondContact O-CD 3.42Å; K119-K134 WeakPolarHBondContact O-CE 3.5Å; K119-K134 PolarHBondContact O-NZ 3.41Å |
| 120 | P | 96.4 | Very high | 96.4 | Very high | 115 Ų | 115 | 68.5 Ų | 68.5 | 75% | 0.747 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 143.6 | 177.4 | -27.1 | 33.6 | 0 | 0 | 0 | 112.6 | S122 K134 | P120-S122 PolarHBondContact O-N 3.23Å; P120-K134 PolarHBondContact O-NZ 3.28Å; P120-K134 VanDerWaalsContact O-NZ 3.16Å |
| 121 | I | 96.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 70.2 Ų | 70.2 | 32% | 0.323 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 126 | 176.3 | -65.7 | 169.4 | 0 | 0 | 0 | 109.1 | D126 Q131 K134 I135 | I121-D126 WeakPolarHBondContact CA-OD2 3.41Å; I121-Q131 HydrophobicContact CG2-CB 4.23Å; I121-Q131 HydrophobicContact CG2-CG 3.81Å; I121-K134 HydrophobicContact CD1-CB 3.98Å; I121-K134 HydrophobicContact CG1-CB 3.69Å; I121-K134 HydrophobicContact CG1-CD 3.73Å; I121-K134 HydrophobicContact CG1-CG 4.38Å; I121-I135 HydrophobicContact CD1-CD1 4.46Å; I121-I135 HydrophobicContact CD1-CG1 3.68Å |
| 122 | S | 95.4 | Very high | 96.4 | Very high | 28 Ų | 28 | 67.6 Ų | 67.6 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | trans | -116.9 | 102.3 | 178.7 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | P120 R124 R125 D126 | P120-S122 PolarHBondContact O-N 3.23Å; S122-R124 PolarHBondContact O-N 3.38Å; S122-R125 PolarHBondContact O-N 3.05Å; S122-R125 PolarHBondContact OG-NE 3.02Å; S122-D126 PolarHBondContact N-OD2 3.06Å; S122-D126 WeakPolarHBondContact O-CB 3.37Å; S122-D126 PolarHBondContact O-N 3.12Å | ||
| 123 | K | 91.2 | Very high | 96.4 | Very high | 186 Ų | 186 | 64.7 Ų | 64.7 | 81% | 0.809 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.3 | 179.4 | -67.1 | -173.8 | 177.9 | -178.2 | 0 | 114.6 | ||
| 124 | R | 91.6 | Very high | 96.4 | Very high | 217 Ų | 217 | 65.1 Ų | 65.1 | 82% | 0.819 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -31.6 | 178 | -171.1 | 179.3 | 71.6 | 94.4 | -4.2 | 113.2 | S122 | S122-R124 PolarHBondContact O-N 3.38Š|
| 125 | R | 91.3 | Very high | 96.4 | Very high | 189 Ų | 189 | 64.5 Ų | 64.5 | 71% | 0.713 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -34.3 | -170.7 | -66.5 | -172.5 | -69.2 | -173.9 | -0.5 | 113.5 | S122 | S122-R125 PolarHBondContact O-N 3.05Å; S122-R125 PolarHBondContact OG-NE 3.02Å |
| 126 | D | 95.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 62 Ų | 62 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -84.7 | 126.3 | -179.3 | -64.3 | -24.9 | 0 | 0 | 0 | 109.4 | I121 S122 V130 Q131 K134 | I121-D126 WeakPolarHBondContact CA-OD2 3.41Å; S122-D126 PolarHBondContact N-OD2 3.06Å; S122-D126 WeakPolarHBondContact O-CB 3.37Å; S122-D126 PolarHBondContact O-N 3.12Å; D126-V130 HydrophobicContact CB-CB 4.09Å; D126-V130 HydrophobicContact CB-CG1 3.83Å; D126-Q131 HydrophobicContact CB-CG 3.72Å; D126-Q131 PolarHBondContact O-NE2 3.23Å; D126-K134 IonicContact OD1-NZ 3.38Å; D126-K134 PolarHBondContact OD1-NZ 3.28Å; D126-K134 IonicContact OD2-NZ 3.43Å; D126-K134 PolarHBondContact OD2-NZ 2.86Å |
| 127 | S | 95.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | trans | -63.3 | 158.9 | 167.9 | 66.3 | 0 | 0 | 0 | 0 | 110.7 | A129 V130 Q131 D483 | S127-A129 PolarHBondContact O-N 3.35Å; S127-V130 PolarHBondContact O-N 3.08Å; S127-Q131 WeakPolarHBondContact O-CG 3.21Å; S127-Q131 PolarHBondContact O-N 3.36Å; S127-D483 WeakPolarHBondContact CB-OD1 3.46Å; S127-D483 PolarHBondContact OG-OD1 2.69Å | ||
| 128 | E | 95.8 | Very high | 96.4 | Very high | 100 Ų | 100 | 63.1 Ų | 63.1 | 47% | 0.467 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52.3 | -42.2 | -179.6 | -173.1 | -169.5 | 148.7 | 0 | 0 | 111.8 | V130 Q131 K132 | E128-V130 PolarHBondContact O-N 3.49Å; E128-Q131 WeakPolarHBondContact O-CB 3.47Å; E128-Q131 PolarHBondContact O-N 2.87Å; E128-K132 PolarHBondContact O-N 3.17Å; E128-K132 WeakPolarHBondContact OE1-CE 3.37Å; E128-K132 IonicContact OE1-NZ 2.94Å; E128-K132 PolarHBondContact OE1-NZ 3.08Å |
| 129 | A | 96.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.5 | -48.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S127 Q131 K132 A133 V415 I486 N487 I490 | S127-A129 PolarHBondContact O-N 3.35Å; A129-Q131 VanDerWaalsContact C-N 3.31Å; A129-Q131 PolarHBondContact O-N 2.89Å; A129-K132 WeakPolarHBondContact O-CB 3.27Å; A129-K132 PolarHBondContact O-N 3.35Å; A129-A133 PolarHBondContact O-N 3.01Å; A129-V415 HydrophobicContact CB-CG1 3.97Å; A129-V415 HydrophobicContact CB-CG2 3.98Å; A129-V415 WeakPolarHBondContact O-CG1 3.34Å; A129-I486 HydrophobicContact CB-CG2 3.45Å; A129-I486 VanDerWaalsContact CB-CG2 3.45Å; A129-N487 VanDerWaalsContact CB-OD1 3.31Å; A129-N487 WeakPolarHBondContact CB-OD1 3.18Å; A129-N487 PolarHBondContact N-OD1 2.76Å; A129-I490 HydrophobicContact CB-CD1 3.66Å |
| 130 | V | 97.6 | Very high | 96.5 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 178 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | D126 S127 E128 K132 A133 K134 V415 M419 | D126-V130 HydrophobicContact CB-CB 4.09Å; D126-V130 HydrophobicContact CB-CG1 3.83Å; S127-V130 PolarHBondContact O-N 3.08Å; E128-V130 PolarHBondContact O-N 3.49Å; V130-K132 PolarHBondContact O-N 2.97Å; V130-A133 PolarHBondContact O-N 2.98Å; V130-K134 HydrophobicContact CG1-CD 4.36Å; V130-K134 WeakPolarHBondContact O-CG 3.24Å; V130-K134 PolarHBondContact O-N 3.29Å; V130-V415 HydrophobicContact CG2-CG1 4.33Å; V130-M419 HydrophobicContact CB-SD 4.47Å; V130-M419 HydrophobicContact CG1-CE 4.25Å; V130-M419 HydrophobicContact CG1-CG 4.48Å; V130-M419 HydrophobicContact CG1-SD 3.98Å; V130-M419 HydrophobicContact CG2-CG 3.95Å; V130-M419 HydrophobicContact CG2-SD 4.15Å |
| 131 | Q | 97.6 | Very high | 96.6 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 174.8 | -58.8 | -179.7 | 43 | 0 | 0 | 111 | I121 D126 S127 E128 A129 A133 K134 I135 | I121-Q131 HydrophobicContact CG2-CB 4.23Å; I121-Q131 HydrophobicContact CG2-CG 3.81Å; D126-Q131 HydrophobicContact CB-CG 3.72Å; D126-Q131 PolarHBondContact O-NE2 3.23Å; S127-Q131 WeakPolarHBondContact O-CG 3.21Å; S127-Q131 PolarHBondContact O-N 3.36Å; E128-Q131 WeakPolarHBondContact O-CB 3.47Å; E128-Q131 PolarHBondContact O-N 2.87Å; A129-Q131 VanDerWaalsContact C-N 3.31Å; A129-Q131 PolarHBondContact O-N 2.89Å; Q131-A133 PolarHBondContact O-N 3.18Å; Q131-K134 PolarHBondContact O-N 3.36Å; Q131-I135 WeakPolarHBondContact O-CB 3.36Å; Q131-I135 VanDerWaalsContact O-CG1 3.24Å; Q131-I135 WeakPolarHBondContact O-CG1 3.24Å; Q131-I135 PolarHBondContact O-N 3.13Å |
| 132 | K | 97.9 | Very high | 96.6 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 175.6 | -75.4 | 173.4 | 179.9 | 173.4 | 0 | 112.4 | E128 A129 V130 I135 L136 I490 M493 F495 | E128-K132 PolarHBondContact O-N 3.17Å; E128-K132 WeakPolarHBondContact OE1-CE 3.37Å; E128-K132 IonicContact OE1-NZ 2.94Å; E128-K132 PolarHBondContact OE1-NZ 3.08Å; A129-K132 WeakPolarHBondContact O-CB 3.27Å; A129-K132 PolarHBondContact O-N 3.35Å; V130-K132 PolarHBondContact O-N 2.97Å; K132-I135 PolarHBondContact O-N 2.87Å; K132-L136 WeakPolarHBondContact O-CB 3.45Å; K132-L136 PolarHBondContact O-N 3.24Å; K132-I490 HydrophobicContact CD-CD1 3.92Å; K132-I490 HydrophobicContact CD-CG1 4.26Å; K132-I490 PolarHBondContact NZ-O 2.77Å; K132-I490 VanDerWaalsContact NZ-O 3.12Å; K132-M493 WeakPolarHBondContact CE-O 3.36Å; K132-M493 PolarHBondContact NZ-O 3.11Å; K132-F495 HydrophobicContact CB-CD2 4.04Å; K132-F495 HydrophobicContact CB-CE2 4.48Å |
| 133 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L117 A129 V130 Q131 L136 Y137 V408 L412 V415 M419 | L117-A133 HydrophobicContact CD2-CB 4.14Å; A129-A133 PolarHBondContact O-N 3.01Å; V130-A133 PolarHBondContact O-N 2.98Å; Q131-A133 PolarHBondContact O-N 3.18Å; A133-L136 PolarHBondContact O-N 3.04Å; A133-Y137 PolarHBondContact O-N 3.22Å; A133-V408 HydrophobicContact CB-CG1 3.85Å; A133-L412 HydrophobicContact CB-CD1 3.79Å; A133-V415 HydrophobicContact CB-CG1 3.94Å; A133-M419 HydrophobicContact CB-SD 4.45Å |
| 134 | K | 98.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 176.7 | -69 | 178.9 | 175.3 | -179 | 0 | 112.8 | K119 P120 I121 D126 V130 Q131 Y137 A138 | K119-K134 WeakPolarHBondContact O-CD 3.42Å; K119-K134 WeakPolarHBondContact O-CE 3.5Å; K119-K134 PolarHBondContact O-NZ 3.41Å; P120-K134 PolarHBondContact O-NZ 3.28Å; P120-K134 VanDerWaalsContact O-NZ 3.16Å; I121-K134 HydrophobicContact CD1-CB 3.98Å; I121-K134 HydrophobicContact CG1-CB 3.69Å; I121-K134 HydrophobicContact CG1-CD 3.73Å; I121-K134 HydrophobicContact CG1-CG 4.38Å; D126-K134 IonicContact OD1-NZ 3.38Å; D126-K134 PolarHBondContact OD1-NZ 3.28Å; D126-K134 IonicContact OD2-NZ 3.43Å; D126-K134 PolarHBondContact OD2-NZ 2.86Å; V130-K134 HydrophobicContact CG1-CD 4.36Å; V130-K134 WeakPolarHBondContact O-CG 3.24Å; V130-K134 PolarHBondContact O-N 3.29Å; Q131-K134 PolarHBondContact O-N 3.36Å; K134-Y137 PolarHBondContact O-N 2.73Å; K134-A138 WeakPolarHBondContact O-CB 3.25Å; K134-A138 PolarHBondContact O-N 3.24Å |
| 135 | I | 98.4 | Very high | 97.1 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 18% | 0.179 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.5 | -70.7 | 164.7 | 0 | 0 | 0 | 110.9 | I121 Q131 K132 A138 S139 F495 E497 | I121-I135 HydrophobicContact CD1-CD1 4.46Å; I121-I135 HydrophobicContact CD1-CG1 3.68Å; Q131-I135 WeakPolarHBondContact O-CB 3.36Å; Q131-I135 VanDerWaalsContact O-CG1 3.24Å; Q131-I135 WeakPolarHBondContact O-CG1 3.24Å; Q131-I135 PolarHBondContact O-N 3.13Å; K132-I135 PolarHBondContact O-N 2.87Å; I135-A138 PolarHBondContact O-N 2.67Å; I135-S139 WeakPolarHBondContact O-CB 3.42Å; I135-S139 PolarHBondContact O-N 3.31Å; I135-F495 HydrophobicContact CG2-CB 3.85Å; I135-E497 HydrophobicContact CB-CG 4.48Å; I135-E497 HydrophobicContact CG1-CG 4.4Å; I135-E497 HydrophobicContact CG2-CG 3.94Å |
| 136 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 177.3 | -179 | 60.3 | 0 | 0 | 0 | 110.8 | K132 A133 S139 C140 L407 V408 A411 F495 N503 | K132-L136 WeakPolarHBondContact O-CB 3.45Å; K132-L136 PolarHBondContact O-N 3.24Å; A133-L136 PolarHBondContact O-N 3.04Å; L136-S139 PolarHBondContact O-N 3.17Å; L136-S139 PolarHBondContact O-OG 2.84Å; L136-C140 PolarHBondContact O-N 3.21Å; L136-C140 VanDerWaalsContact O-N 3.16Å; L136-L407 HydrophobicContact CD1-CD2 4.06Å; L136-L407 HydrophobicContact CD1-CG 4.49Å; L136-L407 HydrophobicContact CD2-CG 4.41Å; L136-L407 HydrophobicContact CG-CD2 4.26Å; L136-L407 HydrophobicContact CG-CG 4.4Å; L136-V408 HydrophobicContact CB-CG2 4.15Å; L136-V408 HydrophobicContact CD2-CG2 4.06Å; L136-V408 HydrophobicContact CG-CG2 3.91Å; L136-A411 HydrophobicContact CD2-CB 3.58Å; L136-F495 HydrophobicContact CB-CD2 3.99Å; L136-F495 HydrophobicContact CB-CE2 4.35Å; L136-F495 HydrophobicContact CB-CG 4.35Å; L136-F495 HydrophobicContact CD1-CD1 4.32Å; L136-F495 HydrophobicContact CD1-CE1 4.39Å; L136-F495 HydrophobicContact CD1-CG 4.43Å; L136-F495 HydrophobicContact CD2-CD2 4.49Å; L136-F495 HydrophobicContact CD2-CE2 4.04Å; L136-F495 HydrophobicContact CD2-CZ 4.14Å; L136-N503 HydrophobicContact CD1-CB 3.64Å |
| 137 | Y | 98.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.2 | -51.5 | 174 | -176 | -101.5 | 0 | 0 | 0 | 111.8 | L117 E118 A133 K134 S139 C140 M141 W401 C404 V405 V408 | L117-Y137 HydrophobicContact CB-CD1 3.99Å; L117-Y137 HydrophobicContact CB-CD2 4.06Å; L117-Y137 HydrophobicContact CB-CE1 4.39Å; L117-Y137 HydrophobicContact CB-CE2 4.45Å; L117-Y137 HydrophobicContact CB-CG 3.82Å; L117-Y137 HydrophobicContact CD1-CD2 3.8Å; L117-Y137 HydrophobicContact CD1-CE2 4.34Å; L117-Y137 HydrophobicContact CD1-CG 4.24Å; E118-Y137 HydrophobicContact CG-CE1 3.52Å; E118-Y137 PolarHBondContact OE1-OH 2.69Å; A133-Y137 PolarHBondContact O-N 3.22Å; K134-Y137 PolarHBondContact O-N 2.73Å; Y137-S139 VanDerWaalsContact C-N 3.32Å; Y137-S139 PolarHBondContact O-N 2.91Å; Y137-C140 WeakPolarHBondContact O-CB 3.49Å; Y137-C140 PolarHBondContact O-N 3.03Å; Y137-C140 VanDerWaalsContact O-N 3.07Å; Y137-M141 HydrophobicContact CD1-CG 3.95Å; Y137-M141 HydrophobicContact CE1-CG 3.53Å; Y137-M141 HydrophobicContact CE1-SD 4.31Å; Y137-M141 HydrophobicContact CE2-CG 4.22Å; Y137-M141 HydrophobicContact CE2-SD 4.32Å; Y137-M141 HydrophobicContact CG-CG 4.45Å; Y137-M141 WeakPolarHBondContact O-CG 3.47Å; Y137-M141 PolarHBondContact O-N 2.91Å; Y137-W401 WeakPolarHBondContact OH-CB 3.33Å; Y137-C404 HydrophobicContact CD2-CB 3.68Å; Y137-C404 HydrophobicContact CE2-CB 3.66Å; Y137-V405 HydrophobicContact CE2-CG2 4.01Å; Y137-V408 HydrophobicContact CD2-CG2 4.47Å |
| 138 | A | 98.5 | Very high | 97.6 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 31% | 0.306 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.2 | -38.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K134 I135 C140 M141 N142 E497 | K134-A138 WeakPolarHBondContact O-CB 3.25Å; K134-A138 PolarHBondContact O-N 3.24Å; I135-A138 PolarHBondContact O-N 2.67Å; A138-C140 VanDerWaalsContact C-N 3.29Å; A138-C140 PolarHBondContact O-N 3.23Å; A138-M141 PolarHBondContact O-N 3.23Å; A138-N142 PolarHBondContact O-N 2.89Å; A138-E497 HydrophobicContact CB-CG 4.38Å |
| 139 | S | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 175.1 | 78.2 | 0 | 0 | 0 | 0 | 111.9 | I135 L136 Y137 T496 N503 | I135-S139 WeakPolarHBondContact O-CB 3.42Å; I135-S139 PolarHBondContact O-N 3.31Å; L136-S139 PolarHBondContact O-N 3.17Å; L136-S139 PolarHBondContact O-OG 2.84Å; Y137-S139 VanDerWaalsContact C-N 3.32Å; Y137-S139 PolarHBondContact O-N 2.91Å; S139-T496 WeakPolarHBondContact CB-O 3.09Å; S139-N503 WeakPolarHBondContact CB-ND2 3.27Å; S139-N503 PolarHBondContact OG-ND2 3.45Å |
| 140 | C | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.7 | -37.6 | 178.2 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | L136 Y137 A138 N142 I146 Q400 C404 L407 Y500 | L136-C140 PolarHBondContact O-N 3.21Å; L136-C140 VanDerWaalsContact O-N 3.16Å; Y137-C140 WeakPolarHBondContact O-CB 3.49Å; Y137-C140 PolarHBondContact O-N 3.03Å; Y137-C140 VanDerWaalsContact O-N 3.07Å; A138-C140 VanDerWaalsContact C-N 3.29Å; A138-C140 PolarHBondContact O-N 3.23Å; C140-N142 PolarHBondContact O-N 3.46Å; C140-I146 WeakPolarHBondContact O-CD1 3.39Å; C140-Q400 PolarHBondContact O-NE2 3.37Å; C140-C404 HydrophobicContact CB-CB 3.67Å; C140-C404 WeakPolarHBondContact CB-SG 3.26Å; C140-C404 PolarHBondContact O-SG 3.5Å; C140-C404 WeakPolarHBondContact SG-CA 3.25Å; C140-C404 WeakPolarHBondContact SG-CB 3.41Å; C140-C404 CovalentContact SG-SG 2.03Å; C140-C404 PolarHBondContact SG-SG 3.32Å; C140-L407 HydrophobicContact CB-CD2 4Å; C140-Y500 VanDerWaalsContact CA-CD2 3.4Å; C140-Y500 HydrophobicContact CB-CD2 3.7Å; C140-Y500 HydrophobicContact CB-CE2 3.45Å; C140-Y500 VanDerWaalsContact CB-CE2 3.45Å |
| 141 | M | 98 | Very high | 97.5 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 32% | 0.315 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.4 | -16.6 | 178.8 | -72.4 | -58.7 | -67.9 | 0 | 0 | 113.8 | Y137 A138 E143 Q400 W401 C404 | Y137-M141 HydrophobicContact CD1-CG 3.95Å; Y137-M141 HydrophobicContact CE1-CG 3.53Å; Y137-M141 HydrophobicContact CE1-SD 4.31Å; Y137-M141 HydrophobicContact CE2-CG 4.22Å; Y137-M141 HydrophobicContact CE2-SD 4.32Å; Y137-M141 HydrophobicContact CG-CG 4.45Å; Y137-M141 WeakPolarHBondContact O-CG 3.47Å; Y137-M141 PolarHBondContact O-N 2.91Å; A138-M141 PolarHBondContact O-N 3.23Å; M141-E143 VanDerWaalsContact C-N 3.31Å; M141-E143 PolarHBondContact O-N 3.4Å; M141-Q400 HydrophobicContact SD-CG 4.12Å; M141-W401 HydrophobicContact CE-CB 4.02Å; M141-W401 WeakPolarHBondContact SD-CA 3.41Å; M141-W401 HydrophobicContact SD-CB 3.92Å; M141-C404 HydrophobicContact CG-CB 4.39Å; M141-C404 HydrophobicContact SD-CB 4.08Å |
| 142 | N | 97.4 | Very high | 97.4 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | trans | -81.6 | 72.5 | -177.2 | -162 | -33.3 | 0 | 0 | 0 | 112.5 | A138 C140 N144 K145 I146 | A138-N142 PolarHBondContact O-N 2.89Å; C140-N142 PolarHBondContact O-N 3.46Å; N142-N144 PolarHBondContact O-N 3.46Å; N142-K145 HydrophobicContact CB-CB 4.43Å; N142-K145 PolarHBondContact O-N 3.48Å; N142-K145 VanDerWaalsContact O-N 3.08Å; N142-K145 PolarHBondContact OD1-N 2.84Å; N142-K145 VanDerWaalsContact OD1-N 3.15Å; N142-I146 PolarHBondContact O-N 3.03Å | ||
| 143 | E | 95.8 | Very high | 97.3 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55 | -38.8 | 179.6 | -64.2 | -169.3 | -112.2 | 0 | 0 | 112.2 | M141 K145 I146 E147 R378 Q400 | M141-E143 VanDerWaalsContact C-N 3.31Å; M141-E143 PolarHBondContact O-N 3.4Å; E143-K145 VanDerWaalsContact C-N 3.29Å; E143-K145 PolarHBondContact O-N 2.73Å; E143-I146 PolarHBondContact O-N 3.28Å; E143-E147 WeakPolarHBondContact O-CB 3.31Å; E143-E147 WeakPolarHBondContact O-CG 3.38Å; E143-E147 PolarHBondContact O-N 2.89Å; E143-R378 IonicContact OE1-NH2 3.6Å; E143-R378 IonicContact OE2-CZ 2.81Å; E143-R378 IonicContact OE2-NE 2.65Å; E143-R378 IonicContact OE2-NH2 2.71Å; E143-R378 PolarHBondContact OE2-NH2 2.77Å; E143-Q400 HydrophobicContact CG-CB 4.42Å; E143-Q400 HydrophobicContact CG-CG 3.79Å |
| 144 | N | 96.9 | Very high | 97.3 | Very high | 122 Ų | 122 | 47.4 Ų | 47.4 | 65% | 0.652 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -57.3 | -38.4 | 178.4 | -74.8 | -26.5 | 0 | 0 | 0 | 113.3 | N142 K148 | N142-N144 PolarHBondContact O-N 3.46Å; N144-K148 WeakPolarHBondContact O-CB 3.41Å; N144-K148 VanDerWaalsContact O-CG 3.22Å; N144-K148 WeakPolarHBondContact O-CG 3.24Å; N144-K148 PolarHBondContact O-N 2.84Å |
| 145 | K | 96.4 | Very high | 97.1 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -73.6 | -39.4 | 175.7 | -76.1 | -175.2 | -174.3 | 171.1 | 0 | 111.5 | N142 E143 K148 A149 | N142-K145 HydrophobicContact CB-CB 4.43Å; N142-K145 PolarHBondContact O-N 3.48Å; N142-K145 VanDerWaalsContact O-N 3.08Å; N142-K145 PolarHBondContact OD1-N 2.84Å; N142-K145 VanDerWaalsContact OD1-N 3.15Å; E143-K145 VanDerWaalsContact C-N 3.29Å; E143-K145 PolarHBondContact O-N 2.73Å; K145-K148 PolarHBondContact O-N 3.35Å; K145-A149 WeakPolarHBondContact O-CB 3.42Å; K145-A149 PolarHBondContact O-N 3.27Å |
| 146 | I | 96.8 | Very high | 96.9 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 177.4 | -62.4 | 171.5 | 0 | 0 | 0 | 110.2 | C140 N142 E143 K148 A149 D150 Y500 | C140-I146 WeakPolarHBondContact O-CD1 3.39Å; N142-I146 PolarHBondContact O-N 3.03Å; E143-I146 PolarHBondContact O-N 3.28Å; I146-K148 PolarHBondContact O-N 3.21Å; I146-A149 PolarHBondContact O-N 3.44Å; I146-D150 PolarHBondContact O-N 3.12Å; I146-Y500 HydrophobicContact CD1-CD1 3.63Å; I146-Y500 HydrophobicContact CD1-CE1 3.95Å; I146-Y500 HydrophobicContact CD1-CG 3.99Å; I146-Y500 HydrophobicContact CG1-CD1 3.76Å; I146-Y500 HydrophobicContact CG1-CE1 4.46Å; I146-Y500 HydrophobicContact CG1-CG 4.18Å |
| 147 | E | 97.4 | Very high | 96.8 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64 | -38 | 176.9 | -68.1 | -53 | 133.3 | 0 | 0 | 112.5 | E143 D150 S377 R378 | E143-E147 WeakPolarHBondContact O-CB 3.31Å; E143-E147 WeakPolarHBondContact O-CG 3.38Å; E143-E147 PolarHBondContact O-N 2.89Å; E147-D150 WeakPolarHBondContact O-CB 3.36Å; E147-S377 WeakPolarHBondContact OE1-CA 3.33Å; E147-S377 WeakPolarHBondContact OE2-CB 3.36Å; E147-R378 VanDerWaalsContact OE1-CB 3.3Å; E147-R378 WeakPolarHBondContact OE1-CB 3.32Å; E147-R378 PolarHBondContact OE1-N 3.16Å |
| 148 | K | 97.4 | Very high | 96.7 | Very high | 161 Ų | 161 | 50.3 Ų | 50.3 | 70% | 0.7 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.7 | -33.6 | 175.7 | -75.7 | 175.2 | -177.6 | -177.3 | 0 | 113.2 | N144 K145 I146 K152 | N144-K148 WeakPolarHBondContact O-CB 3.41Å; N144-K148 VanDerWaalsContact O-CG 3.22Å; N144-K148 WeakPolarHBondContact O-CG 3.24Å; N144-K148 PolarHBondContact O-N 2.84Å; K145-K148 PolarHBondContact O-N 3.35Å; I146-K148 PolarHBondContact O-N 3.21Å; K148-K152 PolarHBondContact O-NZ 2.78Å |
| 149 | A | 96.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -74.8 | -40.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K145 I146 V151 K152 P153 | K145-A149 WeakPolarHBondContact O-CB 3.42Å; K145-A149 PolarHBondContact O-N 3.27Å; I146-A149 PolarHBondContact O-N 3.44Å; A149-V151 PolarHBondContact O-N 2.89Å; A149-K152 VanDerWaalsContact O-CB 3.3Å; A149-K152 WeakPolarHBondContact O-CB 3.25Å; A149-K152 VanDerWaalsContact O-CG 3.29Å; A149-K152 WeakPolarHBondContact O-CG 3.5Å; A149-K152 PolarHBondContact O-N 2.83Å; A149-P153 HydrophobicContact CB-CG 4.07Å |
| 150 | D | 96.4 | Very high | 96.2 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -120.6 | 176.4 | 177.9 | 46.6 | 0 | 0 | 0 | 111.3 | I146 E147 S377 R379 | I146-D150 PolarHBondContact O-N 3.12Å; E147-D150 WeakPolarHBondContact O-CB 3.36Å; D150-S377 VanDerWaalsContact OD1-CB 3.29Å; D150-S377 WeakPolarHBondContact OD1-CB 3.41Å; D150-S377 PolarHBondContact OD1-OG 3.29Å; D150-R379 IonicContact OD1-CZ 3.58Å; D150-R379 IonicContact OD1-NE 3.41Å; D150-R379 PolarHBondContact OD1-NE 3.25Å; D150-R379 IonicContact OD1-NH2 3.76Å; D150-R379 PolarHBondContact OD1-NH2 3.24Å; D150-R379 IonicContact OD2-CZ 3.97Å; D150-R379 IonicContact OD2-NE 2.73Å; D150-R379 IonicContact OD2-NH2 3.74Å; D150-R379 PolarHBondContact OD2-NH2 2.95Å |
| 151 | V | 95.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.8 | -177.8 | -65 | 0 | 0 | 0 | 0 | 114.1 | A149 P153 L154 L155 L258 R379 F380 | A149-V151 PolarHBondContact O-N 2.89Å; V151-P153 VanDerWaalsContact C-CD 3.45Å; V151-P153 VanDerWaalsContact C-N 3.35Å; V151-L154 PolarHBondContact O-N 2.64Å; V151-L154 VanDerWaalsContact O-N 3.08Å; V151-L155 HydrophobicContact CB-CD1 4.17Å; V151-L155 HydrophobicContact CB-CG 4.07Å; V151-L155 HydrophobicContact CG2-CD1 3.61Å; V151-L155 HydrophobicContact CG2-CG 4.07Å; V151-L155 PolarHBondContact O-N 3.48Å; V151-L258 HydrophobicContact CB-CD2 4.09Å; V151-L258 HydrophobicContact CG1-CD2 3.85Å; V151-R379 VanDerWaalsContact CG1-NH2 3.29Å; V151-F380 HydrophobicContact CG1-CD2 4.46Å; V151-F380 HydrophobicContact CG1-CE1 4.39Å; V151-F380 HydrophobicContact CG1-CE2 3.2Å; V151-F380 HydrophobicContact CG1-CZ 3.15Å |
| 152 | K | 95.9 | Very high | 95.7 | Very high | 142 Ų | 142 | 58.5 Ų | 58.5 | 62% | 0.617 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -55.6 | -43 | -166.3 | -60 | 167.4 | -174.7 | 161.1 | 0 | 112.6 | K148 A149 L154 L155 S156 | K148-K152 PolarHBondContact O-NZ 2.78Å; A149-K152 VanDerWaalsContact O-CB 3.3Å; A149-K152 WeakPolarHBondContact O-CB 3.25Å; A149-K152 VanDerWaalsContact O-CG 3.29Å; A149-K152 WeakPolarHBondContact O-CG 3.5Å; A149-K152 PolarHBondContact O-N 2.83Å; K152-L154 PolarHBondContact O-N 3.19Å; K152-L155 PolarHBondContact O-N 3.34Å; K152-S156 PolarHBondContact O-N 3.1Å |
| 153 | P | 96.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 21% | 0.214 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 178.9 | -22.7 | 35.1 | 0 | 0 | 0 | 113.1 | A149 V151 S156 I157 F501 | A149-P153 HydrophobicContact CB-CG 4.07Å; V151-P153 VanDerWaalsContact C-CD 3.45Å; V151-P153 VanDerWaalsContact C-N 3.35Å; P153-S156 WeakPolarHBondContact O-CB 3.39Å; P153-S156 PolarHBondContact O-N 3.11Å; P153-I157 PolarHBondContact O-N 3.45Å; P153-F501 HydrophobicContact CB-CB 3.86Å; P153-F501 HydrophobicContact CB-CD1 3.26Å; P153-F501 HydrophobicContact CB-CD2 4.02Å; P153-F501 HydrophobicContact CB-CE1 3.65Å; P153-F501 HydrophobicContact CB-CE2 4.38Å; P153-F501 HydrophobicContact CB-CG 3.45Å; P153-F501 VanDerWaalsContact CB-CG 3.45Å; P153-F501 HydrophobicContact CB-CZ 4.21Å; P153-F501 HydrophobicContact CG-CB 4.13Å; P153-F501 HydrophobicContact CG-CD1 4.39Å; P153-F501 HydrophobicContact CG-CG 4.17Å |
| 154 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70 | -44.5 | 177.2 | 179.5 | 60.4 | 0 | 0 | 0 | 111.3 | V151 K152 S156 I157 L158 L258 V369 L376 F501 | V151-L154 PolarHBondContact O-N 2.64Å; V151-L154 VanDerWaalsContact O-N 3.08Å; K152-L154 PolarHBondContact O-N 3.19Å; L154-S156 PolarHBondContact O-N 3.33Å; L154-I157 WeakPolarHBondContact O-CB 3.41Å; L154-I157 PolarHBondContact O-N 3.01Å; L154-L158 HydrophobicContact CD1-CD2 4.48Å; L154-L158 HydrophobicContact CD1-CG 4.29Å; L154-L158 HydrophobicContact CG-CD1 4.13Å; L154-L158 HydrophobicContact CG-CG 4.27Å; L154-L158 WeakPolarHBondContact O-CG 3.39Å; L154-L158 PolarHBondContact O-N 3.11Å; L154-L258 HydrophobicContact CD2-CD1 4.11Å; L154-L258 HydrophobicContact CD2-CD2 4.07Å; L154-V369 HydrophobicContact CD2-CG1 4.21Å; L154-V369 HydrophobicContact CD2-CG2 4.3Å; L154-L376 HydrophobicContact CB-CD1 4.4Å; L154-L376 HydrophobicContact CB-CD2 4.03Å; L154-L376 HydrophobicContact CD2-CD1 3.78Å; L154-F501 HydrophobicContact CB-CZ 4.2Å |
| 155 | L | 95.6 | Very high | 95.6 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -34.1 | 176.4 | -69.2 | -172.1 | 0 | 0 | 0 | 112.1 | V151 K152 I157 L158 K159 L168 I172 L258 | V151-L155 HydrophobicContact CB-CD1 4.17Å; V151-L155 HydrophobicContact CB-CG 4.07Å; V151-L155 HydrophobicContact CG2-CD1 3.61Å; V151-L155 HydrophobicContact CG2-CG 4.07Å; V151-L155 PolarHBondContact O-N 3.48Å; K152-L155 PolarHBondContact O-N 3.34Å; L155-I157 VanDerWaalsContact C-N 3.3Å; L155-I157 PolarHBondContact O-N 3.26Å; L155-L158 HydrophobicContact CD2-CD1 4.28Å; L155-L158 PolarHBondContact O-N 2.67Å; L155-K159 VanDerWaalsContact O-CG 3.3Å; L155-K159 WeakPolarHBondContact O-CG 3.39Å; L155-K159 PolarHBondContact O-N 3.28Å; L155-L168 HydrophobicContact CD2-CD1 4.44Å; L155-I172 HydrophobicContact CD1-CG2 4.37Å; L155-I172 HydrophobicContact CD2-CG2 3.85Å; L155-L258 HydrophobicContact CD2-CB 4.46Å; L155-L258 HydrophobicContact CD2-CD2 3.98Å |
| 156 | S | 95.1 | Very high | 95.6 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 47% | 0.469 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.8 | -42.7 | 173.2 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | K152 P153 L154 H160 | K152-S156 PolarHBondContact O-N 3.1Å; P153-S156 WeakPolarHBondContact O-CB 3.39Å; P153-S156 PolarHBondContact O-N 3.11Å; L154-S156 PolarHBondContact O-N 3.33Å; S156-H160 PolarHBondContact O-CE1 3.07Å; S156-H160 PolarHBondContact O-ND1 3.43Å |
| 157 | I | 95.4 | Very high | 95.7 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 174.2 | -62.1 | 169.3 | 0 | 0 | 0 | 110.5 | P153 L154 L155 K159 H160 F163 Y196 M368 F501 L505 | P153-I157 PolarHBondContact O-N 3.45Å; L154-I157 WeakPolarHBondContact O-CB 3.41Å; L154-I157 PolarHBondContact O-N 3.01Å; L155-I157 VanDerWaalsContact C-N 3.3Å; L155-I157 PolarHBondContact O-N 3.26Å; I157-K159 PolarHBondContact O-N 2.85Å; I157-H160 PolarHBondContact O-N 3.45Å; I157-F163 HydrophobicContact CG2-CB 4.11Å; I157-F163 HydrophobicContact CG2-CD2 3.71Å; I157-F163 HydrophobicContact CG2-CG 4.16Å; I157-Y196 HydrophobicContact CD1-CE1 4.13Å; I157-M368 HydrophobicContact CD1-CE 4.1Å; I157-F501 HydrophobicContact CD1-CE1 3.78Å; I157-F501 HydrophobicContact CD1-CZ 4.15Å; I157-L505 HydrophobicContact CD1-CD1 3.99Å; I157-L505 HydrophobicContact CD1-CD2 4.17Å |
| 158 | L | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -15.1 | -176.1 | -60.1 | -175.6 | 0 | 0 | 0 | 113.6 | L154 L155 H160 F163 R164 W165 L168 I172 V365 V369 | L154-L158 HydrophobicContact CD1-CD2 4.48Å; L154-L158 HydrophobicContact CD1-CG 4.29Å; L154-L158 HydrophobicContact CG-CD1 4.13Å; L154-L158 HydrophobicContact CG-CG 4.27Å; L154-L158 WeakPolarHBondContact O-CG 3.39Å; L154-L158 PolarHBondContact O-N 3.11Å; L155-L158 HydrophobicContact CD2-CD1 4.28Å; L155-L158 PolarHBondContact O-N 2.67Å; L158-H160 VanDerWaalsContact C-N 3.29Å; L158-F163 HydrophobicContact CD2-CB 4.26Å; L158-F163 WeakPolarHBondContact CD2-O 3.47Å; L158-R164 VanDerWaalsContact O-CA 3.23Å; L158-R164 WeakPolarHBondContact O-CA 3.4Å; L158-W165 HydrophobicContact CD1-CE3 4.17Å; L158-L168 HydrophobicContact CD1-CD1 3.81Å; L158-I172 HydrophobicContact CB-CD1 4.19Å; L158-V365 HydrophobicContact CD2-CG1 3.54Å; L158-V369 HydrophobicContact CD1-CG2 4.15Å; L158-V369 HydrophobicContact CD2-CG2 4.17Å |
| 159 | K | 94.2 | Very high | 95.1 | Very high | 68 Ų | 68 | 37 Ų | 37 | 30% | 0.296 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -14.8 | 172.3 | -73.7 | 175.7 | -167.9 | -145.9 | 0 | 113.4 | L155 I157 R164 I172 E175 | L155-K159 VanDerWaalsContact O-CG 3.3Å; L155-K159 WeakPolarHBondContact O-CG 3.39Å; L155-K159 PolarHBondContact O-N 3.28Å; I157-K159 PolarHBondContact O-N 2.85Å; K159-R164 PolarHBondContact O-NE 2.78Å; K159-I172 WeakPolarHBondContact CE-O 3.21Å; K159-I172 HydrophobicContact CG-CB 4.43Å; K159-I172 HydrophobicContact CG-CD1 4.01Å; K159-I172 HydrophobicContact CG-CG1 4.4Å; K159-I172 PolarHBondContact NZ-O 3.23Å; K159-E175 CarbonylContact O-C 3.47Å |
| 160 | H | 92.6 | Very high | 94.2 | Very high | 110 Ų | 110 | 38.5 Ų | 38.5 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -112 | 148.1 | -171.7 | -62.8 | 90.2 | 0 | 0 | 0 | 112.2 | S156 I157 L158 F163 R164 | S156-H160 PolarHBondContact O-CE1 3.07Å; S156-H160 PolarHBondContact O-ND1 3.43Å; I157-H160 PolarHBondContact O-N 3.45Å; L158-H160 VanDerWaalsContact C-N 3.29Å; H160-F163 CarbonylContact O-C 3.52Å; H160-F163 PolarHBondContact O-N 2.95Å; H160-R164 PolarHBondContact O-N 3.22Å |
| 161 | S | 90.7 | Very high | 93.6 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 55% | 0.545 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 139.4 | 169.9 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 162 | P | 94.7 | Very high | 93 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 13% | 0.13 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.6 | 7.8 | 5.7 | 36.4 | -35.2 | 0 | 0 | 0 | 115.3 | T188 T191 | P162-T188 HydrophobicContact CB-CG2 4.27Å; P162-T188 WeakPolarHBondContact CB-OG1 3.27Å; P162-T188 HydrophobicContact CG-CG2 4.44Å; P162-T191 HydrophobicContact CG-CG2 4.15Å |
| 163 | F | 95.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 2% | 0.022 | 20% | 0.2 | C | C | . | . | trans | -96.4 | 12.6 | -168.4 | -62.3 | -59.2 | 0 | 0 | 0 | 116.3 | I157 L158 H160 W165 T188 T191 L192 Y196 V365 | I157-F163 HydrophobicContact CG2-CB 4.11Å; I157-F163 HydrophobicContact CG2-CD2 3.71Å; I157-F163 HydrophobicContact CG2-CG 4.16Å; L158-F163 HydrophobicContact CD2-CB 4.26Å; L158-F163 WeakPolarHBondContact CD2-O 3.47Å; H160-F163 CarbonylContact O-C 3.52Å; H160-F163 PolarHBondContact O-N 2.95Å; F163-W165 PolarHBondContact O-N 2.96Å; F163-T188 HydrophobicContact CE1-CG2 4.26Å; F163-T191 HydrophobicContact CE2-CG2 3.54Å; F163-T191 HydrophobicContact CZ-CG2 3.67Å; F163-L192 HydrophobicContact CE1-CD1 4.48Å; F163-L192 HydrophobicContact CE1-CD2 3.52Å; F163-L192 HydrophobicContact CE1-CG 3.69Å; F163-L192 HydrophobicContact CZ-CD2 3.92Å; F163-L192 HydrophobicContact CZ-CG 4.03Å; F163-Y196 HydrophobicContact CD2-CE2 4.41Å; F163-Y196 AromaticContact CE2-CD2 3.97Å; F163-Y196 HydrophobicContact CE2-CD2 3.97Å; F163-Y196 AromaticContact CE2-CE2 3.4Å; F163-Y196 HydrophobicContact CE2-CE2 3.4Å; F163-Y196 VanDerWaalsContact CE2-CE2 3.4Å; F163-Y196 AromaticContact CE2-CZ 4Å; F163-Y196 AromaticContact CZ-CD2 3.96Å; F163-Y196 HydrophobicContact CZ-CD2 3.96Å; F163-Y196 AromaticContact CZ-CE2 3.9Å; F163-Y196 HydrophobicContact CZ-CE2 3.9Å; F163-V365 HydrophobicContact CD1-CG2 4.41Å | ||
| 164 | R | 95.5 | Very high | 92.1 | Very high | 45 Ų | 45 | 38 Ų | 38 | 17% | 0.17 | 22% | 0.217 | C | C | . | . | trans | -54.2 | 114.1 | 169 | -66.8 | 179.7 | -176.2 | 146.6 | -9.1 | 109.7 | L158 K159 H160 P166 E175 L177 W178 | L158-R164 VanDerWaalsContact O-CA 3.23Å; L158-R164 WeakPolarHBondContact O-CA 3.4Å; K159-R164 PolarHBondContact O-NE 2.78Å; H160-R164 PolarHBondContact O-N 3.22Å; R164-P166 VanDerWaalsContact O-CD 3.3Å; R164-P166 WeakPolarHBondContact O-CD 3.46Å; R164-E175 WeakPolarHBondContact CD-O 3.34Å; R164-E175 PolarHBondContact NE-O 3.26Å; R164-E175 PolarHBondContact NH2-O 2.77Å; R164-E175 VanDerWaalsContact NH2-O 3.13Å; R164-L177 VanDerWaalsContact CD-O 3.27Å; R164-L177 WeakPolarHBondContact CD-O 3.44Å; R164-W178 HydrophobicContact CB-CB 4.13Å | ||
| 165 | W | 97.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | trans | -87.8 | 113.2 | -173.5 | -158.5 | 9 | 0 | 0 | 0 | 109.9 | L158 F163 V167 L168 A255 L258 M269 N362 V365 W366 V369 | L158-W165 HydrophobicContact CD1-CE3 4.17Å; F163-W165 PolarHBondContact O-N 2.96Å; W165-V167 HydrophobicContact CD2-CG1 3.41Å; W165-V167 VanDerWaalsContact CD2-CG1 3.41Å; W165-V167 VanDerWaalsContact CE2-CG1 3.46Å; W165-V167 HydrophobicContact CE3-CG1 3.83Å; W165-V167 HydrophobicContact CG-CG1 3.73Å; W165-V167 HydrophobicContact CH2-CG1 4.27Å; W165-V167 HydrophobicContact CZ2-CG1 3.92Å; W165-V167 HydrophobicContact CZ3-CG1 4.22Å; W165-V167 PolarHBondContact O-N 2.97Å; W165-L168 HydrophobicContact CB-CD1 4.04Å; W165-L168 HydrophobicContact CB-CG 4.07Å; W165-L168 HydrophobicContact CD2-CG 4.44Å; W165-L168 HydrophobicContact CE3-CD1 3.94Å; W165-L168 HydrophobicContact CE3-CD2 4.28Å; W165-L168 HydrophobicContact CE3-CG 3.93Å; W165-L168 PolarHBondContact O-N 3.19Å; W165-A255 HydrophobicContact CH2-CB 3.89Å; W165-A255 HydrophobicContact CZ3-CB 4.23Å; W165-L258 HydrophobicContact CE3-CD1 4.38Å; W165-L258 HydrophobicContact CZ3-CD1 3.66Å; W165-M269 HydrophobicContact CZ2-CE 4.2Å; W165-M269 HydrophobicContact CZ2-SD 4.21Å; W165-N362 VanDerWaalsContact CD1-OD1 3.27Å; W165-N362 PolarHBondContact NE1-O 3.3Å; W165-N362 VanDerWaalsContact NE1-O 3.17Å; W165-N362 PolarHBondContact NE1-OD1 3.23Å; W165-V365 HydrophobicContact CB-CB 4.3Å; W165-V365 HydrophobicContact CB-CG1 3.62Å; W165-V365 VanDerWaalsContact CD1-CB 3.49Å; W165-V365 HydrophobicContact CD2-CB 4.47Å; W165-V365 HydrophobicContact CD2-CG1 3.86Å; W165-V365 HydrophobicContact CG-CB 3.86Å; W165-V365 HydrophobicContact CG-CG1 3.42Å; W165-V365 VanDerWaalsContact CG-CG1 3.42Å; W165-W366 HydrophobicContact CH2-CE3 4.17Å; W165-W366 HydrophobicContact CZ2-CB 4.22Å; W165-W366 HydrophobicContact CZ2-CE3 4.16Å; W165-V369 HydrophobicContact CE3-CG2 4.06Å; W165-V369 HydrophobicContact CH2-CG1 4.31Å; W165-V369 HydrophobicContact CH2-CG2 4.35Å; W165-V369 HydrophobicContact CZ3-CB 4.5Å; W165-V369 HydrophobicContact CZ3-CG1 4.24Å; W165-V369 HydrophobicContact CZ3-CG2 3.96Å | ||
| 166 | P | 97.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -55.4 | -30.3 | -174.9 | -21.5 | 24.2 | 0 | 0 | 0 | 115 | R164 L168 E169 W178 K358 A361 N362 | R164-P166 VanDerWaalsContact O-CD 3.3Å; R164-P166 WeakPolarHBondContact O-CD 3.46Å; P166-L168 PolarHBondContact O-N 3.39Å; P166-E169 PolarHBondContact O-N 3.49Å; P166-W178 HydrophobicContact CB-CB 4.29Å; P166-W178 HydrophobicContact CB-CD2 4.13Å; P166-W178 HydrophobicContact CB-CE3 4.2Å; P166-W178 HydrophobicContact CB-CG 4.18Å; P166-W178 HydrophobicContact CG-CB 4.17Å; P166-W178 HydrophobicContact CG-CD2 3.64Å; P166-W178 HydrophobicContact CG-CE3 4.14Å; P166-W178 HydrophobicContact CG-CG 3.64Å; P166-K358 HydrophobicContact CB-CD 4.32Å; P166-K358 HydrophobicContact CB-CG 3.65Å; P166-K358 HydrophobicContact CG-CG 4.15Å; P166-A361 HydrophobicContact CG-CB 3.73Å; P166-N362 WeakPolarHBondContact CB-OD1 3.36Å; P166-N362 WeakPolarHBondContact CD-OD1 3.38Å; P166-N362 WeakPolarHBondContact CG-OD1 3.13Å |
| 167 | V | 97.7 | Very high | 91 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -65.8 | -24.2 | 179.7 | 75.1 | 0 | 0 | 0 | 0 | 113.6 | W165 A255 A260 A265 D268 M269 N362 | W165-V167 HydrophobicContact CD2-CG1 3.41Å; W165-V167 VanDerWaalsContact CD2-CG1 3.41Å; W165-V167 VanDerWaalsContact CE2-CG1 3.46Å; W165-V167 HydrophobicContact CE3-CG1 3.83Å; W165-V167 HydrophobicContact CG-CG1 3.73Å; W165-V167 HydrophobicContact CH2-CG1 4.27Å; W165-V167 HydrophobicContact CZ2-CG1 3.92Å; W165-V167 HydrophobicContact CZ3-CG1 4.22Å; W165-V167 PolarHBondContact O-N 2.97Å; V167-A255 HydrophobicContact CG1-CB 4.12Å; V167-A255 HydrophobicContact CG2-CB 4.33Å; V167-A260 HydrophobicContact CG2-CB 4.07Å; V167-A265 HydrophobicContact CG2-CB 4.21Å; V167-D268 HydrophobicContact CG2-CB 4.04Å; V167-M269 HydrophobicContact CB-CE 4.3Å; V167-M269 HydrophobicContact CG1-CE 4.49Å; V167-M269 HydrophobicContact CG2-CE 4.3Å; V167-N362 PolarHBondContact N-OD1 2.89Å; V167-N362 VanDerWaalsContact N-OD1 3.07Å |
| 168 | L | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -85.7 | -19.8 | -178.3 | -61.6 | -177.7 | 0 | 0 | 0 | 113.8 | L155 L158 W165 P166 S170 N171 I172 L258 A260 | L155-L168 HydrophobicContact CD2-CD1 4.44Å; L158-L168 HydrophobicContact CD1-CD1 3.81Å; W165-L168 HydrophobicContact CB-CD1 4.04Å; W165-L168 HydrophobicContact CB-CG 4.07Å; W165-L168 HydrophobicContact CD2-CG 4.44Å; W165-L168 HydrophobicContact CE3-CD1 3.94Å; W165-L168 HydrophobicContact CE3-CD2 4.28Å; W165-L168 HydrophobicContact CE3-CG 3.93Å; W165-L168 PolarHBondContact O-N 3.19Å; P166-L168 PolarHBondContact O-N 3.39Å; L168-S170 PolarHBondContact O-N 3.13Å; L168-N171 VanDerWaalsContact O-CB 3.3Å; L168-N171 WeakPolarHBondContact O-CB 3.34Å; L168-N171 PolarHBondContact O-N 3.18Å; L168-N171 VanDerWaalsContact O-N 3.1Å; L168-I172 HydrophobicContact CB-CD1 4.43Å; L168-I172 HydrophobicContact CB-CG1 4.4Å; L168-I172 HydrophobicContact CB-CG2 4.5Å; L168-I172 HydrophobicContact CD1-CD1 3.99Å; L168-I172 HydrophobicContact CD1-CG2 4.09Å; L168-L258 HydrophobicContact CD2-CB 4.04Å; L168-A260 HydrophobicContact CD2-CB 4.01Å |
| 169 | E | 86.5 | Confident | 90.9 | Very high | 69 Ų | 69 | 45.5 Ų | 45.5 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | -130.6 | -175.5 | -62.6 | -164.8 | 158.8 | 0 | 0 | 114.2 | P166 N171 R264 | P166-E169 PolarHBondContact O-N 3.49Å; E169-N171 VanDerWaalsContact C-N 3.34Å; E169-R264 IonicContact OE1-CZ 2.94Å; E169-R264 IonicContact OE1-NE 2.63Å; E169-R264 PolarHBondContact OE1-NE 2.93Å; E169-R264 IonicContact OE1-NH1 2.88Å; E169-R264 PolarHBondContact OE1-NH1 3.43Å; E169-R264 IonicContact OE1-NH2 2.81Å; E169-R264 PolarHBondContact OE1-NH2 3.26Å; E169-R264 IonicContact OE2-CZ 2.75Å; E169-R264 IonicContact OE2-NH1 3.05Å; E169-R264 PolarHBondContact OE2-NH1 2.72Å; E169-R264 IonicContact OE2-NH2 2.92Å; E169-R264 PolarHBondContact OE2-NH2 3.19Å |
| 170 | S | 77.4 | Confident | 91 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 47% | 0.469 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0 | 178.2 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | L168 I172 G173 | L168-S170 PolarHBondContact O-N 3.13Å; S170-I172 PolarHBondContact O-N 3.22Å; S170-I172 VanDerWaalsContact O-N 3.08Å; S170-G173 WeakPolarHBondContact O-CA 3.34Å; S170-G173 PolarHBondContact O-N 2.95Å |
| 171 | N | 83.6 | Confident | 91.1 | Very high | 92 Ų | 92 | 53.5 Ų | 53.5 | 49% | 0.492 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.7 | -175.3 | -66.1 | -13.5 | 0 | 0 | 0 | 112.6 | L168 E169 G259 | L168-N171 VanDerWaalsContact O-CB 3.3Å; L168-N171 WeakPolarHBondContact O-CB 3.34Å; L168-N171 PolarHBondContact O-N 3.18Å; L168-N171 VanDerWaalsContact O-N 3.1Å; E169-N171 VanDerWaalsContact C-N 3.34Å; N171-G259 WeakPolarHBondContact CB-O 3.47Å; N171-G259 PolarHBondContact ND2-O 3.4Å |
| 172 | I | 83.7 | Confident | 91.3 | Very high | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 12.5 | 174.1 | 60.8 | 164.4 | 0 | 0 | 0 | 113.1 | L155 L158 K159 L168 S170 | L155-I172 HydrophobicContact CD1-CG2 4.37Å; L155-I172 HydrophobicContact CD2-CG2 3.85Å; L158-I172 HydrophobicContact CB-CD1 4.19Å; K159-I172 WeakPolarHBondContact CE-O 3.21Å; K159-I172 HydrophobicContact CG-CB 4.43Å; K159-I172 HydrophobicContact CG-CD1 4.01Å; K159-I172 HydrophobicContact CG-CG1 4.4Å; K159-I172 PolarHBondContact NZ-O 3.23Å; L168-I172 HydrophobicContact CB-CD1 4.43Å; L168-I172 HydrophobicContact CB-CG1 4.4Å; L168-I172 HydrophobicContact CB-CG2 4.5Å; L168-I172 HydrophobicContact CD1-CD1 3.99Å; L168-I172 HydrophobicContact CD1-CG2 4.09Å; S170-I172 PolarHBondContact O-N 3.22Å; S170-I172 VanDerWaalsContact O-N 3.08Å |
| 173 | G | 85.8 | Confident | 91.3 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | trans | 102.5 | 166.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | S170 E175 G176 | S170-G173 WeakPolarHBondContact O-CA 3.34Å; S170-G173 PolarHBondContact O-N 2.95Å; G173-E175 PolarHBondContact O-N 2.64Å; G173-G176 PolarHBondContact O-N 2.9Å | ||
| 174 | P | 86.4 | Confident | 91.4 | Very high | 90 Ų | 90 | 59.8 Ų | 59.8 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -61.5 | -32.6 | -179.2 | 24.8 | -32.7 | 0 | 0 | 0 | 112.3 | G176 L177 | P174-G176 PolarHBondContact O-N 3.43Å; P174-L177 HydrophobicContact CB-CD1 4.48Å; P174-L177 WeakPolarHBondContact O-CB 3.18Å; P174-L177 WeakPolarHBondContact O-CG 3.34Å; P174-L177 PolarHBondContact O-N 3.31Å; P174-L177 VanDerWaalsContact O-N 3.15Å |
| 175 | E | 87.1 | Confident | 91.5 | Very high | 106 Ų | 106 | 59.4 Ų | 59.4 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -58.7 | -29.9 | 173.4 | 15.8 | -72.8 | 168.4 | 0 | 0 | 112.5 | K159 R164 G173 L177 | K159-E175 CarbonylContact O-C 3.47Å; R164-E175 WeakPolarHBondContact CD-O 3.34Å; R164-E175 PolarHBondContact NE-O 3.26Å; R164-E175 PolarHBondContact NH2-O 2.77Å; R164-E175 VanDerWaalsContact NH2-O 3.13Å; G173-E175 PolarHBondContact O-N 2.64Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 2.75Å |
| 176 | G | 87 | Confident | 91.6 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -81 | -4.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G173 P174 W178 | G173-G176 PolarHBondContact O-N 2.9Å; P174-G176 PolarHBondContact O-N 3.43Å; G176-W178 PolarHBondContact O-N 2.94Å; G176-W178 VanDerWaalsContact O-N 3.09Å |
| 177 | L | 91.7 | Very high | 91.6 | Very high | 77 Ų | 77 | 63 Ų | 63 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | trans | -64.2 | 112.1 | -177.5 | -76 | 169.2 | 0 | 0 | 0 | 112.2 | R164 P174 E175 | R164-L177 VanDerWaalsContact CD-O 3.27Å; R164-L177 WeakPolarHBondContact CD-O 3.44Å; P174-L177 HydrophobicContact CB-CD1 4.48Å; P174-L177 WeakPolarHBondContact O-CB 3.18Å; P174-L177 WeakPolarHBondContact O-CG 3.34Å; P174-L177 PolarHBondContact O-N 3.31Å; P174-L177 VanDerWaalsContact O-N 3.15Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 2.75Å | ||
| 178 | W | 95.4 | Very high | 91.6 | Very high | 52 Ų | 52 | 63.1 Ų | 63.1 | 20% | 0.197 | 31% | 0.313 | C | S | . | . | trans | -69.2 | 143.8 | 172.2 | -176.4 | 87 | 0 | 0 | 0 | 111 | R164 P166 G176 E180 F183 K357 K358 A361 | R164-W178 HydrophobicContact CB-CB 4.13Å; P166-W178 HydrophobicContact CB-CB 4.29Å; P166-W178 HydrophobicContact CB-CD2 4.13Å; P166-W178 HydrophobicContact CB-CE3 4.2Å; P166-W178 HydrophobicContact CB-CG 4.18Å; P166-W178 HydrophobicContact CG-CB 4.17Å; P166-W178 HydrophobicContact CG-CD2 3.64Å; P166-W178 HydrophobicContact CG-CE3 4.14Å; P166-W178 HydrophobicContact CG-CG 3.64Å; G176-W178 PolarHBondContact O-N 2.94Å; G176-W178 VanDerWaalsContact O-N 3.09Å; W178-E180 VanDerWaalsContact CH2-CA 3.42Å; W178-E180 HydrophobicContact CH2-CB 3.56Å; W178-E180 HydrophobicContact CH2-CG 3.92Å; W178-E180 HydrophobicContact CZ2-CB 4.42Å; W178-E180 HydrophobicContact CZ3-CB 3.7Å; W178-E180 HydrophobicContact CZ3-CG 4.47Å; W178-F183 HydrophobicContact CZ2-CB 3.74Å; W178-F183 HydrophobicContact CZ2-CD1 4.39Å; W178-F183 HydrophobicContact CZ2-CD2 4.41Å; W178-F183 AromaticContact CZ2-CG 3.92Å; W178-F183 HydrophobicContact CZ2-CG 3.92Å; W178-F183 AromaticContact NE1-CD2 3.86Å; W178-K357 HydrophobicContact CH2-CB 4.26Å; W178-K357 HydrophobicContact CZ2-CB 4.5Å; W178-K358 HydrophobicContact CH2-CB 4.04Å; W178-K358 HydrophobicContact CZ3-CB 4.11Å; W178-K358 HydrophobicContact CZ3-CG 4.34Å; W178-A361 HydrophobicContact CZ2-CB 3.75Å | ||
| 179 | S | 94 | Very high | 91.8 | Very high | 39 Ų | 39 | 63.2 Ų | 63.2 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | trans | -135.8 | 124.4 | 178.8 | 173 | 0 | 0 | 0 | 0 | 109.6 | R181 R182 F183 | S179-R181 PolarHBondContact O-N 2.79Å; S179-R182 PolarHBondContact O-N 2.78Å; S179-R182 VanDerWaalsContact O-N 3.11Å; S179-F183 PolarHBondContact O-N 2.92Å; S179-F183 VanDerWaalsContact O-N 3.12Å | ||
| 180 | E | 95.4 | Very high | 92.3 | Very high | 102 Ų | 102 | 60 Ų | 60 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -59.2 | -36.5 | 178.7 | -173.5 | 167.8 | -179.5 | 0 | 0 | 112.8 | W178 R182 F183 K357 | W178-E180 VanDerWaalsContact CH2-CA 3.42Å; W178-E180 HydrophobicContact CH2-CB 3.56Å; W178-E180 HydrophobicContact CH2-CG 3.92Å; W178-E180 HydrophobicContact CZ2-CB 4.42Å; W178-E180 HydrophobicContact CZ3-CB 3.7Å; W178-E180 HydrophobicContact CZ3-CG 4.47Å; E180-R182 VanDerWaalsContact C-N 3.3Å; E180-R182 PolarHBondContact O-N 3.26Å; E180-F183 PolarHBondContact O-N 2.93Å; E180-K357 HydrophobicContact CG-CB 3.97Å; E180-K357 HydrophobicContact CG-CD 3.64Å; E180-K357 HydrophobicContact CG-CG 4.4Å; E180-K357 WeakPolarHBondContact OE1-CD 3.42Å |
| 181 | R | 95.3 | Very high | 93.3 | Very high | 244 Ų | 244 | 57.1 Ų | 57.1 | 92% | 0.921 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -67.5 | -29.1 | 178.6 | -65.5 | -175 | 179.9 | -174 | -0.3 | 113.1 | S179 | S179-R181 PolarHBondContact O-N 2.79Š|
| 182 | R | 93.4 | Very high | 94 | Very high | 150 Ų | 150 | 52.8 Ų | 52.8 | 57% | 0.566 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -94.4 | -7.9 | -179.8 | -62.5 | -169.3 | -67.6 | -172.5 | -2.6 | 112.9 | S179 E180 S184 | S179-R182 PolarHBondContact O-N 2.78Å; S179-R182 VanDerWaalsContact O-N 3.11Å; E180-R182 VanDerWaalsContact C-N 3.3Å; E180-R182 PolarHBondContact O-N 3.26Å; R182-S184 PolarHBondContact O-N 3.42Å |
| 183 | F | 96.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | trans | -70.7 | 126.5 | -179.5 | 174.8 | -113.2 | 0 | 0 | 0 | 110.7 | W178 S179 E180 L185 K357 I360 A361 L364 | W178-F183 HydrophobicContact CZ2-CB 3.74Å; W178-F183 HydrophobicContact CZ2-CD1 4.39Å; W178-F183 HydrophobicContact CZ2-CD2 4.41Å; W178-F183 AromaticContact CZ2-CG 3.92Å; W178-F183 HydrophobicContact CZ2-CG 3.92Å; W178-F183 AromaticContact NE1-CD2 3.86Å; S179-F183 PolarHBondContact O-N 2.92Å; S179-F183 VanDerWaalsContact O-N 3.12Å; E180-F183 PolarHBondContact O-N 2.93Å; F183-L185 HydrophobicContact CE1-CB 4.43Å; F183-L185 HydrophobicContact CZ-CB 4.4Å; F183-K357 HydrophobicContact CD1-CB 4.14Å; F183-K357 HydrophobicContact CD1-CD 4.48Å; F183-K357 HydrophobicContact CD1-CG 4.38Å; F183-I360 HydrophobicContact CE1-CG2 4.34Å; F183-I360 HydrophobicContact CZ-CG2 4.05Å; F183-A361 HydrophobicContact CD2-CB 3.94Å; F183-A361 HydrophobicContact CE2-CB 3.73Å; F183-A361 HydrophobicContact CZ-CB 4.11Å; F183-L364 HydrophobicContact CE2-CD1 4.02Å; F183-L364 HydrophobicContact CZ-CD1 3.83Å | ||
| 184 | S | 97.1 | Very high | 95.3 | Very high | 52 Ų | 52 | 52 Ų | 52 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | trans | -124.5 | 115 | 173.4 | 171.9 | 0 | 0 | 0 | 0 | 109.4 | R182 Q187 T188 | R182-S184 PolarHBondContact O-N 3.42Å; S184-Q187 PolarHBondContact O-N 3.4Å; S184-Q187 WeakPolarHBondContact OG-CB 3.43Å; S184-Q187 PolarHBondContact OG-N 3.47Å; S184-T188 WeakPolarHBondContact O-CB 3.35Å; S184-T188 PolarHBondContact O-N 3.37Å; S184-T188 PolarHBondContact O-OG1 3.25Å | ||
| 185 | L | 97.9 | Very high | 95.7 | Very high | 36 Ų | 36 | 52.4 Ų | 52.4 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -49.7 | 175.8 | 177 | 60.4 | 0 | 0 | 0 | 110.8 | F183 Q187 T188 L189 F201 F310 F349 L352 I360 L364 | F183-L185 HydrophobicContact CE1-CB 4.43Å; F183-L185 HydrophobicContact CZ-CB 4.4Å; L185-Q187 PolarHBondContact O-N 3.31Å; L185-T188 PolarHBondContact O-N 2.99Å; L185-L189 HydrophobicContact CD1-CD1 3.74Å; L185-L189 HydrophobicContact CD1-CG 3.93Å; L185-L189 HydrophobicContact CG-CD1 3.92Å; L185-L189 HydrophobicContact CG-CG 4.43Å; L185-L189 WeakPolarHBondContact O-CB 3.34Å; L185-L189 WeakPolarHBondContact O-CG 3.39Å; L185-L189 PolarHBondContact O-N 3.42Å; L185-F201 HydrophobicContact CD1-CE2 4.28Å; L185-F310 HydrophobicContact CD2-CD2 4.39Å; L185-F310 HydrophobicContact CD2-CE2 4.36Å; L185-F310 HydrophobicContact CG-CE2 4.3Å; L185-F349 HydrophobicContact CD2-CE1 4.25Å; L185-L352 HydrophobicContact CD2-CD1 4.08Å; L185-I360 HydrophobicContact CD1-CG2 4.02Å; L185-L364 HydrophobicContact CD1-CD1 3.69Å |
| 186 | V | 98.2 | Very high | 96.2 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 13% | 0.127 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.7 | -49.2 | -179.9 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | T188 A190 F310 D311 K318 | V186-T188 VanDerWaalsContact C-N 3.34Å; V186-T188 PolarHBondContact O-N 3.21Å; V186-A190 WeakPolarHBondContact O-CB 3.42Å; V186-A190 PolarHBondContact O-N 3.13Å; V186-F310 HydrophobicContact CB-CE2 4.48Å; V186-F310 HydrophobicContact CG2-CD2 4.02Å; V186-F310 HydrophobicContact CG2-CE2 3.61Å; V186-F310 HydrophobicContact CG2-CZ 4.15Å; V186-D311 HydrophobicContact CG2-CB 4.14Å; V186-K318 HydrophobicContact CG1-CD 4.06Å |
| 187 | Q | 97.9 | Very high | 96.6 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 179 | -177.6 | 59.6 | 42.1 | 0 | 0 | 111.7 | S184 L185 T191 | S184-Q187 PolarHBondContact O-N 3.4Å; S184-Q187 WeakPolarHBondContact OG-CB 3.43Å; S184-Q187 PolarHBondContact OG-N 3.47Å; L185-Q187 PolarHBondContact O-N 3.31Å; Q187-T191 PolarHBondContact NE2-OG1 3.44Å; Q187-T191 WeakPolarHBondContact O-CB 3.21Å; Q187-T191 PolarHBondContact O-N 3.48Å; Q187-T191 PolarHBondContact O-OG1 3.45Å |
| 188 | T | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -49.3 | -178.4 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | P162 F163 S184 L185 V186 T191 L192 L364 | P162-T188 HydrophobicContact CB-CG2 4.27Å; P162-T188 WeakPolarHBondContact CB-OG1 3.27Å; P162-T188 HydrophobicContact CG-CG2 4.44Å; F163-T188 HydrophobicContact CE1-CG2 4.26Å; S184-T188 WeakPolarHBondContact O-CB 3.35Å; S184-T188 PolarHBondContact O-N 3.37Å; S184-T188 PolarHBondContact O-OG1 3.25Å; L185-T188 PolarHBondContact O-N 2.99Å; V186-T188 VanDerWaalsContact C-N 3.34Å; V186-T188 PolarHBondContact O-N 3.21Å; T188-T191 PolarHBondContact O-N 2.99Å; T188-L192 HydrophobicContact CG2-CD1 4.25Å; T188-L192 WeakPolarHBondContact O-CG 3.39Å; T188-L192 PolarHBondContact O-N 3.49Å; T188-L364 HydrophobicContact CG2-CB 4Å; T188-L364 HydrophobicContact CG2-CD1 3.69Å; T188-L364 HydrophobicContact CG2-CG 4.42Å |
| 189 | L | 98.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.1 | -71.9 | 178.6 | 0 | 0 | 0 | 111.9 | L185 T191 L192 R193 V200 F201 I202 F310 Y315 L364 | L185-L189 HydrophobicContact CD1-CD1 3.74Å; L185-L189 HydrophobicContact CD1-CG 3.93Å; L185-L189 HydrophobicContact CG-CD1 3.92Å; L185-L189 HydrophobicContact CG-CG 4.43Å; L185-L189 WeakPolarHBondContact O-CB 3.34Å; L185-L189 WeakPolarHBondContact O-CG 3.39Å; L185-L189 PolarHBondContact O-N 3.42Å; L189-T191 VanDerWaalsContact C-N 3.29Å; L189-T191 PolarHBondContact O-N 3.48Å; L189-L192 HydrophobicContact CD2-CD1 4.49Å; L189-L192 PolarHBondContact O-N 2.83Å; L189-R193 PolarHBondContact O-N 3.05Å; L189-V200 HydrophobicContact CD2-CB 4.11Å; L189-V200 WeakPolarHBondContact CD2-O 2.72Å; L189-F201 HydrophobicContact CD1-CD2 4.39Å; L189-F201 HydrophobicContact CD2-CD2 4.05Å; L189-I202 HydrophobicContact CD1-CD1 4.15Å; L189-F310 HydrophobicContact CD1-CE2 3.9Å; L189-F310 HydrophobicContact CD1-CZ 3.95Å; L189-Y315 HydrophobicContact CB-CD2 4.14Å; L189-Y315 HydrophobicContact CB-CE2 3.73Å; L189-L364 HydrophobicContact CD2-CD2 3.53Å; L189-L364 HydrophobicContact CG-CD2 4.34Å |
| 190 | A | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V186 G194 Y315 K318 V319 | V186-A190 WeakPolarHBondContact O-CB 3.42Å; V186-A190 PolarHBondContact O-N 3.13Å; A190-G194 WeakPolarHBondContact O-CA 3.43Å; A190-G194 PolarHBondContact O-N 2.76Å; A190-Y315 HydrophobicContact CB-CD2 3.95Å; A190-Y315 HydrophobicContact CB-CE2 4.22Å; A190-K318 HydrophobicContact CB-CB 3.48Å; A190-K318 VanDerWaalsContact CB-CB 3.48Å; A190-K318 HydrophobicContact CB-CD 4.46Å; A190-V319 HydrophobicContact CB-CG2 3.89Å |
| 191 | T | 98.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.4 | -44.9 | 176.9 | -52.5 | 0 | 0 | 0 | 0 | 110.9 | P162 F163 Q187 T188 L189 R193 Q195 Y196 | P162-T191 HydrophobicContact CG-CG2 4.15Å; F163-T191 HydrophobicContact CE2-CG2 3.54Å; F163-T191 HydrophobicContact CZ-CG2 3.67Å; Q187-T191 PolarHBondContact NE2-OG1 3.44Å; Q187-T191 WeakPolarHBondContact O-CB 3.21Å; Q187-T191 PolarHBondContact O-N 3.48Å; Q187-T191 PolarHBondContact O-OG1 3.45Å; T188-T191 PolarHBondContact O-N 2.99Å; L189-T191 VanDerWaalsContact C-N 3.29Å; L189-T191 PolarHBondContact O-N 3.48Å; T191-R193 PolarHBondContact O-N 3.1Å; T191-Q195 HydrophobicContact CG2-CB 4.45Å; T191-Q195 HydrophobicContact CG2-CG 4.37Å; T191-Q195 WeakPolarHBondContact O-CB 3.37Å; T191-Q195 PolarHBondContact O-N 3.07Å; T191-Y196 HydrophobicContact CG2-CD2 4.32Å; T191-Y196 HydrophobicContact CG2-CE2 3.96Å; T191-Y196 WeakPolarHBondContact O-CD2 3.21Å |
| 192 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.5 | -50.8 | 175.8 | -76.5 | 166.2 | 0 | 0 | 0 | 111.7 | F163 T188 L189 Y196 S197 N198 V200 L364 M368 | F163-L192 HydrophobicContact CE1-CD1 4.48Å; F163-L192 HydrophobicContact CE1-CD2 3.52Å; F163-L192 HydrophobicContact CE1-CG 3.69Å; F163-L192 HydrophobicContact CZ-CD2 3.92Å; F163-L192 HydrophobicContact CZ-CG 4.03Å; T188-L192 HydrophobicContact CG2-CD1 4.25Å; T188-L192 WeakPolarHBondContact O-CG 3.39Å; T188-L192 PolarHBondContact O-N 3.49Å; L189-L192 HydrophobicContact CD2-CD1 4.49Å; L189-L192 PolarHBondContact O-N 2.83Å; L192-Y196 CarbonylContact O-C 3.58Å; L192-Y196 WeakPolarHBondContact O-CA 3.31Å; L192-Y196 WeakPolarHBondContact O-CB 3.38Å; L192-Y196 PolarHBondContact O-N 3.43Å; L192-S197 PolarHBondContact O-N 2.94Å; L192-S197 VanDerWaalsContact O-N 3.11Å; L192-N198 CarbonylContact C-O 3.51Å; L192-N198 VanDerWaalsContact C-O 3.27Å; L192-N198 HydrophobicContact CB-CB 4.22Å; L192-N198 HydrophobicContact CD2-CB 4.06Å; L192-N198 PolarHBondContact O-N 3.29Å; L192-V200 HydrophobicContact CD1-CB 4.2Å; L192-V200 HydrophobicContact CD1-CG2 3.88Å; L192-L364 HydrophobicContact CD1-CB 4.33Å; L192-L364 HydrophobicContact CD1-CD2 4.21Å; L192-M368 HydrophobicContact CD2-CB 3.81Å; L192-M368 HydrophobicContact CD2-CG 4.42Å |
| 193 | R | 97.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 27.1 Ų | 27.1 | 5% | 0.045 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.8 | -44.9 | -178.2 | 175.9 | 57.9 | -172.7 | 80.1 | 2.8 | 112.9 | L189 T191 N198 L204 V319 A512 D515 | L189-R193 PolarHBondContact O-N 3.05Å; T191-R193 PolarHBondContact O-N 3.1Å; R193-N198 WeakPolarHBondContact CA-O 3.29Å; R193-N198 PolarHBondContact N-O 3.3Å; R193-L204 PolarHBondContact NE-O 2.65Å; R193-L204 PolarHBondContact NH2-O 2.84Å; R193-V319 HydrophobicContact CB-CG1 4.41Å; R193-V319 HydrophobicContact CB-CG2 4.19Å; R193-V319 HydrophobicContact CG-CG1 3.77Å; R193-V319 HydrophobicContact CG-CG2 4.25Å; R193-A512 PolarHBondContact NH1-O 3.33Å; R193-A512 VanDerWaalsContact O-CB 3.3Å; R193-A512 WeakPolarHBondContact O-CB 3.43Å; R193-D515 IonicContact CZ-OD1 3.28Å; R193-D515 IonicContact NH2-OD1 3.11Å; R193-D515 PolarHBondContact NH2-OD1 3.35Å; R193-D515 IonicContact NH2-OD2 3.36Å; R193-D515 PolarHBondContact NH2-OD2 3.3Å |
| 194 | G | 97.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -84.4 | -18.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A190 A512 Q513 | A190-G194 WeakPolarHBondContact O-CA 3.43Å; A190-G194 PolarHBondContact O-N 2.76Å; G194-A512 VanDerWaalsContact C-CB 3.49Å; G194-A512 VanDerWaalsContact O-CB 3.29Å; G194-A512 WeakPolarHBondContact O-CB 3.44Å; G194-Q513 PolarHBondContact O-NE2 3.02Å |
| 195 | Q | 95.9 | Very high | 97.8 | Very high | 97 Ų | 97 | 24.7 Ų | 24.7 | 45% | 0.453 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -119.8 | -27.3 | 179.4 | -59.6 | -175.2 | 2.4 | 0 | 0 | 114.1 | T191 K509 | T191-Q195 HydrophobicContact CG2-CB 4.45Å; T191-Q195 HydrophobicContact CG2-CG 4.37Å; T191-Q195 WeakPolarHBondContact O-CB 3.37Å; T191-Q195 PolarHBondContact O-N 3.07Å; Q195-K509 VanDerWaalsContact O-CA 3.26Å; Q195-K509 WeakPolarHBondContact O-CA 3.36Å; Q195-K509 PolarHBondContact O-N 2.8Å |
| 196 | Y | 96.4 | Very high | 97.8 | Very high | 33 Ų | 33 | 23.6 Ų | 23.6 | 13% | 0.129 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -116.9 | -1.8 | -174 | -62.6 | -86.9 | 0 | 0 | 0 | 113.6 | I157 F163 T191 L192 N198 M368 L505 | I157-Y196 HydrophobicContact CD1-CE1 4.13Å; F163-Y196 HydrophobicContact CD2-CE2 4.41Å; F163-Y196 AromaticContact CE2-CD2 3.97Å; F163-Y196 HydrophobicContact CE2-CD2 3.97Å; F163-Y196 AromaticContact CE2-CE2 3.4Å; F163-Y196 HydrophobicContact CE2-CE2 3.4Å; F163-Y196 VanDerWaalsContact CE2-CE2 3.4Å; F163-Y196 AromaticContact CE2-CZ 4Å; F163-Y196 AromaticContact CZ-CD2 3.96Å; F163-Y196 HydrophobicContact CZ-CD2 3.96Å; F163-Y196 AromaticContact CZ-CE2 3.9Å; F163-Y196 HydrophobicContact CZ-CE2 3.9Å; T191-Y196 HydrophobicContact CG2-CD2 4.32Å; T191-Y196 HydrophobicContact CG2-CE2 3.96Å; T191-Y196 WeakPolarHBondContact O-CD2 3.21Å; L192-Y196 CarbonylContact O-C 3.58Å; L192-Y196 WeakPolarHBondContact O-CA 3.31Å; L192-Y196 WeakPolarHBondContact O-CB 3.38Å; L192-Y196 PolarHBondContact O-N 3.43Å; Y196-N198 PolarHBondContact O-N 3.3Å; Y196-N198 PolarHBondContact O-OD1 2.66Å; Y196-M368 HydrophobicContact CD1-CE 3.22Å; Y196-M368 HydrophobicContact CD1-SD 3.89Å; Y196-M368 HydrophobicContact CE1-CE 3.41Å; Y196-M368 VanDerWaalsContact CE1-CE 3.41Å; Y196-M368 HydrophobicContact CG-CE 3.91Å; Y196-M368 HydrophobicContact CG-SD 3.99Å; Y196-L505 HydrophobicContact CD1-CD2 4.02Å; Y196-L505 HydrophobicContact CE1-CD2 3.79Å |
| 197 | S | 96.3 | Very high | 97.8 | Very high | 36 Ų | 36 | 23.9 Ų | 23.9 | 25% | 0.252 | 12% | 0.119 | S | C | . | . | trans | 56.6 | 28.2 | -176.7 | -159.2 | 0 | 0 | 0 | 0 | 112.8 | L192 | L192-S197 PolarHBondContact O-N 2.94Å; L192-S197 VanDerWaalsContact O-N 3.11Å | ||
| 198 | N | 96.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 21.3 Ų | 21.3 | 10% | 0.102 | 11% | 0.109 | C | C | . | . | trans | -98.9 | 116.4 | 177.3 | -70.9 | -7.8 | 0 | 0 | 0 | 109.3 | L192 R193 Y196 M368 S371 | L192-N198 CarbonylContact C-O 3.51Å; L192-N198 VanDerWaalsContact C-O 3.27Å; L192-N198 HydrophobicContact CB-CB 4.22Å; L192-N198 HydrophobicContact CD2-CB 4.06Å; L192-N198 PolarHBondContact O-N 3.29Å; R193-N198 WeakPolarHBondContact CA-O 3.29Å; R193-N198 PolarHBondContact N-O 3.3Å; Y196-N198 PolarHBondContact O-N 3.3Å; Y196-N198 PolarHBondContact O-OD1 2.66Å; N198-M368 PolarHBondContact ND2-SD 3.05Å; N198-S371 PolarHBondContact ND2-OG 2.88Å; N198-S371 PolarHBondContact OD1-OG 3.17Å | ||
| 199 | S | 97.3 | Very high | 97.7 | Very high | 32 Ų | 32 | 21.3 Ų | 21.3 | 22% | 0.224 | 11% | 0.109 | C | C | . | . | trans | -89.8 | 121.7 | 170.7 | -64.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 200 | V | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.024 | 11% | 0.112 | C | C | . | . | trans | -132.7 | 127.1 | 179.5 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | L189 L192 I202 Y363 L364 R367 | L189-V200 HydrophobicContact CD2-CB 4.11Å; L189-V200 WeakPolarHBondContact CD2-O 2.72Å; L192-V200 HydrophobicContact CD1-CB 4.2Å; L192-V200 HydrophobicContact CD1-CG2 3.88Å; V200-I202 PolarHBondContact O-N 3.38Å; V200-Y363 HydrophobicContact CG1-CD1 4.03Å; V200-Y363 HydrophobicContact CG1-CE1 3.43Å; V200-Y363 VanDerWaalsContact CG1-CE1 3.43Å; V200-L364 HydrophobicContact CB-CD2 4.19Å; V200-L364 HydrophobicContact CG1-CD2 3.58Å; V200-R367 HydrophobicContact CG1-CB 4.25Å; V200-R367 HydrophobicContact CG1-CG 3.85Å; V200-R367 HydrophobicContact CG2-CB 3.56Å; V200-R367 HydrophobicContact CG2-CG 4.04Å | ||
| 201 | F | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 61 | -49 | -167.1 | -51.4 | -46.1 | 0 | 0 | 0 | 115.2 | L185 L189 A223 I279 Y344 L348 L352 I360 Y363 L364 | L185-F201 HydrophobicContact CD1-CE2 4.28Å; L189-F201 HydrophobicContact CD1-CD2 4.39Å; L189-F201 HydrophobicContact CD2-CD2 4.05Å; F201-A223 PolarHBondContact O-N 2.89Å; F201-I279 HydrophobicContact CD1-CD1 3.79Å; F201-I279 HydrophobicContact CE1-CD1 3.35Å; F201-I279 HydrophobicContact CZ-CD1 4.46Å; F201-Y344 VanDerWaalsContact O-CE1 3.31Å; F201-Y344 WeakPolarHBondContact O-CE1 3.35Å; F201-Y344 PolarHBondContact O-OH 3.02Å; F201-L348 HydrophobicContact CB-CD1 4.22Å; F201-L348 HydrophobicContact CB-CD2 3.69Å; F201-L348 HydrophobicContact CD1-CD1 3.87Å; F201-L348 HydrophobicContact CE1-CD1 4.47Å; F201-L348 HydrophobicContact CG-CD1 4.14Å; F201-L348 HydrophobicContact CG-CD2 4.4Å; F201-L352 HydrophobicContact CD2-CD1 4.05Å; F201-L352 HydrophobicContact CE1-CD2 4.28Å; F201-L352 HydrophobicContact CE2-CD1 4.02Å; F201-L352 HydrophobicContact CE2-CD2 3.98Å; F201-L352 HydrophobicContact CZ-CD2 3.74Å; F201-I360 HydrophobicContact CE2-CG2 4.24Å; F201-I360 HydrophobicContact CZ-CG2 4.49Å; F201-Y363 HydrophobicContact CD1-CD1 4.37Å; F201-Y363 AromaticContact CD1-CE1 3.68Å; F201-Y363 HydrophobicContact CD1-CE1 3.68Å; F201-Y363 AromaticContact CE1-CD1 3.35Å; F201-Y363 HydrophobicContact CE1-CD1 3.35Å; F201-Y363 AromaticContact CE1-CE1 3.01Å; F201-Y363 HydrophobicContact CE1-CE1 3.01Å; F201-Y363 HydrophobicContact CE1-CG 4.43Å; F201-Y363 AromaticContact CE1-CZ 3.93Å; F201-Y363 HydrophobicContact CE2-CD1 4.2Å; F201-Y363 HydrophobicContact CE2-CE1 4.37Å; F201-Y363 AromaticContact CZ-CD1 3.25Å; F201-Y363 HydrophobicContact CZ-CD1 3.25Å; F201-Y363 AromaticContact CZ-CE1 3.45Å; F201-Y363 HydrophobicContact CZ-CE1 3.45Å; F201-Y363 VanDerWaalsContact CZ-CE1 3.45Å; F201-Y363 HydrophobicContact CZ-CG 4.33Å; F201-L364 HydrophobicContact CD2-CD2 3.93Å; F201-L364 HydrophobicContact CE2-CD2 3.5Å; F201-L364 VanDerWaalsContact CE2-CD2 3.5Å; F201-L364 HydrophobicContact CE2-CG 4.2Å; F201-L364 HydrophobicContact CZ-CD2 4.21Å |
| 202 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.6 | -176 | -49.2 | 171.1 | 0 | 0 | 0 | 108.5 | L189 V200 L220 F310 W312 Y315 F345 F349 | L189-I202 HydrophobicContact CD1-CD1 4.15Å; V200-I202 PolarHBondContact O-N 3.38Å; I202-L220 HydrophobicContact CG2-CD2 3.6Å; I202-F310 HydrophobicContact CD1-CD1 4.34Å; I202-F310 HydrophobicContact CD1-CE1 3.66Å; I202-F310 HydrophobicContact CD1-CZ 3.76Å; I202-W312 HydrophobicContact CD1-CH2 4.29Å; I202-W312 HydrophobicContact CD1-CZ3 4Å; I202-W312 HydrophobicContact CG2-CZ3 4.35Å; I202-Y315 HydrophobicContact CD1-CE1 4.4Å; I202-Y315 HydrophobicContact CG2-CE1 4.14Å; I202-F345 HydrophobicContact CB-CE1 4.25Å; I202-F345 HydrophobicContact CG1-CD1 4.46Å; I202-F345 HydrophobicContact CG1-CE1 3.94Å; I202-F345 HydrophobicContact CG2-CE1 4.08Å; I202-F345 HydrophobicContact CG2-CZ 4.14Å; I202-F349 HydrophobicContact CD1-CZ 3.93Å |
| 203 | R | 98.6 | Very high | 97.3 | Very high | 113 Ų | 113 | 29.6 Ų | 29.6 | 43% | 0.426 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 105.7 | 165.6 | -175.5 | -173.4 | 176.1 | -155.1 | 0.4 | 108.2 | Y205 L220 D221 | R203-Y205 HydrophobicContact CG-CD1 3.95Å; R203-Y205 HydrophobicContact CG-CE1 4.38Å; R203-L220 WeakPolarHBondContact O-CA 3.28Å; R203-D221 HydrophobicContact CB-CB 4.28Å; R203-D221 PolarHBondContact N-O 3Å; R203-D221 PolarHBondContact O-N 3.33Å |
| 204 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.9 | 172.3 | 172.4 | 62.1 | 0 | 0 | 0 | 109.1 | R193 L218 K219 L220 Y315 I316 V319 F516 | R193-L204 PolarHBondContact NE-O 2.65Å; R193-L204 PolarHBondContact NH2-O 2.84Å; L204-L218 HydrophobicContact CD1-CB 4.46Å; L204-L218 HydrophobicContact CD1-CD2 4.07Å; L204-K219 WeakPolarHBondContact CA-O 3.46Å; L204-L220 HydrophobicContact CB-CD2 3.98Å; L204-L220 HydrophobicContact CD1-CD2 3.68Å; L204-L220 HydrophobicContact CD1-CG 4.29Å; L204-L220 HydrophobicContact CG-CD2 4.37Å; L204-Y315 HydrophobicContact CB-CE1 4.16Å; L204-Y315 HydrophobicContact CD2-CE1 3.88Å; L204-I316 HydrophobicContact CD2-CG1 4.03Å; L204-V319 HydrophobicContact CD2-CB 4.21Å; L204-V319 HydrophobicContact CD2-CG1 4.06Å; L204-V319 HydrophobicContact CD2-CG2 4.22Å; L204-F516 HydrophobicContact CD2-CZ 4.27Å; L204-F516 HydrophobicContact CG-CZ 4.39Å |
| 205 | Y | 98.5 | Very high | 97.2 | Very high | 35 Ų | 35 | 37 Ų | 37 | 14% | 0.137 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 163.5 | 176.5 | 63 | -76.7 | 0 | 0 | 0 | 111.9 | R203 A207 K219 D221 R340 D515 | R203-Y205 HydrophobicContact CG-CD1 3.95Å; R203-Y205 HydrophobicContact CG-CE1 4.38Å; Y205-A207 HydrophobicContact CD2-CB 3.91Å; Y205-A207 HydrophobicContact CE2-CB 3.71Å; Y205-K219 HydrophobicContact CD1-CB 4.22Å; Y205-K219 HydrophobicContact CD2-CB 4.38Å; Y205-K219 HydrophobicContact CE1-CB 3.75Å; Y205-K219 HydrophobicContact CE2-CB 3.94Å; Y205-K219 HydrophobicContact CE2-CD 4.02Å; Y205-K219 HydrophobicContact CE2-CG 4.28Å; Y205-K219 PolarHBondContact N-O 2.81Å; Y205-K219 PolarHBondContact O-N 3.02Å; Y205-D221 HydrophobicContact CE1-CB 4.23Å; Y205-R340 VanDerWaalsContact OH-CD 3.3Å; Y205-R340 WeakPolarHBondContact OH-CD 3.36Å; Y205-D515 WeakPolarHBondContact CA-OD2 3.46Å; Y205-D515 WeakPolarHBondContact CB-OD2 3.22Å |
| 206 | V | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.8 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | Y216 L218 D515 F516 W518 L519 | V206-Y216 HydrophobicContact CG1-CD1 4.05Å; V206-Y216 HydrophobicContact CG1-CG 4.2Å; V206-L218 HydrophobicContact CG2-CD2 3.71Å; V206-D515 HydrophobicContact CB-CB 4.31Å; V206-D515 WeakPolarHBondContact CB-O 3.11Å; V206-D515 PolarHBondContact N-OD2 2.86Å; V206-F516 HydrophobicContact CG2-CD1 3.6Å; V206-F516 HydrophobicContact CG2-CE1 4.02Å; V206-F516 HydrophobicContact CG2-CG 4.47Å; V206-W518 HydrophobicContact CG1-CB 4.12Å; V206-L519 HydrophobicContact CG1-CB 4.28Å; V206-L519 HydrophobicContact CG1-CD1 4.49Å; V206-L519 HydrophobicContact CG2-CB 4.22Å |
| 207 | A | 97.1 | Very high | 97.4 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 22% | 0.215 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 169 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y205 D209 Y216 I217 K219 | Y205-A207 HydrophobicContact CD2-CB 3.91Å; Y205-A207 HydrophobicContact CE2-CB 3.71Å; A207-D209 PolarHBondContact O-N 2.9Å; A207-Y216 WeakPolarHBondContact O-CA 3.46Å; A207-I217 PolarHBondContact N-O 2.97Å; A207-I217 VanDerWaalsContact N-O 3.16Å; A207-I217 PolarHBondContact O-N 3.39Å; A207-K219 HydrophobicContact CB-CD 4.21Å |
| 208 | A | 96.9 | Very high | 97.6 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 136.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D210 Q215 K219 V523 | A208-D210 PolarHBondContact O-N 2.95Å; A208-Q215 CarbonylContact C-O 3.56Å; A208-Q215 VanDerWaalsContact CA-O 3.3Å; A208-Q215 WeakPolarHBondContact CA-O 3.39Å; A208-K219 WeakPolarHBondContact O-CE 3.39Å; A208-K219 PolarHBondContact O-NZ 3.44Å; A208-V523 HydrophobicContact CB-CG2 3.92Å |
| 209 | D | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -62.7 | 128.3 | 170.9 | -175.7 | -42.2 | 0 | 0 | 0 | 108.3 | A207 K211 I212 S213 Q215 I217 Y295 K297 | A207-D209 PolarHBondContact O-N 2.9Å; D209-K211 PolarHBondContact O-N 3.14Å; D209-K211 PolarHBondContact OD1-N 3.26Å; D209-I212 HydrophobicContact CB-CB 4.09Å; D209-I212 WeakPolarHBondContact CB-O 2.94Å; D209-I212 CarbonylContact O-C 3.27Å; D209-I212 VanDerWaalsContact O-C 3.29Å; D209-I212 PolarHBondContact O-N 3.21Å; D209-I212 PolarHBondContact OD1-N 2.97Å; D209-S213 VanDerWaalsContact O-CA 3.25Å; D209-S213 WeakPolarHBondContact O-CA 3.45Å; D209-S213 PolarHBondContact O-N 2.89Å; D209-Q215 PolarHBondContact N-O 2.81Å; D209-I217 HydrophobicContact CB-CB 4.21Å; D209-I217 HydrophobicContact CB-CG2 3.7Å; D209-Y295 VanDerWaalsContact OD1-CE2 3.26Å; D209-Y295 WeakPolarHBondContact OD1-CE2 3.33Å; D209-Y295 PolarHBondContact OD1-OH 2.98Å; D209-Y295 PolarHBondContact OD2-OH 3.47Å; D209-K297 IonicContact OD2-NZ 3.92Å; D209-K297 PolarHBondContact OD2-NZ 3.01Å | ||
| 210 | D | 95.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -65.2 | -30.8 | -172.8 | -57.9 | -64.2 | 0 | 0 | 0 | 111.5 | A208 K219 Y295 R340 Y591 N596 L597 | A208-D210 PolarHBondContact O-N 2.95Å; D210-K219 IonicContact OD1-NZ 3.61Å; D210-K219 PolarHBondContact OD1-NZ 3.18Å; D210-K219 IonicContact OD2-NZ 3.75Å; D210-K219 PolarHBondContact OD2-NZ 3.03Å; D210-Y295 HydrophobicContact CB-CD2 3.79Å; D210-Y295 HydrophobicContact CB-CE2 4.04Å; D210-R340 IonicContact OD2-NH1 2.77Å; D210-Y591 HydrophobicContact CB-CE1 4.3Å; D210-Y591 PolarHBondContact OD1-OH 2.98Å; D210-N596 CarbonylContact O-C 3.58Å; D210-L597 HydrophobicContact CB-CB 4.16Å; D210-L597 HydrophobicContact CB-CD2 4.22Å; D210-L597 WeakPolarHBondContact O-CB 3.48Å; D210-L597 PolarHBondContact O-N 3.09Å |
| 211 | K | 97.3 | Very high | 97.8 | Very high | 109 Ų | 109 | 29.4 Ų | 29.4 | 47% | 0.474 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -95.5 | -19.5 | 177.2 | -66.8 | -166 | 176.9 | -172.9 | 0 | 113.9 | D209 Y295 N596 L597 | D209-K211 PolarHBondContact O-N 3.14Å; D209-K211 PolarHBondContact OD1-N 3.26Å; K211-Y295 HydrophobicContact CB-CE1 4.44Å; K211-Y295 HydrophobicContact CB-CE2 4.09Å; K211-Y295 HydrophobicContact CD-CD1 3.93Å; K211-Y295 HydrophobicContact CD-CE1 3.46Å; K211-Y295 VanDerWaalsContact CD-CE1 3.46Å; K211-Y295 HydrophobicContact CD-CE2 4.38Å; K211-Y295 HydrophobicContact CG-CD1 4.2Å; K211-Y295 HydrophobicContact CG-CD2 4.21Å; K211-Y295 HydrophobicContact CG-CE1 3.78Å; K211-Y295 HydrophobicContact CG-CE2 3.75Å; K211-Y295 HydrophobicContact CG-CG 4.39Å; K211-N596 PolarHBondContact O-OD1 3.36Å; K211-L597 HydrophobicContact CG-CB 4.15Å |
| 212 | I | 96.8 | Very high | 97.7 | Very high | 61 Ų | 61 | 30.2 Ų | 30.2 | 31% | 0.313 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -125.8 | 68.2 | -178.9 | -51.9 | 176.9 | 0 | 0 | 0 | 107.8 | D209 N214 Q215 | D209-I212 HydrophobicContact CB-CB 4.09Å; D209-I212 WeakPolarHBondContact CB-O 2.94Å; D209-I212 CarbonylContact O-C 3.27Å; D209-I212 VanDerWaalsContact O-C 3.29Å; D209-I212 PolarHBondContact O-N 3.21Å; D209-I212 PolarHBondContact OD1-N 2.97Å; I212-N214 WeakPolarHBondContact CG2-OD1 3.37Å; I212-N214 PolarHBondContact O-N 3.4Å; I212-Q215 HydrophobicContact CG2-CB 4.16Å; I212-Q215 HydrophobicContact CG2-CG 3.92Å; I212-Q215 PolarHBondContact O-N 3.02Å |
| 213 | S | 95.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -3.6 | -164.2 | 65.8 | 0 | 0 | 0 | 0 | 115.4 | D209 V523 K525 N594 G595 N596 | D209-S213 VanDerWaalsContact O-CA 3.25Å; D209-S213 WeakPolarHBondContact O-CA 3.45Å; D209-S213 PolarHBondContact O-N 2.89Å; S213-V523 WeakPolarHBondContact O-CB 3.42Å; S213-V523 WeakPolarHBondContact O-CG2 3.39Å; S213-K525 VanDerWaalsContact CB-NZ 3.29Å; S213-K525 VanDerWaalsContact O-CE 3.25Å; S213-K525 WeakPolarHBondContact O-CE 3.45Å; S213-K525 PolarHBondContact O-NZ 2.81Å; S213-K525 PolarHBondContact OG-NZ 3.41Å; S213-N594 PolarHBondContact OG-O 2.9Å; S213-N594 VanDerWaalsContact OG-O 3.09Å; S213-G595 WeakPolarHBondContact CB-O 3.35Å; S213-G595 PolarHBondContact OG-O 3.47Å; S213-N596 VanDerWaalsContact CB-OD1 3.29Å; S213-N596 WeakPolarHBondContact CB-OD1 3.39Å; S213-N596 PolarHBondContact N-OD1 3.47Å; S213-N596 PolarHBondContact OG-OD1 2.91Å |
| 214 | N | 96 | Very high | 97.6 | Very high | 74 Ų | 74 | 28.8 Ų | 28.8 | 40% | 0.396 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.5 | 170.1 | 63.9 | -22.8 | 0 | 0 | 0 | 113.2 | I212 E522 V523 | I212-N214 WeakPolarHBondContact CG2-OD1 3.37Å; I212-N214 PolarHBondContact O-N 3.4Å; N214-E522 WeakPolarHBondContact O-CA 3.24Å; N214-V523 PolarHBondContact O-N 3.44Å |
| 215 | Q | 97.1 | Very high | 97.4 | Very high | 98 Ų | 98 | 29.6 Ų | 29.6 | 46% | 0.458 | 16% | 0.155 | S | C | . | . | B | Isolated β-bridge | trans | -118.3 | 149.2 | -178.8 | -65.7 | -179.9 | 2.6 | 0 | 0 | 111.8 | A208 D209 I212 | A208-Q215 CarbonylContact C-O 3.56Å; A208-Q215 VanDerWaalsContact CA-O 3.3Å; A208-Q215 WeakPolarHBondContact CA-O 3.39Å; D209-Q215 PolarHBondContact N-O 2.81Å; I212-Q215 HydrophobicContact CG2-CB 4.16Å; I212-Q215 HydrophobicContact CG2-CG 3.92Å; I212-Q215 PolarHBondContact O-N 3.02Å |
| 216 | Y | 98.1 | Very high | 97.3 | Very high | 38 Ų | 38 | 28.2 Ų | 28.2 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 143.5 | 169 | -70.9 | -78.7 | 0 | 0 | 0 | 111.6 | V206 A207 W518 K521 V523 | V206-Y216 HydrophobicContact CG1-CD1 4.05Å; V206-Y216 HydrophobicContact CG1-CG 4.2Å; A207-Y216 WeakPolarHBondContact O-CA 3.46Å; Y216-W518 WeakPolarHBondContact CB-O 3.49Å; Y216-W518 HydrophobicContact CD1-CB 3.85Å; Y216-W518 HydrophobicContact CD2-CB 3.75Å; Y216-W518 WeakPolarHBondContact CD2-O 3.47Å; Y216-W518 HydrophobicContact CE1-CB 3.92Å; Y216-W518 HydrophobicContact CE1-CG 4.24Å; Y216-W518 HydrophobicContact CE2-CB 3.78Å; Y216-W518 HydrophobicContact CE2-CD2 4.13Å; Y216-W518 AromaticContact CE2-CE3 3.69Å; Y216-W518 HydrophobicContact CE2-CE3 3.69Å; Y216-W518 HydrophobicContact CE2-CG 4.21Å; Y216-W518 HydrophobicContact CG-CB 3.78Å; Y216-W518 AromaticContact CZ-CD2 3.99Å; Y216-W518 AromaticContact CZ-CE3 3.88Å; Y216-W518 AromaticContact CZ-CG 4Å; Y216-K521 HydrophobicContact CD2-CB 4.45Å; Y216-K521 WeakPolarHBondContact CD2-O 3.5Å; Y216-V523 HydrophobicContact CD1-CG2 4.23Å; Y216-V523 HydrophobicContact CD2-CG2 3.85Å; Y216-V523 HydrophobicContact CE1-CG2 4.02Å; Y216-V523 HydrophobicContact CE2-CB 4.2Å; Y216-V523 HydrophobicContact CE2-CG2 3.65Å; Y216-V523 HydrophobicContact CG-CG2 4.14Å |
| 217 | I | 98.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 5% | 0.051 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 152.5 | 178.5 | -168.5 | 160.9 | 0 | 0 | 0 | 110.7 | A207 D209 K219 K297 N336 I338 | A207-I217 PolarHBondContact N-O 2.97Å; A207-I217 VanDerWaalsContact N-O 3.16Å; A207-I217 PolarHBondContact O-N 3.39Å; D209-I217 HydrophobicContact CB-CB 4.21Å; D209-I217 HydrophobicContact CB-CG2 3.7Å; I217-K219 HydrophobicContact CG2-CG 4.27Å; I217-K297 HydrophobicContact CD1-CD 4.18Å; I217-K297 HydrophobicContact CD1-CG 4.4Å; I217-N336 HydrophobicContact CD1-CB 4.09Å; I217-I338 HydrophobicContact CD1-CD1 4.28Å; I217-I338 HydrophobicContact CD1-CG1 3.93Å; I217-I338 HydrophobicContact CG1-CG1 4.47Å; I217-I338 HydrophobicContact CG2-CD1 3.6Å; I217-I338 HydrophobicContact CG2-CG1 4.13Å |
| 218 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 132 | 170.3 | -67.9 | 167.7 | 0 | 0 | 0 | 109.9 | L204 V206 I316 E335 V337 I338 F516 L519 | L204-L218 HydrophobicContact CD1-CB 4.46Å; L204-L218 HydrophobicContact CD1-CD2 4.07Å; V206-L218 HydrophobicContact CG2-CD2 3.71Å; L218-I316 HydrophobicContact CD1-CG2 4.16Å; L218-E335 HydrophobicContact CD1-CG 3.96Å; L218-V337 HydrophobicContact CB-CG1 3.97Å; L218-V337 HydrophobicContact CD1-CG1 4.24Å; L218-V337 WeakPolarHBondContact O-CA 3.36Å; L218-I338 PolarHBondContact O-N 3.36Å; L218-F516 HydrophobicContact CD2-CD1 4.18Å; L218-F516 HydrophobicContact CD2-CE1 3.79Å; L218-L519 HydrophobicContact CD1-CD2 4.3Å; L218-L519 HydrophobicContact CD2-CD2 4.12Å; L218-L519 HydrophobicContact CG-CD1 4.37Å; L218-L519 HydrophobicContact CG-CD2 4.06Å |
| 219 | K | 98.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.9 | 175.3 | -56.2 | -160.2 | -177.4 | -173.7 | 0 | 110.6 | L204 Y205 A207 A208 D210 I217 I338 | L204-K219 WeakPolarHBondContact CA-O 3.46Å; Y205-K219 HydrophobicContact CD1-CB 4.22Å; Y205-K219 HydrophobicContact CD2-CB 4.38Å; Y205-K219 HydrophobicContact CE1-CB 3.75Å; Y205-K219 HydrophobicContact CE2-CB 3.94Å; Y205-K219 HydrophobicContact CE2-CD 4.02Å; Y205-K219 HydrophobicContact CE2-CG 4.28Å; Y205-K219 PolarHBondContact N-O 2.81Å; Y205-K219 PolarHBondContact O-N 3.02Å; A207-K219 HydrophobicContact CB-CD 4.21Å; A208-K219 WeakPolarHBondContact O-CE 3.39Å; A208-K219 PolarHBondContact O-NZ 3.44Å; D210-K219 IonicContact OD1-NZ 3.61Å; D210-K219 PolarHBondContact OD1-NZ 3.18Å; D210-K219 IonicContact OD2-NZ 3.75Å; D210-K219 PolarHBondContact OD2-NZ 3.03Å; I217-K219 HydrophobicContact CG2-CG 4.27Å; K219-I338 WeakPolarHBondContact CA-O 3.23Å; K219-I338 HydrophobicContact CG-CB 4.24Å |
| 220 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126 | 176 | -69.8 | 168.2 | 0 | 0 | 0 | 109.5 | I202 R203 L204 L303 W312 I338 V339 R340 F345 | I202-L220 HydrophobicContact CG2-CD2 3.6Å; R203-L220 WeakPolarHBondContact O-CA 3.28Å; L204-L220 HydrophobicContact CB-CD2 3.98Å; L204-L220 HydrophobicContact CD1-CD2 3.68Å; L204-L220 HydrophobicContact CD1-CG 4.29Å; L204-L220 HydrophobicContact CG-CD2 4.37Å; L220-L303 HydrophobicContact CD1-CD2 3.5Å; L220-L303 VanDerWaalsContact CD1-CD2 3.5Å; L220-W312 HydrophobicContact CD1-CE3 3.87Å; L220-W312 HydrophobicContact CD1-CZ3 3.77Å; L220-W312 HydrophobicContact CD2-CZ3 4.21Å; L220-I338 PolarHBondContact N-O 3.3Å; L220-V339 HydrophobicContact CD1-CG2 4.4Å; L220-R340 WeakPolarHBondContact O-CB 3.43Å; L220-R340 PolarHBondContact O-N 2.92Å; L220-F345 HydrophobicContact CB-CE2 3.87Å; L220-F345 HydrophobicContact CB-CZ 4.07Å |
| 221 | D | 98.7 | Very high | 96.5 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 166.8 | -177.8 | -157.4 | -2.7 | 0 | 0 | 0 | 112 | R203 Y205 R289 R340 F345 | R203-D221 HydrophobicContact CB-CB 4.28Å; R203-D221 PolarHBondContact N-O 3Å; R203-D221 PolarHBondContact O-N 3.33Å; Y205-D221 HydrophobicContact CE1-CB 4.23Å; D221-R289 IonicContact OD1-CZ 3.43Å; D221-R289 IonicContact OD1-NH1 3.45Å; D221-R289 PolarHBondContact OD1-NH1 2.78Å; D221-R289 IonicContact OD1-NH2 3.85Å; D221-R289 PolarHBondContact OD1-NH2 3.5Å; D221-R289 IonicContact OD2-CZ 2.78Å; D221-R289 IonicContact OD2-NH2 2.64Å; D221-R289 PolarHBondContact OD2-NH2 3.36Å; D221-R340 HydrophobicContact CB-CB 4.28Å; D221-R340 IonicContact OD2-NE 2.67Å; D221-F345 WeakPolarHBondContact O-CZ 3.36Å |
| 222 | Q | 97.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 28 Ų | 28 | 9% | 0.093 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 134.2 | 171 | 65 | -164 | 62.2 | 0 | 0 | 109.7 | M283 I284 V341 Y344 | Q222-M283 HydrophobicContact CG-CE 4.17Å; Q222-I284 PolarHBondContact NE2-O 3.32Å; Q222-I284 VanDerWaalsContact OE1-N 3.12Å; Q222-V341 HydrophobicContact CB-CG2 4.04Å; Q222-V341 VanDerWaalsContact N-CG2 3.3Å; Q222-Y344 HydrophobicContact CB-CD1 3.72Å; Q222-Y344 HydrophobicContact CB-CD2 4.18Å; Q222-Y344 HydrophobicContact CB-CE1 3.55Å; Q222-Y344 HydrophobicContact CB-CE2 4.02Å; Q222-Y344 HydrophobicContact CB-CG 4.03Å |
| 223 | A | 97.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 162.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | F201 | F201-A223 PolarHBondContact O-N 2.89Š|
| 224 | S | 95.9 | Very high | 96.6 | Very high | 79 Ų | 79 | 28.2 Ų | 28.2 | 55% | 0.552 | 15% | 0.154 | S | C | * | . | P | Polyproline II helix | trans | -73.1 | 159.6 | 172.8 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | R367 | S224-R367 PolarHBondContact O-NH2 2.96Å; S224-R367 PolarHBondContact OG-NH2 2.94Å |
| 225 | L | 96.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | trans | -91.3 | -177.2 | 173.1 | -55 | -180 | 0 | 0 | 0 | 111.3 | Y233 E276 I279 A280 M283 R367 | L225-Y233 HydrophobicContact CB-CE2 3.78Å; L225-Y233 HydrophobicContact CD1-CD2 3.64Å; L225-Y233 HydrophobicContact CD1-CE2 3.39Å; L225-Y233 HydrophobicContact CG-CE2 4.22Å; L225-E276 WeakPolarHBondContact CA-OE1 3.41Å; L225-E276 HydrophobicContact CB-CG 4.38Å; L225-E276 HydrophobicContact CD2-CG 3.86Å; L225-I279 HydrophobicContact CD2-CB 4.45Å; L225-I279 HydrophobicContact CD2-CG2 3.91Å; L225-A280 HydrophobicContact CD1-CB 3.66Å; L225-M283 HydrophobicContact CD1-SD 3.57Å; L225-M283 VanDerWaalsContact CD1-SD 3.57Å; L225-M283 HydrophobicContact CD2-SD 3.61Å; L225-M283 HydrophobicContact CG-CE 4.3Å; L225-M283 HydrophobicContact CG-SD 3.47Å; L225-M283 WeakPolarHBondContact CG-SD 3.45Å; L225-R367 PolarHBondContact O-NH1 3.05Å; L225-R367 PolarHBondContact O-NH2 3.21Å | ||
| 226 | S | 95.2 | Very high | 96.5 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -80.1 | -46.4 | 175.9 | -90.7 | 0 | 0 | 0 | 0 | 113.3 | Y233 F247 E276 W366 R367 Y370 | S226-Y233 PolarHBondContact N-OH 3.33Å; S226-F247 VanDerWaalsContact CB-CE2 3.4Å; S226-E276 WeakPolarHBondContact CB-OE1 3.28Å; S226-E276 PolarHBondContact N-OE1 3.11Å; S226-W366 PolarHBondContact OG-NE1 3.35Å; S226-W366 VanDerWaalsContact OG-NE1 3.08Å; S226-R367 PolarHBondContact OG-NH1 2.67Å; S226-Y370 PolarHBondContact O-OH 2.95Å |
| 227 | L | 95.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -76.1 | 143.6 | 162.4 | -60.3 | 168.6 | 0 | 0 | 0 | 108.7 | D232 Y233 R244 F247 F387 I391 | L227-D232 HydrophobicContact CD1-CB 4.35Å; L227-Y233 HydrophobicContact CB-CD2 4.34Å; L227-Y233 HydrophobicContact CB-CE2 3.51Å; L227-Y233 HydrophobicContact CD1-CD1 4.43Å; L227-Y233 HydrophobicContact CD1-CD2 4.42Å; L227-Y233 HydrophobicContact CD1-CE1 4.06Å; L227-Y233 HydrophobicContact CD1-CE2 4.06Å; L227-Y233 HydrophobicContact CG-CE2 4.13Å; L227-Y233 PolarHBondContact N-OH 3.33Å; L227-R244 HydrophobicContact CD1-CG 4.44Å; L227-F247 HydrophobicContact CD1-CB 4.44Å; L227-F247 HydrophobicContact CD1-CD1 4.31Å; L227-F247 HydrophobicContact CD2-CB 4.14Å; L227-F247 HydrophobicContact CD2-CG 4.28Å; L227-F247 HydrophobicContact CG-CB 4.39Å; L227-F247 HydrophobicContact CG-CD1 4.21Å; L227-F247 HydrophobicContact CG-CG 4.19Å; L227-F387 HydrophobicContact CD2-CE2 4.2Å; L227-F387 HydrophobicContact CD2-CZ 3.66Å; L227-I391 HydrophobicContact CD2-CG2 4.41Å |
| 228 | A | 91 | Very high | 96.2 | Very high | 63 Ų | 63 | 33.9 Ų | 33.9 | 52% | 0.521 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -69.8 | -38.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E701 I705 | A228-E701 VanDerWaalsContact CB-OE1 3.27Å; A228-E701 WeakPolarHBondContact CB-OE1 3.26Å; A228-I705 HydrophobicContact CB-CD1 3.88Å |
| 229 | S | 93.6 | Very high | 96 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | trans | -92.6 | 133.7 | -180 | 169 | 0 | 0 | 0 | 0 | 112 | E231 D232 Y233 H704 | S229-E231 VanDerWaalsContact C-N 3.3Å; S229-E231 WeakPolarHBondContact OG-CB 3.5Å; S229-E231 PolarHBondContact OG-N 3.38Å; S229-E231 PolarHBondContact OG-OE2 3.05Å; S229-D232 WeakPolarHBondContact CB-OD2 3.46Å; S229-D232 PolarHBondContact OG-N 3.47Å; S229-Y233 WeakPolarHBondContact O-CD2 3.29Å; S229-H704 WeakPolarHBondContact OG-CB 2.98Å | ||
| 230 | R | 95.3 | Very high | 95.9 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 25% | 0.249 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -63.9 | -39.9 | 168.2 | 177.3 | -175.7 | 176.2 | -88.6 | -2.8 | 110.7 | D232 Y233 L234 A280 E281 M283 | R230-D232 VanDerWaalsContact C-N 3.27Å; R230-D232 PolarHBondContact O-N 3.4Å; R230-Y233 WeakPolarHBondContact O-CB 3.47Å; R230-Y233 PolarHBondContact O-N 2.8Å; R230-L234 HydrophobicContact CG-CD1 3.87Å; R230-L234 VanDerWaalsContact NH1-CD1 3.29Å; R230-L234 VanDerWaalsContact NH2-CD1 3.35Å; R230-L234 WeakPolarHBondContact O-CG 3.29Å; R230-A280 HydrophobicContact CG-CB 4.29Å; R230-A280 PolarHBondContact NE-O 2.81Å; R230-A280 PolarHBondContact NH2-O 3.05Å; R230-E281 PolarHBondContact NH2-O 3.31Å; R230-M283 PolarHBondContact NE-O 3.15Å |
| 231 | E | 95.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -35.4 | -178.6 | -65.3 | 79.8 | 177.2 | 0 | 0 | 112.3 | S229 Y233 L234 E235 K633 H704 | S229-E231 VanDerWaalsContact C-N 3.3Å; S229-E231 WeakPolarHBondContact OG-CB 3.5Å; S229-E231 PolarHBondContact OG-N 3.38Å; S229-E231 PolarHBondContact OG-OE2 3.05Å; E231-Y233 PolarHBondContact O-N 2.9Å; E231-Y233 VanDerWaalsContact O-N 3.12Å; E231-L234 PolarHBondContact O-N 3.17Å; E231-E235 HydrophobicContact CB-CG 4.09Å; E231-E235 WeakPolarHBondContact CB-OE1 3.44Å; E231-E235 WeakPolarHBondContact O-CB 3.3Å; E231-E235 WeakPolarHBondContact O-CG 3.49Å; E231-E235 PolarHBondContact O-N 2.75Å; E231-K633 IonicContact OE1-NZ 3.75Å; E231-K633 PolarHBondContact OE1-NZ 3.26Å; E231-H704 WeakPolarHBondContact CB-ND1 3.36Å; E231-H704 WeakPolarHBondContact CG-ND1 3.29Å; E231-H704 IonicContact OE2-ND1 3.56Å |
| 232 | D | 95.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.059 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -14.3 | 176 | -68.4 | -31.9 | 0 | 0 | 0 | 113.4 | L227 S229 R230 Y243 R244 R700 | L227-D232 HydrophobicContact CD1-CB 4.35Å; S229-D232 WeakPolarHBondContact CB-OD2 3.46Å; S229-D232 PolarHBondContact OG-N 3.47Å; R230-D232 VanDerWaalsContact C-N 3.27Å; R230-D232 PolarHBondContact O-N 3.4Å; D232-Y243 HydrophobicContact CB-CD2 4.2Å; D232-R244 WeakPolarHBondContact O-CG 3.29Å; D232-R244 PolarHBondContact O-NH1 3.5Å; D232-R700 IonicContact OD1-NE 3.81Å; D232-R700 IonicContact OD1-NH2 2.84Å |
| 233 | Y | 97.8 | Very high | 95.7 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -85.7 | -29.4 | 168.3 | -70.1 | -86.1 | 0 | 0 | 0 | 113.6 | L225 S226 L227 S229 R230 E231 R244 F247 L273 E276 V277 A280 | L225-Y233 HydrophobicContact CB-CE2 3.78Å; L225-Y233 HydrophobicContact CD1-CD2 3.64Å; L225-Y233 HydrophobicContact CD1-CE2 3.39Å; L225-Y233 HydrophobicContact CG-CE2 4.22Å; S226-Y233 PolarHBondContact N-OH 3.33Å; L227-Y233 HydrophobicContact CB-CD2 4.34Å; L227-Y233 HydrophobicContact CB-CE2 3.51Å; L227-Y233 HydrophobicContact CD1-CD1 4.43Å; L227-Y233 HydrophobicContact CD1-CD2 4.42Å; L227-Y233 HydrophobicContact CD1-CE1 4.06Å; L227-Y233 HydrophobicContact CD1-CE2 4.06Å; L227-Y233 HydrophobicContact CG-CE2 4.13Å; L227-Y233 PolarHBondContact N-OH 3.33Å; S229-Y233 WeakPolarHBondContact O-CD2 3.29Å; R230-Y233 WeakPolarHBondContact O-CB 3.47Å; R230-Y233 PolarHBondContact O-N 2.8Å; E231-Y233 PolarHBondContact O-N 2.9Å; E231-Y233 VanDerWaalsContact O-N 3.12Å; Y233-R244 PolarHBondContact O-NH1 3.05Å; Y233-F247 HydrophobicContact CE1-CE1 4.42Å; Y233-L273 HydrophobicContact CD1-CD1 4.37Å; Y233-L273 HydrophobicContact CE1-CD1 4.05Å; Y233-E276 HydrophobicContact CE1-CB 4.17Å; Y233-E276 HydrophobicContact CE1-CG 3.89Å; Y233-E276 PolarHBondContact OH-OE1 3.06Å; Y233-E276 PolarHBondContact OH-OE2 2.76Å; Y233-V277 HydrophobicContact CD1-CG2 3.85Å; Y233-A280 HydrophobicContact CD2-CB 4.07Å; Y233-A280 HydrophobicContact CG-CB 3.9Å |
| 234 | L | 96.8 | Very high | 95.7 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 31% | 0.314 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -109.4 | -30 | -163 | -57.1 | -178.6 | 0 | 0 | 0 | 113.4 | R230 E231 A280 E281 | R230-L234 HydrophobicContact CG-CD1 3.87Å; R230-L234 VanDerWaalsContact NH1-CD1 3.29Å; R230-L234 VanDerWaalsContact NH2-CD1 3.35Å; R230-L234 WeakPolarHBondContact O-CG 3.29Å; E231-L234 PolarHBondContact O-N 3.17Å; L234-A280 HydrophobicContact CD2-CB 4.14Å; L234-A280 HydrophobicContact CG-CB 4.41Å; L234-E281 HydrophobicContact CD2-CB 4.46Å; L234-E281 HydrophobicContact CD2-CG 3.54Å |
| 235 | E | 95.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 27% | 0.266 | 25% | 0.25 | S | S | . | . | trans | -73.7 | 146.4 | -178.4 | -70.1 | -176.7 | -176.4 | 0 | 0 | 111.5 | E231 T237 A240 R244 R700 H704 | E231-E235 HydrophobicContact CB-CG 4.09Å; E231-E235 WeakPolarHBondContact CB-OE1 3.44Å; E231-E235 WeakPolarHBondContact O-CB 3.3Å; E231-E235 WeakPolarHBondContact O-CG 3.49Å; E231-E235 PolarHBondContact O-N 2.75Å; E235-T237 VanDerWaalsContact C-N 3.34Å; E235-T237 HydrophobicContact CB-CG2 4.36Å; E235-A240 HydrophobicContact CB-CB 4.02Å; E235-A240 WeakPolarHBondContact O-CB 3.43Å; E235-R244 PolarHBondContact O-NH1 3.32Å; E235-R244 PolarHBondContact O-NH2 2.82Å; E235-R700 IonicContact OE2-CZ 3.68Å; E235-R700 IonicContact OE2-NH1 2.62Å; E235-R700 IonicContact OE2-NH2 3.11Å; E235-R700 PolarHBondContact OE2-NH2 3.36Å; E235-H704 IonicContact OE1-CE1 2.74Å; E235-H704 PolarHBondContact OE1-CE1 2.78Å; E235-H704 IonicContact OE2-CE1 3.41Å | ||
| 236 | N | 95.4 | Very high | 95.9 | Very high | 126 Ų | 126 | 46.8 Ų | 46.8 | 67% | 0.674 | 25% | 0.254 | S | S | * | . | trans | -95.7 | 13.2 | -179.7 | -159.6 | 28 | 0 | 0 | 0 | 112.9 | K241 | N236-K241 WeakPolarHBondContact O-CE 3.38Å; N236-K241 PolarHBondContact O-NZ 3.01Å; N236-K241 WeakPolarHBondContact OD1-CE 3.49Å; N236-K241 PolarHBondContact OD1-NZ 3.32Å | ||
| 237 | T | 94.8 | Very high | 96.1 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -64.6 | 158.6 | 177.4 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | E235 E239 A240 K241 R700 | E235-T237 VanDerWaalsContact C-N 3.34Å; E235-T237 HydrophobicContact CB-CG2 4.36Å; T237-E239 VanDerWaalsContact C-N 3.28Å; T237-E239 PolarHBondContact O-N 3.19Å; T237-A240 PolarHBondContact O-N 3.13Å; T237-A240 WeakPolarHBondContact OG1-CB 3.43Å; T237-A240 PolarHBondContact OG1-N 3.31Å; T237-K241 WeakPolarHBondContact O-CG 3.37Å; T237-K241 PolarHBondContact O-N 2.81Å; T237-K241 VanDerWaalsContact O-N 3.12Å; T237-R700 PolarHBondContact OG1-NH2 3.45Å |
| 238 | T | 95.4 | Very high | 96.3 | Very high | 111 Ų | 111 | 47.1 Ų | 47.1 | 68% | 0.681 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.7 | -42.8 | 177.4 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | K241 S242 | T238-K241 PolarHBondContact O-N 2.84Å; T238-S242 WeakPolarHBondContact O-CB 3.49Å; T238-S242 PolarHBondContact O-N 3.2Å |
| 239 | E | 94.8 | Very high | 96.6 | Very high | 90 Ų | 90 | 48 Ų | 48 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -50.9 | -179.9 | -63.1 | 69.7 | -153.2 | 0 | 0 | 111 | T237 K241 S242 Y243 | T237-E239 VanDerWaalsContact C-N 3.28Å; T237-E239 PolarHBondContact O-N 3.19Å; E239-K241 VanDerWaalsContact C-N 3.29Å; E239-K241 PolarHBondContact O-N 3.44Å; E239-S242 WeakPolarHBondContact O-CB 3.3Å; E239-S242 PolarHBondContact O-N 2.92Å; E239-S242 VanDerWaalsContact O-N 3.1Å; E239-Y243 WeakPolarHBondContact O-CD1 3.41Å; E239-Y243 VanDerWaalsContact O-CG 3.23Å; E239-Y243 PolarHBondContact O-N 3Å |
| 240 | A | 96.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -36.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E235 T237 Y243 R244 | E235-A240 HydrophobicContact CB-CB 4.02Å; E235-A240 WeakPolarHBondContact O-CB 3.43Å; T237-A240 PolarHBondContact O-N 3.13Å; T237-A240 WeakPolarHBondContact OG1-CB 3.43Å; T237-A240 PolarHBondContact OG1-N 3.31Å; A240-Y243 PolarHBondContact O-N 3.1Å; A240-R244 WeakPolarHBondContact O-CG 3.27Å; A240-R244 PolarHBondContact O-N 3.09Å; A240-R244 VanDerWaalsContact O-N 3.12Å; A240-R244 PolarHBondContact O-NH1 3.11Å |
| 241 | K | 96.9 | Very high | 97 | Very high | 84 Ų | 84 | 44.7 Ų | 44.7 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.4 | -50.7 | 171.6 | -73.6 | 173.8 | -178.3 | 165.5 | 0 | 111.7 | N236 T237 T238 E239 Y243 R244 D245 | N236-K241 WeakPolarHBondContact O-CE 3.38Å; N236-K241 PolarHBondContact O-NZ 3.01Å; N236-K241 WeakPolarHBondContact OD1-CE 3.49Å; N236-K241 PolarHBondContact OD1-NZ 3.32Å; T237-K241 WeakPolarHBondContact O-CG 3.37Å; T237-K241 PolarHBondContact O-N 2.81Å; T237-K241 VanDerWaalsContact O-N 3.12Å; T238-K241 PolarHBondContact O-N 2.84Å; E239-K241 VanDerWaalsContact C-N 3.29Å; E239-K241 PolarHBondContact O-N 3.44Å; K241-Y243 PolarHBondContact O-N 2.95Å; K241-R244 VanDerWaalsContact CG-NH2 3.3Å; K241-R244 PolarHBondContact O-N 2.86Å; K241-R244 VanDerWaalsContact O-N 3.14Å; K241-D245 VanDerWaalsContact O-CG 3.31Å; K241-D245 PolarHBondContact O-N 3.33Å |
| 242 | S | 97.3 | Very high | 97.2 | Very high | 55 Ų | 55 | 44 Ų | 44 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.4 | -38 | 178.3 | -174 | 0 | 0 | 0 | 0 | 111.9 | T238 E239 A246 | T238-S242 WeakPolarHBondContact O-CB 3.49Å; T238-S242 PolarHBondContact O-N 3.2Å; E239-S242 WeakPolarHBondContact O-CB 3.3Å; E239-S242 PolarHBondContact O-N 2.92Å; E239-S242 VanDerWaalsContact O-N 3.1Å; S242-A246 VanDerWaalsContact O-CB 3.27Å; S242-A246 WeakPolarHBondContact O-CB 3.21Å; S242-A246 PolarHBondContact O-N 3.37Å |
| 243 | Y | 97.5 | Very high | 97.3 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 5% | 0.051 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.1 | -41.3 | 179.4 | -63.1 | -4.3 | 0 | 0 | 0 | 111.9 | D232 E239 A240 K241 F247 V390 I391 | D232-Y243 HydrophobicContact CB-CD2 4.2Å; E239-Y243 WeakPolarHBondContact O-CD1 3.41Å; E239-Y243 VanDerWaalsContact O-CG 3.23Å; E239-Y243 PolarHBondContact O-N 3Å; A240-Y243 PolarHBondContact O-N 3.1Å; K241-Y243 PolarHBondContact O-N 2.95Å; Y243-F247 WeakPolarHBondContact O-CB 3.4Å; Y243-F247 PolarHBondContact O-N 3.02Å; Y243-V390 HydrophobicContact CD1-CG1 3.93Å; Y243-V390 HydrophobicContact CE1-CG1 4.28Å; Y243-V390 WeakPolarHBondContact CE1-O 3.33Å; Y243-I391 HydrophobicContact CD1-CG2 3.98Å; Y243-I391 HydrophobicContact CD2-CG2 4.46Å; Y243-I391 HydrophobicContact CG-CG2 3.94Å |
| 244 | R | 98.1 | Very high | 97.3 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 173.9 | -71.5 | -176.4 | -65.2 | -97.5 | 11.7 | 112.2 | L227 D232 Y233 E235 A240 K241 F247 L248 L273 | L227-R244 HydrophobicContact CD1-CG 4.44Å; D232-R244 WeakPolarHBondContact O-CG 3.29Å; D232-R244 PolarHBondContact O-NH1 3.5Å; Y233-R244 PolarHBondContact O-NH1 3.05Å; E235-R244 PolarHBondContact O-NH1 3.32Å; E235-R244 PolarHBondContact O-NH2 2.82Å; A240-R244 WeakPolarHBondContact O-CG 3.27Å; A240-R244 PolarHBondContact O-N 3.09Å; A240-R244 VanDerWaalsContact O-N 3.12Å; A240-R244 PolarHBondContact O-NH1 3.11Å; K241-R244 VanDerWaalsContact CG-NH2 3.3Å; K241-R244 PolarHBondContact O-N 2.86Å; K241-R244 VanDerWaalsContact O-N 3.14Å; R244-F247 PolarHBondContact O-N 3.31Å; R244-L248 PolarHBondContact O-N 3.03Å; R244-L273 HydrophobicContact CB-CD2 4.46Å |
| 245 | D | 98.3 | Very high | 97.4 | Very high | 105 Ų | 105 | 42.4 Ų | 42.4 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -67.2 | -46.1 | 179 | -67 | -19.6 | 0 | 0 | 0 | 110.9 | K241 F247 L248 Q249 | K241-D245 VanDerWaalsContact O-CG 3.31Å; K241-D245 PolarHBondContact O-N 3.33Å; D245-F247 VanDerWaalsContact C-N 3.29Å; D245-F247 PolarHBondContact O-N 2.48Å; D245-L248 PolarHBondContact O-N 3.25Å; D245-Q249 WeakPolarHBondContact O-CB 3.3Å; D245-Q249 PolarHBondContact O-N 2.82Å |
| 246 | A | 98.4 | Very high | 97.5 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 15% | 0.149 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S242 Q249 F250 F387 V390 | S242-A246 VanDerWaalsContact O-CB 3.27Å; S242-A246 WeakPolarHBondContact O-CB 3.21Å; S242-A246 PolarHBondContact O-N 3.37Å; A246-Q249 PolarHBondContact O-N 3.08Å; A246-F250 VanDerWaalsContact O-CB 3.27Å; A246-F250 WeakPolarHBondContact O-CB 3.48Å; A246-F250 PolarHBondContact O-N 3.21Å; A246-F387 HydrophobicContact CB-CD2 3.98Å; A246-F387 HydrophobicContact CB-CE2 4.31Å; A246-V390 HydrophobicContact CB-CB 3.99Å; A246-V390 HydrophobicContact CB-CG1 3.83Å; A246-V390 HydrophobicContact CB-CG2 4.1Å |
| 247 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.9 | -41.9 | 176.5 | 177.2 | -127.1 | 0 | 0 | 0 | 112.5 | S226 L227 Y233 Y243 R244 D245 F250 M251 L273 E276 W366 F387 | S226-F247 VanDerWaalsContact CB-CE2 3.4Å; L227-F247 HydrophobicContact CD1-CB 4.44Å; L227-F247 HydrophobicContact CD1-CD1 4.31Å; L227-F247 HydrophobicContact CD2-CB 4.14Å; L227-F247 HydrophobicContact CD2-CG 4.28Å; L227-F247 HydrophobicContact CG-CB 4.39Å; L227-F247 HydrophobicContact CG-CD1 4.21Å; L227-F247 HydrophobicContact CG-CG 4.19Å; Y233-F247 HydrophobicContact CE1-CE1 4.42Å; Y243-F247 WeakPolarHBondContact O-CB 3.4Å; Y243-F247 PolarHBondContact O-N 3.02Å; R244-F247 PolarHBondContact O-N 3.31Å; D245-F247 VanDerWaalsContact C-N 3.29Å; D245-F247 PolarHBondContact O-N 2.48Å; F247-F250 PolarHBondContact O-N 3.45Å; F247-M251 HydrophobicContact CD1-CE 3.82Å; F247-M251 HydrophobicContact CD2-CG 4.44Å; F247-M251 HydrophobicContact CE1-CE 3.49Å; F247-M251 VanDerWaalsContact CE1-CE 3.49Å; F247-M251 HydrophobicContact CE1-SD 3.97Å; F247-M251 HydrophobicContact CE2-CE 4.32Å; F247-M251 HydrophobicContact CE2-CG 3.93Å; F247-M251 HydrophobicContact CE2-SD 4.13Å; F247-M251 HydrophobicContact CG-CE 4.33Å; F247-M251 HydrophobicContact CZ-CE 3.74Å; F247-M251 HydrophobicContact CZ-CG 4.04Å; F247-M251 HydrophobicContact CZ-SD 3.6Å; F247-M251 VanDerWaalsContact CZ-SD 3.6Å; F247-M251 WeakPolarHBondContact O-CG 3.43Å; F247-M251 PolarHBondContact O-N 2.85Å; F247-L273 HydrophobicContact CD1-CD1 3.72Å; F247-L273 HydrophobicContact CE1-CD1 3.9Å; F247-E276 WeakPolarHBondContact CE1-OE2 3.47Å; F247-E276 WeakPolarHBondContact CZ-OE2 3.27Å; F247-W366 AromaticContact CE2-CZ2 3.74Å; F247-W366 HydrophobicContact CE2-CZ2 3.74Å; F247-W366 AromaticContact CE2-NE1 3.99Å; F247-W366 HydrophobicContact CZ-CZ2 4.33Å; F247-W366 AromaticContact CZ-NE1 3.72Å; F247-F387 HydrophobicContact CB-CE2 3.68Å; F247-F387 HydrophobicContact CB-CZ 4.01Å; F247-F387 HydrophobicContact CD2-CE1 4.49Å; F247-F387 HydrophobicContact CD2-CE2 4.3Å; F247-F387 AromaticContact CD2-CZ 3.9Å; F247-F387 HydrophobicContact CD2-CZ 3.9Å; F247-F387 HydrophobicContact CG-CE2 4.46Å; F247-F387 HydrophobicContact CG-CZ 4.34Å |
| 248 | L | 98.8 | Very high | 97.6 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58 | -51.8 | 172.2 | 176.5 | 57.1 | 0 | 0 | 0 | 110.6 | R244 D245 F250 M251 V252 M269 K270 L273 | R244-L248 PolarHBondContact O-N 3.03Å; D245-L248 PolarHBondContact O-N 3.25Å; L248-F250 PolarHBondContact O-N 3.27Å; L248-M251 HydrophobicContact CD1-CE 4.32Å; L248-M251 WeakPolarHBondContact O-CB 3.47Å; L248-M251 PolarHBondContact O-N 3.27Å; L248-M251 VanDerWaalsContact O-N 3.14Å; L248-V252 HydrophobicContact CD1-CG2 4.11Å; L248-V252 HydrophobicContact CG-CG2 4.47Å; L248-V252 VanDerWaalsContact O-CG2 3.3Å; L248-V252 WeakPolarHBondContact O-CG2 3.46Å; L248-V252 PolarHBondContact O-N 2.92Å; L248-M269 VanDerWaalsContact CD1-C 3.49Å; L248-M269 HydrophobicContact CD1-CB 3.87Å; L248-K270 HydrophobicContact CD1-CB 4.2Å; L248-K270 HydrophobicContact CD2-CB 4.45Å; L248-L273 HydrophobicContact CB-CD2 3.98Å |
| 249 | Q | 98.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 33.1 Ų | 33.1 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.6 | -38.2 | -179.3 | -168.7 | 57.8 | 52.6 | 0 | 0 | 111.4 | D245 A246 V252 D253 | D245-Q249 WeakPolarHBondContact O-CB 3.3Å; D245-Q249 PolarHBondContact O-N 2.82Å; A246-Q249 PolarHBondContact O-N 3.08Å; Q249-V252 PolarHBondContact O-N 3.42Å; Q249-D253 WeakPolarHBondContact CG-OD2 3.47Å; Q249-D253 VanDerWaalsContact NE2-CG 3.28Å; Q249-D253 PolarHBondContact NE2-OD1 3.42Å; Q249-D253 PolarHBondContact NE2-OD2 3.27Å; Q249-D253 WeakPolarHBondContact O-CB 3.34Å; Q249-D253 PolarHBondContact O-N 3.16Å |
| 250 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.3 | 178.4 | -121.7 | 0 | 0 | 0 | 113.2 | A246 F247 L248 T254 W366 Y370 L373 R383 W384 F387 | A246-F250 VanDerWaalsContact O-CB 3.27Å; A246-F250 WeakPolarHBondContact O-CB 3.48Å; A246-F250 PolarHBondContact O-N 3.21Å; F247-F250 PolarHBondContact O-N 3.45Å; L248-F250 PolarHBondContact O-N 3.27Å; F250-T254 VanDerWaalsContact O-CB 3.29Å; F250-T254 WeakPolarHBondContact O-CB 3.3Å; F250-T254 PolarHBondContact O-N 2.93Å; F250-T254 PolarHBondContact O-OG1 2.9Å; F250-W366 AromaticContact CD1-CH2 3.8Å; F250-W366 HydrophobicContact CD1-CH2 3.8Å; F250-W366 HydrophobicContact CD1-CZ2 4.18Å; F250-W366 AromaticContact CE1-CH2 3.69Å; F250-W366 HydrophobicContact CE1-CH2 3.69Å; F250-W366 HydrophobicContact CE1-CZ2 4.17Å; F250-Y370 AromaticContact CE1-CD2 3.76Å; F250-Y370 HydrophobicContact CE1-CD2 3.76Å; F250-Y370 AromaticContact CE1-CE2 3.7Å; F250-Y370 HydrophobicContact CE1-CE2 3.7Å; F250-L373 HydrophobicContact CE1-CD1 3.97Å; F250-L373 HydrophobicContact CE2-CD1 4.16Å; F250-L373 HydrophobicContact CZ-CD1 3.32Å; F250-R383 HydrophobicContact CD2-CG 3.96Å; F250-R383 HydrophobicContact CE2-CB 4.49Å; F250-R383 HydrophobicContact CE2-CG 4.08Å; F250-W384 VanDerWaalsContact CE2-CA 3.47Å; F250-W384 HydrophobicContact CE2-CB 3.94Å; F250-W384 HydrophobicContact CZ-CB 3.94Å; F250-W384 AromaticContact CZ-CD1 3.83Å; F250-W384 HydrophobicContact CZ-CG 4.32Å; F250-F387 HydrophobicContact CB-CB 3.98Å; F250-F387 HydrophobicContact CB-CD2 4.13Å; F250-F387 HydrophobicContact CB-CG 3.97Å; F250-F387 HydrophobicContact CD1-CB 4.45Å; F250-F387 AromaticContact CD1-CD1 3.83Å; F250-F387 HydrophobicContact CD1-CD1 3.83Å; F250-F387 HydrophobicContact CD1-CE1 4.24Å; F250-F387 HydrophobicContact CD1-CG 4.11Å; F250-F387 HydrophobicContact CD2-CB 3.94Å; F250-F387 HydrophobicContact CD2-CG 4.46Å; F250-F387 HydrophobicContact CE1-CD1 4.16Å; F250-F387 HydrophobicContact CG-CB 3.86Å; F250-F387 HydrophobicContact CG-CD1 4.1Å; F250-F387 AromaticContact CG-CG 3.92Å; F250-F387 HydrophobicContact CG-CG 3.92Å |
| 251 | M | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 173.6 | -74.8 | -170.6 | -75.5 | 0 | 0 | 112 | F247 L248 T254 A255 M269 V272 L273 W366 | F247-M251 HydrophobicContact CD1-CE 3.82Å; F247-M251 HydrophobicContact CD2-CG 4.44Å; F247-M251 HydrophobicContact CE1-CE 3.49Å; F247-M251 VanDerWaalsContact CE1-CE 3.49Å; F247-M251 HydrophobicContact CE1-SD 3.97Å; F247-M251 HydrophobicContact CE2-CE 4.32Å; F247-M251 HydrophobicContact CE2-CG 3.93Å; F247-M251 HydrophobicContact CE2-SD 4.13Å; F247-M251 HydrophobicContact CG-CE 4.33Å; F247-M251 HydrophobicContact CZ-CE 3.74Å; F247-M251 HydrophobicContact CZ-CG 4.04Å; F247-M251 HydrophobicContact CZ-SD 3.6Å; F247-M251 VanDerWaalsContact CZ-SD 3.6Å; F247-M251 WeakPolarHBondContact O-CG 3.43Å; F247-M251 PolarHBondContact O-N 2.85Å; L248-M251 HydrophobicContact CD1-CE 4.32Å; L248-M251 WeakPolarHBondContact O-CB 3.47Å; L248-M251 PolarHBondContact O-N 3.27Å; L248-M251 VanDerWaalsContact O-N 3.14Å; M251-T254 PolarHBondContact O-N 3.08Å; M251-A255 PolarHBondContact O-N 2.99Å; M251-M269 HydrophobicContact CB-CB 3.88Å; M251-M269 HydrophobicContact CB-CG 3.74Å; M251-M269 HydrophobicContact CB-SD 3.84Å; M251-M269 HydrophobicContact CG-SD 4.46Å; M251-M269 HydrophobicContact SD-SD 4.3Å; M251-V272 HydrophobicContact SD-CG1 3.92Å; M251-L273 HydrophobicContact CE-CB 3.9Å; M251-L273 HydrophobicContact CE-CD1 4.49Å; M251-W366 HydrophobicContact CB-CE3 4.44Å; M251-W366 HydrophobicContact CB-CH2 4.26Å; M251-W366 HydrophobicContact CB-CZ2 4.5Å; M251-W366 HydrophobicContact CB-CZ3 4.23Å; M251-W366 HydrophobicContact CG-CD2 3.81Å; M251-W366 VanDerWaalsContact CG-CE2 3.47Å; M251-W366 HydrophobicContact CG-CE3 4.01Å; M251-W366 HydrophobicContact CG-CH2 3.62Å; M251-W366 HydrophobicContact CG-CZ2 3.41Å; M251-W366 VanDerWaalsContact CG-CZ2 3.41Å; M251-W366 HydrophobicContact CG-CZ3 3.91Å; M251-W366 HydrophobicContact SD-CD2 4.12Å; M251-W366 HydrophobicContact SD-CG 4.31Å; M251-W366 HydrophobicContact SD-CZ2 4.34Å |
| 252 | V | 98.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.7 | -51.7 | -178.8 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | L248 Q249 T254 A255 V256 A265 E266 M269 | L248-V252 HydrophobicContact CD1-CG2 4.11Å; L248-V252 HydrophobicContact CG-CG2 4.47Å; L248-V252 VanDerWaalsContact O-CG2 3.3Å; L248-V252 WeakPolarHBondContact O-CG2 3.46Å; L248-V252 PolarHBondContact O-N 2.92Å; Q249-V252 PolarHBondContact O-N 3.42Å; V252-T254 VanDerWaalsContact C-N 3.3Å; V252-T254 PolarHBondContact O-N 3.21Å; V252-A255 WeakPolarHBondContact O-CB 3.37Å; V252-A255 PolarHBondContact O-N 3.29Å; V252-A255 VanDerWaalsContact O-N 3.15Å; V252-V256 WeakPolarHBondContact O-CG2 3.43Å; V252-V256 PolarHBondContact O-N 3.27Å; V252-A265 HydrophobicContact CG1-CB 4.05Å; V252-E266 WeakPolarHBondContact CG2-OE2 2.85Å; V252-M269 HydrophobicContact CG2-CB 3.8Å; V252-M269 HydrophobicContact CG2-CG 4.15Å |
| 253 | D | 98.4 | Very high | 97.7 | Very high | 41 Ų | 41 | 33.9 Ų | 33.9 | 22% | 0.219 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -34.7 | -177.4 | -65.9 | -32.9 | 0 | 0 | 0 | 112.2 | Q249 V256 L257 R383 | Q249-D253 WeakPolarHBondContact CG-OD2 3.47Å; Q249-D253 VanDerWaalsContact NE2-CG 3.28Å; Q249-D253 PolarHBondContact NE2-OD1 3.42Å; Q249-D253 PolarHBondContact NE2-OD2 3.27Å; Q249-D253 WeakPolarHBondContact O-CB 3.34Å; Q249-D253 PolarHBondContact O-N 3.16Å; D253-V256 PolarHBondContact O-N 3.32Å; D253-L257 WeakPolarHBondContact O-CB 3.44Å; D253-L257 VanDerWaalsContact O-CG 3.25Å; D253-L257 WeakPolarHBondContact O-CG 3.14Å; D253-L257 PolarHBondContact O-N 2.83Å; D253-R383 HydrophobicContact CB-CG 4.03Å; D253-R383 IonicContact OD2-CZ 3.55Å; D253-R383 IonicContact OD2-NE 2.86Å; D253-R383 PolarHBondContact OD2-NE 2.87Å; D253-R383 IonicContact OD2-NH1 3.8Å; D253-R383 IonicContact OD2-NH2 2.71Å; D253-R383 PolarHBondContact OD2-NH2 2.87Å |
| 254 | T | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 174 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | F250 M251 V252 V256 L257 L258 W366 V369 L373 | F250-T254 VanDerWaalsContact O-CB 3.29Å; F250-T254 WeakPolarHBondContact O-CB 3.3Å; F250-T254 PolarHBondContact O-N 2.93Å; F250-T254 PolarHBondContact O-OG1 2.9Å; M251-T254 PolarHBondContact O-N 3.08Å; V252-T254 VanDerWaalsContact C-N 3.3Å; V252-T254 PolarHBondContact O-N 3.21Å; T254-V256 VanDerWaalsContact C-N 3.34Å; T254-L257 PolarHBondContact O-N 3.49Å; T254-L258 HydrophobicContact CG2-CD1 4.17Å; T254-L258 WeakPolarHBondContact O-CG 3.3Å; T254-L258 PolarHBondContact O-N 3.48Å; T254-L258 VanDerWaalsContact O-N 3.14Å; T254-W366 HydrophobicContact CG2-CZ3 3.94Å; T254-V369 HydrophobicContact CG2-CG1 3.75Å; T254-L373 HydrophobicContact CG2-CD1 4.14Å; T254-L373 HydrophobicContact CG2-CD2 3.68Å |
| 255 | A | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W165 V167 M251 V252 L258 G259 A260 A265 | W165-A255 HydrophobicContact CH2-CB 3.89Å; W165-A255 HydrophobicContact CZ3-CB 4.23Å; V167-A255 HydrophobicContact CG1-CB 4.12Å; V167-A255 HydrophobicContact CG2-CB 4.33Å; M251-A255 PolarHBondContact O-N 2.99Å; V252-A255 WeakPolarHBondContact O-CB 3.37Å; V252-A255 PolarHBondContact O-N 3.29Å; V252-A255 VanDerWaalsContact O-N 3.15Å; A255-L258 CarbonylContact O-C 3.31Å; A255-L258 PolarHBondContact O-N 2.95Å; A255-G259 PolarHBondContact O-N 3.42Å; A255-A260 VanDerWaalsContact C-CB 3.5Å; A255-A260 HydrophobicContact CB-CB 3.9Å; A255-A260 WeakPolarHBondContact O-CB 3.48Å; A255-A260 PolarHBondContact O-N 3.24Å; A255-A265 HydrophobicContact CB-CB 4.03Å |
| 256 | V | 97.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 33.5 Ų | 33.5 | 33% | 0.333 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | V252 D253 T254 L258 G259 A262 A265 | V252-V256 WeakPolarHBondContact O-CG2 3.43Å; V252-V256 PolarHBondContact O-N 3.27Å; D253-V256 PolarHBondContact O-N 3.32Å; T254-V256 VanDerWaalsContact C-N 3.34Å; V256-L258 PolarHBondContact O-N 3.13Å; V256-G259 WeakPolarHBondContact O-CA 3.43Å; V256-G259 PolarHBondContact O-N 3.34Å; V256-A262 HydrophobicContact CG2-CB 4.08Å; V256-A265 HydrophobicContact CG2-CB 4.07Å |
| 257 | L | 96.5 | Very high | 97.6 | Very high | 53 Ų | 53 | 35.8 Ų | 35.8 | 28% | 0.277 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.2 | -27.5 | 174.9 | -76 | 173.3 | 0 | 0 | 0 | 112.8 | D253 T254 G259 F380 R383 | D253-L257 WeakPolarHBondContact O-CB 3.44Å; D253-L257 VanDerWaalsContact O-CG 3.25Å; D253-L257 WeakPolarHBondContact O-CG 3.14Å; D253-L257 PolarHBondContact O-N 2.83Å; T254-L257 PolarHBondContact O-N 3.49Å; L257-G259 VanDerWaalsContact C-N 3.34Å; L257-F380 HydrophobicContact CB-CD1 4.47Å; L257-F380 HydrophobicContact CB-CE1 3.58Å; L257-F380 HydrophobicContact CB-CZ 3.81Å; L257-F380 HydrophobicContact CD1-CD1 4.16Å; L257-F380 HydrophobicContact CD1-CE1 4.07Å; L257-F380 HydrophobicContact CG-CE1 4.47Å; L257-R383 HydrophobicContact CD1-CB 4.04Å; L257-R383 HydrophobicContact CD1-CG 4.2Å |
| 258 | L | 96.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.8 | 174.9 | -69.1 | 167.3 | 0 | 0 | 0 | 113.5 | V151 L154 L155 W165 L168 T254 A255 V256 V369 F380 | V151-L258 HydrophobicContact CB-CD2 4.09Å; V151-L258 HydrophobicContact CG1-CD2 3.85Å; L154-L258 HydrophobicContact CD2-CD1 4.11Å; L154-L258 HydrophobicContact CD2-CD2 4.07Å; L155-L258 HydrophobicContact CD2-CB 4.46Å; L155-L258 HydrophobicContact CD2-CD2 3.98Å; W165-L258 HydrophobicContact CE3-CD1 4.38Å; W165-L258 HydrophobicContact CZ3-CD1 3.66Å; L168-L258 HydrophobicContact CD2-CB 4.04Å; T254-L258 HydrophobicContact CG2-CD1 4.17Å; T254-L258 WeakPolarHBondContact O-CG 3.3Å; T254-L258 PolarHBondContact O-N 3.48Å; T254-L258 VanDerWaalsContact O-N 3.14Å; A255-L258 CarbonylContact O-C 3.31Å; A255-L258 PolarHBondContact O-N 2.95Å; V256-L258 PolarHBondContact O-N 3.13Å; L258-V369 HydrophobicContact CD1-CG1 3.7Å; L258-V369 HydrophobicContact CD1-CG2 4.44Å; L258-F380 HydrophobicContact CD2-CE1 4.12Å; L258-F380 HydrophobicContact CD2-CZ 4.02Å; L258-F380 HydrophobicContact CG-CE1 4.01Å; L258-F380 HydrophobicContact CG-CZ 4.29Å |
| 259 | G | 95.1 | Very high | 97.6 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 34% | 0.34 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104.2 | 12 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N171 A255 V256 L257 | N171-G259 WeakPolarHBondContact CB-O 3.47Å; N171-G259 PolarHBondContact ND2-O 3.4Å; A255-G259 PolarHBondContact O-N 3.42Å; V256-G259 WeakPolarHBondContact O-CA 3.43Å; V256-G259 PolarHBondContact O-N 3.34Å; L257-G259 VanDerWaalsContact C-N 3.34Å |
| 260 | A | 96.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | trans | -68.6 | 151.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V167 L168 A255 A265 | V167-A260 HydrophobicContact CG2-CB 4.07Å; L168-A260 HydrophobicContact CD2-CB 4.01Å; A255-A260 VanDerWaalsContact C-CB 3.5Å; A255-A260 HydrophobicContact CB-CB 3.9Å; A255-A260 WeakPolarHBondContact O-CB 3.48Å; A255-A260 PolarHBondContact O-N 3.24Å; A260-A265 HydrophobicContact CB-CB 4.09Å | ||
| 261 | N | 96.4 | Very high | 97.6 | Very high | 82 Ų | 82 | 36.9 Ų | 36.9 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | trans | -67.7 | 133.5 | 163.7 | 173.8 | -82.9 | 0 | 0 | 0 | 110 | S263 R264 A265 | N261-S263 PolarHBondContact OD1-N 2.97Å; N261-S263 VanDerWaalsContact OD1-N 3.14Å; N261-R264 HydrophobicContact CB-CB 4.26Å; N261-R264 PolarHBondContact O-N 2.99Å; N261-R264 PolarHBondContact OD1-N 3.11Å; N261-R264 VanDerWaalsContact OD1-N 3.17Å; N261-A265 WeakPolarHBondContact O-CB 3.46Å; N261-A265 PolarHBondContact O-N 3.26Å | ||
| 262 | A | 96.6 | Very high | 97.6 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 47% | 0.471 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.1 | -49.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | V256 R264 A265 E266 | V256-A262 HydrophobicContact CG2-CB 4.08Å; A262-R264 VanDerWaalsContact C-N 3.26Å; A262-R264 PolarHBondContact O-N 2.89Å; A262-A265 PolarHBondContact O-N 2.97Å; A262-E266 PolarHBondContact O-N 3.4Å |
| 263 | S | 96.4 | Very high | 97.6 | Very high | 97 Ų | 97 | 37.4 Ų | 37.4 | 68% | 0.678 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.6 | -34.5 | 179.8 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | N261 S267 | N261-S263 PolarHBondContact OD1-N 2.97Å; N261-S263 VanDerWaalsContact OD1-N 3.14Å; S263-S267 PolarHBondContact O-N 3.39Å |
| 264 | R | 95.9 | Very high | 97.7 | Very high | 74 Ų | 74 | 42.2 Ų | 42.2 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.9 | -45.2 | 174 | -176.4 | 177.2 | -63.3 | 136.3 | -11.5 | 112 | E169 N261 A262 E266 S267 D268 | E169-R264 IonicContact OE1-CZ 2.94Å; E169-R264 IonicContact OE1-NE 2.63Å; E169-R264 PolarHBondContact OE1-NE 2.93Å; E169-R264 IonicContact OE1-NH1 2.88Å; E169-R264 PolarHBondContact OE1-NH1 3.43Å; E169-R264 IonicContact OE1-NH2 2.81Å; E169-R264 PolarHBondContact OE1-NH2 3.26Å; E169-R264 IonicContact OE2-CZ 2.75Å; E169-R264 IonicContact OE2-NH1 3.05Å; E169-R264 PolarHBondContact OE2-NH1 2.72Å; E169-R264 IonicContact OE2-NH2 2.92Å; E169-R264 PolarHBondContact OE2-NH2 3.19Å; N261-R264 HydrophobicContact CB-CB 4.26Å; N261-R264 PolarHBondContact O-N 2.99Å; N261-R264 PolarHBondContact OD1-N 3.11Å; N261-R264 VanDerWaalsContact OD1-N 3.17Å; A262-R264 VanDerWaalsContact C-N 3.26Å; A262-R264 PolarHBondContact O-N 2.89Å; R264-E266 PolarHBondContact O-N 3.35Å; R264-S267 PolarHBondContact O-N 3.02Å; R264-D268 WeakPolarHBondContact O-CB 3.11Å; R264-D268 PolarHBondContact O-N 2.83Å |
| 265 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.3 | -45.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V167 V252 A255 V256 A260 N261 A262 D268 M269 | V167-A265 HydrophobicContact CG2-CB 4.21Å; V252-A265 HydrophobicContact CG1-CB 4.05Å; A255-A265 HydrophobicContact CB-CB 4.03Å; V256-A265 HydrophobicContact CG2-CB 4.07Å; A260-A265 HydrophobicContact CB-CB 4.09Å; N261-A265 WeakPolarHBondContact O-CB 3.46Å; N261-A265 PolarHBondContact O-N 3.26Å; A262-A265 PolarHBondContact O-N 2.97Å; A265-D268 PolarHBondContact O-N 3.07Å; A265-M269 WeakPolarHBondContact O-CB 3.26Å; A265-M269 WeakPolarHBondContact O-CG 3.39Å; A265-M269 PolarHBondContact O-N 3.27Å |
| 266 | E | 98.4 | Very high | 97.7 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54 | -56.6 | 173.6 | -174.9 | 60.8 | -149.9 | 0 | 0 | 112.3 | V252 A262 R264 D268 K270 | V252-E266 WeakPolarHBondContact CG2-OE2 2.85Å; A262-E266 PolarHBondContact O-N 3.4Å; R264-E266 PolarHBondContact O-N 3.35Å; E266-D268 PolarHBondContact O-N 2.85Å; E266-K270 WeakPolarHBondContact O-CB 3.4Å; E266-K270 PolarHBondContact O-N 3.18Å |
| 267 | S | 98.4 | Very high | 97.8 | Very high | 66 Ų | 66 | 41 Ų | 41 | 46% | 0.462 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62 | -45.1 | -178.7 | 168.3 | 0 | 0 | 0 | 0 | 113.3 | S263 R264 S271 | S263-S267 PolarHBondContact O-N 3.39Å; R264-S267 PolarHBondContact O-N 3.02Å; S267-S271 PolarHBondContact O-N 3.34Å; S267-S271 PolarHBondContact O-OG 3.41Å |
| 268 | D | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.9 | -45.4 | -178 | -83.5 | 1.4 | 0 | 0 | 0 | 110.6 | V167 R264 A265 E266 S271 V272 K358 N362 | V167-D268 HydrophobicContact CG2-CB 4.04Å; R264-D268 WeakPolarHBondContact O-CB 3.11Å; R264-D268 PolarHBondContact O-N 2.83Å; A265-D268 PolarHBondContact O-N 3.07Å; E266-D268 PolarHBondContact O-N 2.85Å; D268-S271 WeakPolarHBondContact O-CA 3.35Å; D268-S271 VanDerWaalsContact O-CB 3.31Å; D268-S271 WeakPolarHBondContact O-CB 3.4Å; D268-S271 PolarHBondContact O-N 3.16Å; D268-V272 WeakPolarHBondContact O-CG2 3.47Å; D268-V272 PolarHBondContact O-N 2.94Å; D268-K358 VanDerWaalsContact CG-NZ 3.26Å; D268-K358 IonicContact OD1-NZ 2.74Å; D268-K358 PolarHBondContact OD1-NZ 3.08Å; D268-K358 WeakPolarHBondContact OD2-CE 3.16Å; D268-K358 IonicContact OD2-NZ 3.46Å; D268-K358 PolarHBondContact OD2-NZ 3.27Å; D268-N362 PolarHBondContact OD2-ND2 3.46Å; D268-N362 VanDerWaalsContact OD2-ND2 3.11Å |
| 269 | M | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.7 | -30.9 | -180 | -64.3 | -57.3 | 100.2 | 0 | 0 | 112.3 | W165 V167 L248 M251 V252 A265 S271 V272 L273 N362 | W165-M269 HydrophobicContact CZ2-CE 4.2Å; W165-M269 HydrophobicContact CZ2-SD 4.21Å; V167-M269 HydrophobicContact CB-CE 4.3Å; V167-M269 HydrophobicContact CG1-CE 4.49Å; V167-M269 HydrophobicContact CG2-CE 4.3Å; L248-M269 VanDerWaalsContact CD1-C 3.49Å; L248-M269 HydrophobicContact CD1-CB 3.87Å; M251-M269 HydrophobicContact CB-CB 3.88Å; M251-M269 HydrophobicContact CB-CG 3.74Å; M251-M269 HydrophobicContact CB-SD 3.84Å; M251-M269 HydrophobicContact CG-SD 4.46Å; M251-M269 HydrophobicContact SD-SD 4.3Å; V252-M269 HydrophobicContact CG2-CB 3.8Å; V252-M269 HydrophobicContact CG2-CG 4.15Å; A265-M269 WeakPolarHBondContact O-CB 3.26Å; A265-M269 WeakPolarHBondContact O-CG 3.39Å; A265-M269 PolarHBondContact O-N 3.27Å; M269-S271 PolarHBondContact O-N 3.45Å; M269-V272 HydrophobicContact CE-CG2 3.78Å; M269-V272 WeakPolarHBondContact O-CB 3.42Å; M269-V272 PolarHBondContact O-N 3.21Å; M269-V272 VanDerWaalsContact O-N 3.15Å; M269-V272 HydrophobicContact SD-CG2 4.31Å; M269-L273 PolarHBondContact O-N 3.2Å; M269-N362 HydrophobicContact CE-CB 4.15Å |
| 270 | K | 98.8 | Very high | 98.1 | Very high | 114 Ų | 114 | 40.5 Ų | 40.5 | 50% | 0.496 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63 | -31.6 | 168.7 | -171.6 | 171.2 | -172.6 | 167.8 | 0 | 112.2 | L248 E266 R274 | L248-K270 HydrophobicContact CD1-CB 4.2Å; L248-K270 HydrophobicContact CD2-CB 4.45Å; E266-K270 WeakPolarHBondContact O-CB 3.4Å; E266-K270 PolarHBondContact O-N 3.18Å; K270-R274 VanDerWaalsContact O-CG 3.32Å; K270-R274 WeakPolarHBondContact O-CG 3.49Å; K270-R274 PolarHBondContact O-N 3.26Å; K270-R274 PolarHBondContact O-NE 3.24Å |
| 271 | S | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.2 | -37.3 | 172.9 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | S267 D268 M269 R274 L275 R356 | S267-S271 PolarHBondContact O-N 3.34Å; S267-S271 PolarHBondContact O-OG 3.41Å; D268-S271 WeakPolarHBondContact O-CA 3.35Å; D268-S271 VanDerWaalsContact O-CB 3.31Å; D268-S271 WeakPolarHBondContact O-CB 3.4Å; D268-S271 PolarHBondContact O-N 3.16Å; M269-S271 PolarHBondContact O-N 3.45Å; S271-R274 PolarHBondContact O-N 3.11Å; S271-R274 PolarHBondContact OG-NH2 3.21Å; S271-L275 PolarHBondContact O-N 2.95Å; S271-R356 PolarHBondContact OG-NH2 2.94Å |
| 272 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 173.9 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | M251 D268 M269 R274 L275 E276 N362 Y363 | M251-V272 HydrophobicContact SD-CG1 3.92Å; D268-V272 WeakPolarHBondContact O-CG2 3.47Å; D268-V272 PolarHBondContact O-N 2.94Å; M269-V272 HydrophobicContact CE-CG2 3.78Å; M269-V272 WeakPolarHBondContact O-CB 3.42Å; M269-V272 PolarHBondContact O-N 3.21Å; M269-V272 VanDerWaalsContact O-N 3.15Å; M269-V272 HydrophobicContact SD-CG2 4.31Å; V272-R274 PolarHBondContact O-N 2.99Å; V272-L275 WeakPolarHBondContact O-CB 3.47Å; V272-L275 PolarHBondContact O-N 3.45Å; V272-E276 PolarHBondContact O-N 2.9Å; V272-N362 HydrophobicContact CG2-CB 3.63Å; V272-Y363 HydrophobicContact CG1-CD2 3.79Å; V272-Y363 HydrophobicContact CG1-CG 4.42Å |
| 273 | L | 98.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 175.7 | -179.8 | 55.6 | 0 | 0 | 0 | 111.5 | Y233 R244 F247 L248 M251 M269 L275 E276 V277 | Y233-L273 HydrophobicContact CD1-CD1 4.37Å; Y233-L273 HydrophobicContact CE1-CD1 4.05Å; R244-L273 HydrophobicContact CB-CD2 4.46Å; F247-L273 HydrophobicContact CD1-CD1 3.72Å; F247-L273 HydrophobicContact CE1-CD1 3.9Å; L248-L273 HydrophobicContact CB-CD2 3.98Å; M251-L273 HydrophobicContact CE-CB 3.9Å; M251-L273 HydrophobicContact CE-CD1 4.49Å; M269-L273 PolarHBondContact O-N 3.2Å; L273-L275 VanDerWaalsContact C-N 3.3Å; L273-L275 PolarHBondContact O-N 3.37Å; L273-E276 PolarHBondContact O-N 3.15Å; L273-E276 VanDerWaalsContact O-N 3.14Å; L273-V277 HydrophobicContact CD1-CG2 4.37Å; L273-V277 WeakPolarHBondContact O-CG2 3.46Å; L273-V277 PolarHBondContact O-N 3.03Å |
| 274 | R | 98.7 | Very high | 98.3 | Very high | 141 Ų | 141 | 39 Ų | 39 | 53% | 0.532 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.1 | -39.2 | 177.2 | -76.7 | -176.9 | -66.3 | 160.2 | 0.1 | 112.5 | K270 S271 V272 K278 | K270-R274 VanDerWaalsContact O-CG 3.32Å; K270-R274 WeakPolarHBondContact O-CG 3.49Å; K270-R274 PolarHBondContact O-N 3.26Å; K270-R274 PolarHBondContact O-NE 3.24Å; S271-R274 PolarHBondContact O-N 3.11Å; S271-R274 PolarHBondContact OG-NH2 3.21Å; V272-R274 PolarHBondContact O-N 2.99Å; R274-K278 WeakPolarHBondContact O-CG 3.46Å; R274-K278 PolarHBondContact O-N 3.46Å; R274-K278 VanDerWaalsContact O-N 3.16Å |
| 275 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 173.9 | 173.9 | 59.1 | 0 | 0 | 0 | 111 | S271 V272 L273 V277 K278 I279 I351 L352 E355 T359 I360 Y363 | S271-L275 PolarHBondContact O-N 2.95Å; V272-L275 WeakPolarHBondContact O-CB 3.47Å; V272-L275 PolarHBondContact O-N 3.45Å; L273-L275 VanDerWaalsContact C-N 3.3Å; L273-L275 PolarHBondContact O-N 3.37Å; L275-V277 VanDerWaalsContact C-N 3.33Å; L275-V277 PolarHBondContact O-N 3.22Å; L275-K278 WeakPolarHBondContact O-CB 3.3Å; L275-K278 PolarHBondContact O-N 2.67Å; L275-I279 HydrophobicContact CD1-CD1 4.1Å; L275-I279 HydrophobicContact CD1-CG1 4.42Å; L275-I279 HydrophobicContact CG-CD1 4Å; L275-I279 WeakPolarHBondContact O-CG1 3.35Å; L275-I279 PolarHBondContact O-N 2.82Å; L275-I279 VanDerWaalsContact O-N 3.09Å; L275-I351 HydrophobicContact CD1-CG2 3.69Å; L275-L352 HydrophobicContact CD1-CD2 4.39Å; L275-E355 HydrophobicContact CD1-CG 4.14Å; L275-E355 HydrophobicContact CD2-CG 4.33Å; L275-T359 HydrophobicContact CB-CG2 4.19Å; L275-T359 HydrophobicContact CD2-CG2 4.16Å; L275-I360 HydrophobicContact CD2-CG1 4.45Å; L275-Y363 HydrophobicContact CD2-CG 4.31Å |
| 276 | E | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.5 | -34.8 | 179.8 | -159.6 | 172 | -144.6 | 0 | 0 | 112.6 | L225 S226 Y233 F247 V272 L273 I279 A280 Y363 | L225-E276 WeakPolarHBondContact CA-OE1 3.41Å; L225-E276 HydrophobicContact CB-CG 4.38Å; L225-E276 HydrophobicContact CD2-CG 3.86Å; S226-E276 WeakPolarHBondContact CB-OE1 3.28Å; S226-E276 PolarHBondContact N-OE1 3.11Å; Y233-E276 HydrophobicContact CE1-CB 4.17Å; Y233-E276 HydrophobicContact CE1-CG 3.89Å; Y233-E276 PolarHBondContact OH-OE1 3.06Å; Y233-E276 PolarHBondContact OH-OE2 2.76Å; F247-E276 WeakPolarHBondContact CE1-OE2 3.47Å; F247-E276 WeakPolarHBondContact CZ-OE2 3.27Å; V272-E276 PolarHBondContact O-N 2.9Å; L273-E276 PolarHBondContact O-N 3.15Å; L273-E276 VanDerWaalsContact O-N 3.14Å; E276-I279 PolarHBondContact O-N 3.08Å; E276-A280 PolarHBondContact O-N 2.93Å; E276-Y363 HydrophobicContact CB-CE2 4.02Å; E276-Y363 HydrophobicContact CG-CE2 3.85Å |
| 277 | V | 98.8 | Very high | 97.3 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 19% | 0.194 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 170.4 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | Y233 L273 L275 I279 A280 E281 | Y233-V277 HydrophobicContact CD1-CG2 3.85Å; L273-V277 HydrophobicContact CD1-CG2 4.37Å; L273-V277 WeakPolarHBondContact O-CG2 3.46Å; L273-V277 PolarHBondContact O-N 3.03Å; L275-V277 VanDerWaalsContact C-N 3.33Å; L275-V277 PolarHBondContact O-N 3.22Å; V277-I279 PolarHBondContact O-N 2.72Å; V277-A280 WeakPolarHBondContact O-CB 3.48Å; V277-A280 PolarHBondContact O-N 3.45Å; V277-A280 VanDerWaalsContact O-N 3.07Å; V277-E281 WeakPolarHBondContact O-CG 3.22Å; V277-E281 PolarHBondContact O-N 2.79Å |
| 278 | K | 98.7 | Very high | 96.9 | Very high | 79 Ų | 79 | 42 Ų | 42 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.2 | -34.5 | 176 | -67.6 | 173.2 | -176.4 | 174.5 | 0 | 112.1 | R274 L275 I351 E355 | R274-K278 WeakPolarHBondContact O-CG 3.46Å; R274-K278 PolarHBondContact O-N 3.46Å; R274-K278 VanDerWaalsContact O-N 3.16Å; L275-K278 WeakPolarHBondContact O-CB 3.3Å; L275-K278 PolarHBondContact O-N 2.67Å; K278-I351 HydrophobicContact CB-CD1 4.14Å; K278-I351 HydrophobicContact CB-CG2 4.29Å; K278-I351 HydrophobicContact CD-CG2 4.11Å; K278-E355 IonicContact NZ-OE2 2.94Å; K278-E355 PolarHBondContact NZ-OE2 2.8Å |
| 279 | I | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.4 | -42.3 | 176.9 | -63.7 | 161.1 | 0 | 0 | 0 | 110.3 | F201 L225 L275 E276 V277 E281 I282 M283 Y344 L348 | F201-I279 HydrophobicContact CD1-CD1 3.79Å; F201-I279 HydrophobicContact CE1-CD1 3.35Å; F201-I279 HydrophobicContact CZ-CD1 4.46Å; L225-I279 HydrophobicContact CD2-CB 4.45Å; L225-I279 HydrophobicContact CD2-CG2 3.91Å; L275-I279 HydrophobicContact CD1-CD1 4.1Å; L275-I279 HydrophobicContact CD1-CG1 4.42Å; L275-I279 HydrophobicContact CG-CD1 4Å; L275-I279 WeakPolarHBondContact O-CG1 3.35Å; L275-I279 PolarHBondContact O-N 2.82Å; L275-I279 VanDerWaalsContact O-N 3.09Å; E276-I279 PolarHBondContact O-N 3.08Å; V277-I279 PolarHBondContact O-N 2.72Å; I279-E281 PolarHBondContact O-N 3.21Å; I279-I282 WeakPolarHBondContact O-CG1 3.41Å; I279-I282 PolarHBondContact O-N 3.37Å; I279-M283 HydrophobicContact CG2-CG 4.43Å; I279-M283 WeakPolarHBondContact O-CG 3.34Å; I279-M283 PolarHBondContact O-N 3.4Å; I279-M283 VanDerWaalsContact O-N 3.08Å; I279-Y344 HydrophobicContact CG2-CE2 4.05Å; I279-L348 HydrophobicContact CD1-CD1 4.46Å; I279-L348 HydrophobicContact CG1-CD1 4.18Å |
| 280 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.8 | -40 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L225 R230 Y233 L234 E276 V277 I282 M283 | L225-A280 HydrophobicContact CD1-CB 3.66Å; R230-A280 HydrophobicContact CG-CB 4.29Å; R230-A280 PolarHBondContact NE-O 2.81Å; R230-A280 PolarHBondContact NH2-O 3.05Å; Y233-A280 HydrophobicContact CD2-CB 4.07Å; Y233-A280 HydrophobicContact CG-CB 3.9Å; L234-A280 HydrophobicContact CD2-CB 4.14Å; L234-A280 HydrophobicContact CG-CB 4.41Å; E276-A280 PolarHBondContact O-N 2.93Å; V277-A280 WeakPolarHBondContact O-CB 3.48Å; V277-A280 PolarHBondContact O-N 3.45Å; V277-A280 VanDerWaalsContact O-N 3.07Å; A280-I282 VanDerWaalsContact C-N 3.31Å; A280-I282 PolarHBondContact O-N 2.71Å; A280-M283 PolarHBondContact O-N 3.19Å |
| 281 | E | 98.3 | Very high | 96 | Very high | 112 Ų | 112 | 41.4 Ų | 41.4 | 52% | 0.523 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.2 | -43 | 177.4 | -70.8 | 170.3 | 169.5 | 0 | 0 | 112.4 | R230 L234 V277 I279 | R230-E281 PolarHBondContact NH2-O 3.31Å; L234-E281 HydrophobicContact CD2-CB 4.46Å; L234-E281 HydrophobicContact CD2-CG 3.54Å; V277-E281 WeakPolarHBondContact O-CG 3.22Å; V277-E281 PolarHBondContact O-N 2.79Å; I279-E281 PolarHBondContact O-N 3.21Å |
| 282 | I | 98.3 | Very high | 95.6 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 19% | 0.185 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -89.5 | -10.6 | -175.8 | 65.3 | 157.8 | 0 | 0 | 0 | 114.5 | I279 A280 I284 Y344 D347 L348 I351 | I279-I282 WeakPolarHBondContact O-CG1 3.41Å; I279-I282 PolarHBondContact O-N 3.37Å; A280-I282 VanDerWaalsContact C-N 3.31Å; A280-I282 PolarHBondContact O-N 2.71Å; I282-I284 PolarHBondContact O-N 3.18Å; I282-Y344 HydrophobicContact CD1-CD2 3.74Å; I282-Y344 HydrophobicContact CD1-CE2 3.88Å; I282-Y344 HydrophobicContact CG1-CD2 3.88Å; I282-Y344 HydrophobicContact CG1-CE2 4.06Å; I282-D347 HydrophobicContact CB-CB 4.1Å; I282-D347 HydrophobicContact CD1-CB 3.84Å; I282-D347 HydrophobicContact CG2-CB 3.9Å; I282-L348 HydrophobicContact CD1-CB 3.82Å; I282-L348 VanDerWaalsContact CD1-N 3.31Å; I282-I351 HydrophobicContact CD1-CD1 3.81Å; I282-I351 HydrophobicContact CG1-CD1 4.2Å; I282-I351 HydrophobicContact CG2-CD1 3.98Å |
| 283 | M | 97.5 | Very high | 95.4 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -63.2 | 135.5 | 177.3 | -82.4 | -179.9 | 80.6 | 0 | 0 | 111.1 | Q222 L225 R230 I279 A280 P285 Y344 | Q222-M283 HydrophobicContact CG-CE 4.17Å; L225-M283 HydrophobicContact CD1-SD 3.57Å; L225-M283 VanDerWaalsContact CD1-SD 3.57Å; L225-M283 HydrophobicContact CD2-SD 3.61Å; L225-M283 HydrophobicContact CG-CE 4.3Å; L225-M283 HydrophobicContact CG-SD 3.47Å; L225-M283 WeakPolarHBondContact CG-SD 3.45Å; R230-M283 PolarHBondContact NE-O 3.15Å; I279-M283 HydrophobicContact CG2-CG 4.43Å; I279-M283 WeakPolarHBondContact O-CG 3.34Å; I279-M283 PolarHBondContact O-N 3.4Å; I279-M283 VanDerWaalsContact O-N 3.08Å; A280-M283 PolarHBondContact O-N 3.19Å; M283-P285 WeakPolarHBondContact O-CD 3.47Å; M283-Y344 HydrophobicContact CG-CD2 4.22Å; M283-Y344 HydrophobicContact CG-CE2 3.83Å |
| 284 | I | 96.1 | Very high | 95.3 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 124 | 175.7 | -50.7 | -169.9 | 0 | 0 | 0 | 108.4 | Q222 I282 N288 R289 M294 V341 | Q222-I284 PolarHBondContact NE2-O 3.32Å; Q222-I284 VanDerWaalsContact OE1-N 3.12Å; I282-I284 PolarHBondContact O-N 3.18Å; I284-N288 HydrophobicContact CG2-CB 4.08Å; I284-R289 HydrophobicContact CB-CG 4.11Å; I284-R289 HydrophobicContact CG2-CG 3.66Å; I284-R289 WeakPolarHBondContact O-CD 3.36Å; I284-M294 HydrophobicContact CD1-CE 4.35Å; I284-V341 HydrophobicContact CD1-CB 3.89Å; I284-V341 HydrophobicContact CD1-CG1 3.66Å; I284-V341 HydrophobicContact CG1-CB 4.5Å; I284-V341 HydrophobicContact CG1-CG1 4.21Å |
| 285 | P | 92.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 20% | 0.195 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 152 | 176.4 | -23.4 | 34.6 | 0 | 0 | 0 | 112.5 | M283 E287 N288 R289 | M283-P285 WeakPolarHBondContact O-CD 3.47Å; P285-E287 VanDerWaalsContact C-N 3.34Å; P285-E287 HydrophobicContact CB-CG 4.39Å; P285-E287 PolarHBondContact O-N 2.87Å; P285-N288 PolarHBondContact O-N 2.8Å; P285-N288 VanDerWaalsContact O-N 3.1Å; P285-R289 WeakPolarHBondContact O-CG 3.3Å |
| 286 | Y | 90.3 | Very high | 95.2 | Very high | 116 Ų | 116 | 45.9 Ų | 45.9 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -55.6 | -46.6 | -176.2 | -179.5 | -92.2 | 0 | 0 | 0 | 112.8 | N288 R289 R636 | Y286-N288 PolarHBondContact O-N 3.4Å; Y286-R289 WeakPolarHBondContact O-CB 3.26Å; Y286-R289 PolarHBondContact O-N 3.45Å; Y286-R636 VanDerWaalsContact CB-NH1 3.32Å; Y286-R636 HydrophobicContact CD1-CG 3.85Å; Y286-R636 HydrophobicContact CE1-CG 4.31Å |
| 287 | E | 88.1 | Confident | 95.2 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -64.3 | -10.5 | -178.9 | 60.5 | -90.2 | -157.1 | 0 | 0 | 114.8 | P285 K635 R636 | P285-E287 VanDerWaalsContact C-N 3.34Å; P285-E287 HydrophobicContact CB-CG 4.39Å; P285-E287 PolarHBondContact O-N 2.87Å; E287-K635 HydrophobicContact CB-CD 4.14Å; E287-K635 HydrophobicContact CB-CG 4.25Å; E287-K635 HydrophobicContact CG-CD 4.49Å; E287-K635 WeakPolarHBondContact O-CE 3.23Å; E287-K635 PolarHBondContact O-NZ 2.83Å; E287-R636 IonicContact OE2-NH1 3.67Å |
| 288 | N | 90.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 48.8 Ų | 48.8 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -106.4 | 2.2 | 177.2 | -68.9 | -8.3 | 0 | 0 | 0 | 112.6 | I284 P285 Y286 T290 K635 | I284-N288 HydrophobicContact CG2-CB 4.08Å; P285-N288 PolarHBondContact O-N 2.8Å; P285-N288 VanDerWaalsContact O-N 3.1Å; Y286-N288 PolarHBondContact O-N 3.4Å; N288-T290 PolarHBondContact O-N 2.65Å; N288-K635 PolarHBondContact OD1-NZ 3.27Å |
| 289 | R | 92.4 | Very high | 95.2 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | trans | -98.7 | 62.1 | -176.1 | -67.8 | 168.2 | 54.9 | 89.6 | 10.3 | 111.9 | D221 I284 P285 Y286 M294 | D221-R289 IonicContact OD1-CZ 3.43Å; D221-R289 IonicContact OD1-NH1 3.45Å; D221-R289 PolarHBondContact OD1-NH1 2.78Å; D221-R289 IonicContact OD1-NH2 3.85Å; D221-R289 PolarHBondContact OD1-NH2 3.5Å; D221-R289 IonicContact OD2-CZ 2.78Å; D221-R289 IonicContact OD2-NH2 2.64Å; D221-R289 PolarHBondContact OD2-NH2 3.36Å; I284-R289 HydrophobicContact CB-CG 4.11Å; I284-R289 HydrophobicContact CG2-CG 3.66Å; I284-R289 WeakPolarHBondContact O-CD 3.36Å; P285-R289 WeakPolarHBondContact O-CG 3.3Å; Y286-R289 WeakPolarHBondContact O-CB 3.26Å; Y286-R289 PolarHBondContact O-N 3.45Å; R289-M294 HydrophobicContact CB-CE 4.41Å; R289-M294 HydrophobicContact CB-CG 4.19Å; R289-M294 HydrophobicContact CB-SD 3.86Å; R289-M294 HydrophobicContact CG-CE 4.25Å; R289-M294 HydrophobicContact CG-SD 3.87Å | ||
| 290 | T | 91.5 | Very high | 95.2 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | trans | -74.6 | 151.9 | 177.3 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | N288 E292 V293 M294 | N288-T290 PolarHBondContact O-N 2.65Å; T290-E292 VanDerWaalsContact C-N 3.26Å; T290-E292 VanDerWaalsContact CB-OE2 3.3Å; T290-E292 WeakPolarHBondContact CB-OE2 3.46Å; T290-E292 PolarHBondContact O-N 3.11Å; T290-E292 PolarHBondContact OG1-OE2 2.74Å; T290-V293 PolarHBondContact O-N 3.41Å; T290-V293 WeakPolarHBondContact OG1-CG2 3.27Å; T290-M294 WeakPolarHBondContact O-CG 3.47Å; T290-M294 PolarHBondContact O-N 3.49Å | ||
| 291 | S | 92.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -37 | -177.6 | -74.8 | 0 | 0 | 0 | 0 | 114.7 | Y295 N587 Y591 | S291-Y295 PolarHBondContact O-N 2.56Å; S291-N587 PolarHBondContact OG-OD1 3.12Å; S291-Y591 WeakPolarHBondContact CB-OH 3.39Å; S291-Y591 PolarHBondContact OG-OH 3.23Å |
| 292 | E | 91.7 | Very high | 95.2 | Very high | 85 Ų | 85 | 49.2 Ų | 49.2 | 40% | 0.397 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -46.3 | 179.6 | -47.4 | 92.8 | 142 | 0 | 0 | 111.7 | T290 M294 Y295 K590 | T290-E292 VanDerWaalsContact C-N 3.26Å; T290-E292 VanDerWaalsContact CB-OE2 3.3Å; T290-E292 WeakPolarHBondContact CB-OE2 3.46Å; T290-E292 PolarHBondContact O-N 3.11Å; T290-E292 PolarHBondContact OG1-OE2 2.74Å; E292-M294 PolarHBondContact O-N 2.94Å; E292-Y295 PolarHBondContact O-N 3.11Å; E292-Y295 VanDerWaalsContact O-N 3.14Å; E292-K590 WeakPolarHBondContact OE1-CD 3.35Å; E292-K590 WeakPolarHBondContact OE1-CE 3.06Å; E292-K590 IonicContact OE1-NZ 3.62Å; E292-K590 PolarHBondContact OE1-NZ 2.82Å; E292-K590 IonicContact OE2-NZ 2.85Å; E292-K590 PolarHBondContact OE2-NZ 3.25Å |
| 293 | V | 94.1 | Very high | 95.2 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 52% | 0.515 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30.7 | 179.5 | 178.7 | 0 | 0 | 0 | 0 | 111 | T290 Y295 N296 | T290-V293 PolarHBondContact O-N 3.41Å; T290-V293 WeakPolarHBondContact OG1-CG2 3.27Å; V293-Y295 VanDerWaalsContact C-N 3.31Å; V293-N296 PolarHBondContact O-ND2 3.18Å |
| 294 | M | 96.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4.2 | 177.9 | -58.6 | -67.6 | 95.6 | 0 | 0 | 113.5 | I284 R289 T290 E292 N296 R340 V341 | I284-M294 HydrophobicContact CD1-CE 4.35Å; R289-M294 HydrophobicContact CB-CE 4.41Å; R289-M294 HydrophobicContact CB-CG 4.19Å; R289-M294 HydrophobicContact CB-SD 3.86Å; R289-M294 HydrophobicContact CG-CE 4.25Å; R289-M294 HydrophobicContact CG-SD 3.87Å; T290-M294 WeakPolarHBondContact O-CG 3.47Å; T290-M294 PolarHBondContact O-N 3.49Å; E292-M294 PolarHBondContact O-N 2.94Å; M294-N296 PolarHBondContact O-N 3.06Å; M294-R340 HydrophobicContact CB-CB 4.21Å; M294-R340 HydrophobicContact CB-CG 4.41Å; M294-R340 WeakPolarHBondContact CE-O 3.35Å; M294-R340 WeakPolarHBondContact O-CA 2.96Å; M294-R340 HydrophobicContact SD-CB 4.14Å; M294-V341 HydrophobicContact CE-CG1 4.24Å; M294-V341 HydrophobicContact SD-CG1 3.84Å |
| 295 | Y | 97.6 | Very high | 95.3 | Very high | 33 Ų | 33 | 50 Ų | 50 | 13% | 0.129 | 27% | 0.269 | C | S | . | . | trans | -95.5 | 83.5 | 178.9 | -167.5 | -91.2 | 0 | 0 | 0 | 111.5 | D209 D210 K211 S291 E292 V293 K297 I338 L597 | D209-Y295 VanDerWaalsContact OD1-CE2 3.26Å; D209-Y295 WeakPolarHBondContact OD1-CE2 3.33Å; D209-Y295 PolarHBondContact OD1-OH 2.98Å; D209-Y295 PolarHBondContact OD2-OH 3.47Å; D210-Y295 HydrophobicContact CB-CD2 3.79Å; D210-Y295 HydrophobicContact CB-CE2 4.04Å; K211-Y295 HydrophobicContact CB-CE1 4.44Å; K211-Y295 HydrophobicContact CB-CE2 4.09Å; K211-Y295 HydrophobicContact CD-CD1 3.93Å; K211-Y295 HydrophobicContact CD-CE1 3.46Å; K211-Y295 VanDerWaalsContact CD-CE1 3.46Å; K211-Y295 HydrophobicContact CD-CE2 4.38Å; K211-Y295 HydrophobicContact CG-CD1 4.2Å; K211-Y295 HydrophobicContact CG-CD2 4.21Å; K211-Y295 HydrophobicContact CG-CE1 3.78Å; K211-Y295 HydrophobicContact CG-CE2 3.75Å; K211-Y295 HydrophobicContact CG-CG 4.39Å; S291-Y295 PolarHBondContact O-N 2.56Å; E292-Y295 PolarHBondContact O-N 3.11Å; E292-Y295 VanDerWaalsContact O-N 3.14Å; V293-Y295 VanDerWaalsContact C-N 3.31Å; Y295-K297 HydrophobicContact CE1-CB 3.91Å; Y295-K297 WeakPolarHBondContact OH-CD 3.24Å; Y295-I338 HydrophobicContact CD2-CD1 3.84Å; Y295-I338 HydrophobicContact CE2-CD1 3.42Å; Y295-I338 VanDerWaalsContact CE2-CD1 3.42Å; Y295-I338 HydrophobicContact CE2-CG1 4.19Å; Y295-L597 HydrophobicContact CG-CD2 4.43Å | ||
| 296 | N | 98 | Very high | 95.5 | Very high | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.283 | 28% | 0.276 | S | S | . | . | trans | -115.8 | 83.6 | 173.2 | -46.7 | -91.5 | 0 | 0 | 0 | 108.9 | V293 M294 M298 V339 | V293-N296 PolarHBondContact O-ND2 3.18Å; M294-N296 PolarHBondContact O-N 3.06Å; N296-M298 HydrophobicContact CB-CE 4.02Å; N296-V339 VanDerWaalsContact CB-O 3.27Å; N296-V339 WeakPolarHBondContact CB-O 3.4Å; N296-V339 PolarHBondContact ND2-O 3.26Å; N296-V339 PolarHBondContact O-N 3.42Å | ||
| 297 | K | 98.3 | Very high | 95.9 | Very high | 73 Ų | 73 | 46.5 Ų | 46.5 | 32% | 0.317 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.4 | 177.5 | -173.3 | 169.4 | -178.6 | 166.2 | 0 | 109.8 | D209 I217 Y295 V337 I338 | D209-K297 IonicContact OD2-NZ 3.92Å; D209-K297 PolarHBondContact OD2-NZ 3.01Å; I217-K297 HydrophobicContact CD1-CD 4.18Å; I217-K297 HydrophobicContact CD1-CG 4.4Å; Y295-K297 HydrophobicContact CE1-CB 3.91Å; Y295-K297 WeakPolarHBondContact OH-CD 3.24Å; K297-V337 WeakPolarHBondContact CA-O 3.23Å; K297-I338 HydrophobicContact CB-CG1 4.27Å; K297-I338 HydrophobicContact CG-CG1 4.48Å |
| 298 | M | 98.4 | Very high | 96.3 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 165.1 | 178.4 | 61.7 | -171 | 73.2 | 0 | 0 | 108.9 | N296 E302 L303 M306 V337 V339 | N296-M298 HydrophobicContact CB-CE 4.02Å; M298-E302 VanDerWaalsContact CA-OE2 3.24Å; M298-E302 WeakPolarHBondContact CA-OE2 3.48Å; M298-E302 HydrophobicContact CB-CB 4.07Å; M298-E302 VanDerWaalsContact CB-OE2 3.25Å; M298-E302 WeakPolarHBondContact CB-OE2 3.5Å; M298-L303 HydrophobicContact CG-CB 4.31Å; M298-L303 HydrophobicContact SD-CB 3.89Å; M298-L303 HydrophobicContact SD-CD1 4.2Å; M298-M306 HydrophobicContact CE-CE 3.86Å; M298-M306 HydrophobicContact SD-CE 4.1Å; M298-V337 HydrophobicContact CG-CG2 4.16Å; M298-V337 PolarHBondContact N-O 3.37Å; M298-V337 WeakPolarHBondContact O-CG2 3.27Å; M298-V337 PolarHBondContact O-N 3.31Å; M298-V339 HydrophobicContact CE-CB 4.1Å; M298-V339 HydrophobicContact CE-CG2 3.98Å; M298-V339 HydrophobicContact CG-CG2 3.96Å; M298-V339 HydrophobicContact SD-CB 4.47Å; M298-V339 HydrophobicContact SD-CG2 3.73Å |
| 299 | N | 98.6 | Very high | 96.5 | Very high | 34 Ų | 34 | 48.8 Ų | 48.8 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 164.4 | 169.7 | 63.6 | 56.5 | 0 | 0 | 0 | 112 | S301 E302 L303 E335 | N299-S301 PolarHBondContact O-N 2.95Å; N299-S301 WeakPolarHBondContact OD1-CA 3.49Å; N299-S301 VanDerWaalsContact OD1-CB 3.24Å; N299-S301 WeakPolarHBondContact OD1-CB 3.2Å; N299-S301 PolarHBondContact OD1-N 2.78Å; N299-S301 VanDerWaalsContact OD1-N 3.12Å; N299-E302 PolarHBondContact N-OE2 3.46Å; N299-E302 PolarHBondContact ND2-OE1 3.35Å; N299-E302 VanDerWaalsContact ND2-OE1 3.1Å; N299-E302 PolarHBondContact ND2-OE2 3.42Å; N299-E302 PolarHBondContact O-N 2.88Å; N299-E302 WeakPolarHBondContact OD1-CG 3.24Å; N299-E302 PolarHBondContact OD1-N 3.18Å; N299-L303 PolarHBondContact O-N 2.65Å; N299-E335 CarbonylContact C-O 3.43Å; N299-E335 WeakPolarHBondContact CA-O 3.42Å |
| 300 | I | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -33.4 | -179.9 | -67.3 | 176.7 | 0 | 0 | 0 | 111.7 | L303 S304 W312 L313 I316 I331 P333 E335 V337 | I300-L303 PolarHBondContact O-N 3.16Å; I300-S304 WeakPolarHBondContact O-CB 3.39Å; I300-S304 PolarHBondContact O-N 3.27Å; I300-S304 PolarHBondContact O-OG 3.31Å; I300-W312 HydrophobicContact CG2-CB 4.23Å; I300-L313 HydrophobicContact CD1-CD1 3.94Å; I300-L313 HydrophobicContact CG2-CB 3.79Å; I300-L313 HydrophobicContact CG2-CD1 4.25Å; I300-I316 HydrophobicContact CD1-CD1 3.63Å; I300-I316 HydrophobicContact CG1-CD1 4.11Å; I300-I331 HydrophobicContact CD1-CG2 4.11Å; I300-P333 PolarHBondContact N-O 3.23Å; I300-E335 HydrophobicContact CD1-CB 3.68Å; I300-E335 HydrophobicContact CD1-CG 4.17Å; I300-E335 HydrophobicContact CG1-CB 4.12Å; I300-E335 PolarHBondContact N-O 2.92Å; I300-V337 HydrophobicContact CD1-CG1 4.48Å; I300-V337 HydrophobicContact CG1-CG1 3.91Å |
| 301 | S | 98.6 | Very high | 97.1 | Very high | 68 Ų | 68 | 48.7 Ų | 48.7 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 176.6 | -169.1 | 0 | 0 | 0 | 0 | 111.8 | N299 S304 A305 P333 | N299-S301 PolarHBondContact O-N 2.95Å; N299-S301 WeakPolarHBondContact OD1-CA 3.49Å; N299-S301 VanDerWaalsContact OD1-CB 3.24Å; N299-S301 WeakPolarHBondContact OD1-CB 3.2Å; N299-S301 PolarHBondContact OD1-N 2.78Å; N299-S301 VanDerWaalsContact OD1-N 3.12Å; S301-S304 PolarHBondContact O-N 2.95Å; S301-A305 PolarHBondContact O-N 3.12Å; S301-P333 PolarHBondContact N-O 2.76Å |
| 302 | E | 98.6 | Very high | 97.4 | Very high | 98 Ų | 98 | 48.3 Ų | 48.3 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 175.6 | -72.6 | 161.4 | 176.8 | 0 | 0 | 111.7 | M298 N299 S304 A305 M306 | M298-E302 VanDerWaalsContact CA-OE2 3.24Å; M298-E302 WeakPolarHBondContact CA-OE2 3.48Å; M298-E302 HydrophobicContact CB-CB 4.07Å; M298-E302 VanDerWaalsContact CB-OE2 3.25Å; M298-E302 WeakPolarHBondContact CB-OE2 3.5Å; N299-E302 PolarHBondContact N-OE2 3.46Å; N299-E302 PolarHBondContact ND2-OE1 3.35Å; N299-E302 VanDerWaalsContact ND2-OE1 3.1Å; N299-E302 PolarHBondContact ND2-OE2 3.42Å; N299-E302 PolarHBondContact O-N 2.88Å; N299-E302 WeakPolarHBondContact OD1-CG 3.24Å; N299-E302 PolarHBondContact OD1-N 3.18Å; E302-S304 VanDerWaalsContact C-N 3.32Å; E302-S304 PolarHBondContact O-N 2.85Å; E302-A305 PolarHBondContact O-N 3.1Å; E302-M306 WeakPolarHBondContact O-CB 3.33Å; E302-M306 PolarHBondContact O-N 2.93Å |
| 303 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -42.4 | 174.5 | 176.1 | 55.2 | 0 | 0 | 0 | 111.5 | L220 M298 N299 I300 A305 M306 I307 W312 V337 V339 | L220-L303 HydrophobicContact CD1-CD2 3.5Å; L220-L303 VanDerWaalsContact CD1-CD2 3.5Å; M298-L303 HydrophobicContact CG-CB 4.31Å; M298-L303 HydrophobicContact SD-CB 3.89Å; M298-L303 HydrophobicContact SD-CD1 4.2Å; N299-L303 PolarHBondContact O-N 2.65Å; I300-L303 PolarHBondContact O-N 3.16Å; L303-A305 VanDerWaalsContact C-N 3.35Å; L303-M306 PolarHBondContact O-N 3.11Å; L303-I307 HydrophobicContact CD1-CD1 4.12Å; L303-I307 PolarHBondContact O-N 2.85Å; L303-W312 HydrophobicContact CD1-CD2 4.36Å; L303-W312 HydrophobicContact CD1-CZ2 4.1Å; L303-W312 HydrophobicContact CD2-CB 4.26Å; L303-W312 HydrophobicContact CD2-CD2 3.54Å; L303-W312 HydrophobicContact CD2-CE3 3.74Å; L303-W312 HydrophobicContact CD2-CG 3.8Å; L303-W312 HydrophobicContact CD2-CZ3 4.3Å; L303-W312 HydrophobicContact CG-CD2 3.79Å; L303-W312 HydrophobicContact CG-CE3 4.45Å; L303-W312 HydrophobicContact CG-CG 3.81Å; L303-W312 HydrophobicContact CG-CZ2 4.43Å; L303-V337 HydrophobicContact CD2-CG2 4.17Å; L303-V339 HydrophobicContact CD1-CG2 4.03Å; L303-V339 HydrophobicContact CD2-CG2 4.04Å |
| 304 | S | 98.3 | Very high | 97.9 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.3 | -34.6 | 178.4 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | I300 S301 E302 I307 P308 | I300-S304 WeakPolarHBondContact O-CB 3.39Å; I300-S304 PolarHBondContact O-N 3.27Å; I300-S304 PolarHBondContact O-OG 3.31Å; S301-S304 PolarHBondContact O-N 2.95Å; E302-S304 VanDerWaalsContact C-N 3.32Å; E302-S304 PolarHBondContact O-N 2.85Å; S304-I307 CarbonylContact O-C 3.59Å; S304-I307 VanDerWaalsContact O-C 3.31Å; S304-P308 WeakPolarHBondContact O-CA 3.44Å; S304-P308 VanDerWaalsContact O-N 3.14Å |
| 305 | A | 98.1 | Very high | 98 | Very high | 81 Ų | 81 | 42.5 Ų | 42.5 | 67% | 0.669 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -68.4 | -36.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | S301 E302 L303 | S301-A305 PolarHBondContact O-N 3.12Å; E302-A305 PolarHBondContact O-N 3.1Å; L303-A305 VanDerWaalsContact C-N 3.35Å |
| 306 | M | 97.4 | Very high | 98.1 | Very high | 72 Ų | 72 | 40.9 Ų | 40.9 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -72 | -35.2 | 178.3 | -173.1 | -177.8 | -58.9 | 0 | 0 | 112.8 | M298 E302 L303 P342 K346 | M298-M306 HydrophobicContact CE-CE 3.86Å; M298-M306 HydrophobicContact SD-CE 4.1Å; E302-M306 WeakPolarHBondContact O-CB 3.33Å; E302-M306 PolarHBondContact O-N 2.93Å; L303-M306 PolarHBondContact O-N 3.11Å; M306-P342 HydrophobicContact SD-CB 4.16Å; M306-K346 VanDerWaalsContact SD-CE 3.6Å |
| 307 | I | 97.1 | Very high | 98 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -136.9 | 75.9 | -176.2 | -52 | 177.1 | 0 | 0 | 0 | 108.5 | L303 S304 Q309 W312 F345 K346 F349 | L303-I307 HydrophobicContact CD1-CD1 4.12Å; L303-I307 PolarHBondContact O-N 2.85Å; S304-I307 CarbonylContact O-C 3.59Å; S304-I307 VanDerWaalsContact O-C 3.31Å; I307-Q309 PolarHBondContact O-N 2.96Å; I307-W312 HydrophobicContact CB-CZ2 4.31Å; I307-W312 HydrophobicContact CD1-CZ2 3.98Å; I307-W312 HydrophobicContact CG2-CZ2 4.16Å; I307-W312 PolarHBondContact O-NE1 3.5Å; I307-F345 HydrophobicContact CD1-CB 3.43Å; I307-F345 VanDerWaalsContact CD1-CB 3.43Å; I307-K346 HydrophobicContact CD1-CG 4.02Å; I307-K346 HydrophobicContact CG1-CG 3.87Å; I307-F349 HydrophobicContact CG2-CB 4.31Å; I307-F349 HydrophobicContact CG2-CD2 3.6Å; I307-F349 HydrophobicContact CG2-CE2 4.31Å; I307-F349 HydrophobicContact CG2-CG 4.22Å | ||
| 308 | P | 96.9 | Very high | 98 | Very high | 96 Ų | 96 | 45 Ų | 45 | 62% | 0.623 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.4 | -175.5 | 28.7 | -37 | 0 | 0 | 0 | 114 | S304 F310 | S304-P308 WeakPolarHBondContact O-CA 3.44Å; S304-P308 VanDerWaalsContact O-N 3.14Å; P308-F310 PolarHBondContact O-N 3.17Å |
| 309 | Q | 95.8 | Very high | 98 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.4 | -179.2 | -62.2 | 87.2 | -11.4 | 0 | 0 | 113.9 | I307 F349 E353 | I307-Q309 PolarHBondContact O-N 2.96Å; Q309-F349 HydrophobicContact CB-CB 3.95Å; Q309-F349 HydrophobicContact CB-CG 4.47Å; Q309-F349 HydrophobicContact CG-CB 4.47Å; Q309-E353 HydrophobicContact CG-CG 4.3Å; Q309-E353 WeakPolarHBondContact CG-OE1 3.25Å |
| 310 | F | 97.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -132.3 | 132.6 | -174.5 | -170.3 | -107.9 | 0 | 0 | 0 | 112.1 | L185 V186 L189 I202 P308 W312 Y315 F349 | L185-F310 HydrophobicContact CD2-CD2 4.39Å; L185-F310 HydrophobicContact CD2-CE2 4.36Å; L185-F310 HydrophobicContact CG-CE2 4.3Å; V186-F310 HydrophobicContact CB-CE2 4.48Å; V186-F310 HydrophobicContact CG2-CD2 4.02Å; V186-F310 HydrophobicContact CG2-CE2 3.61Å; V186-F310 HydrophobicContact CG2-CZ 4.15Å; L189-F310 HydrophobicContact CD1-CE2 3.9Å; L189-F310 HydrophobicContact CD1-CZ 3.95Å; I202-F310 HydrophobicContact CD1-CD1 4.34Å; I202-F310 HydrophobicContact CD1-CE1 3.66Å; I202-F310 HydrophobicContact CD1-CZ 3.76Å; P308-F310 PolarHBondContact O-N 3.17Å; F310-W312 VanDerWaalsContact C-N 3.34Å; F310-W312 AromaticContact CD1-CD2 3.62Å; F310-W312 HydrophobicContact CD1-CD2 3.62Å; F310-W312 AromaticContact CD1-CE2 3.82Å; F310-W312 AromaticContact CD1-CE3 3.79Å; F310-W312 HydrophobicContact CD1-CE3 3.79Å; F310-W312 HydrophobicContact CD1-CG 4.02Å; F310-W312 HydrophobicContact CD1-CH2 4.38Å; F310-W312 HydrophobicContact CD1-CZ2 4.22Å; F310-W312 HydrophobicContact CD1-CZ3 4.17Å; F310-W312 HydrophobicContact CE1-CD2 4.26Å; F310-W312 AromaticContact CE1-CE3 3.99Å; F310-W312 HydrophobicContact CE1-CE3 3.99Å; F310-W312 HydrophobicContact CE1-CZ3 4.29Å; F310-W312 PolarHBondContact O-N 3.38Å; F310-Y315 AromaticContact CE1-CD1 3.93Å; F310-Y315 HydrophobicContact CE1-CD1 3.93Å; F310-Y315 HydrophobicContact CE1-CD2 4.44Å; F310-Y315 AromaticContact CE1-CG 3.73Å; F310-Y315 HydrophobicContact CE1-CG 3.73Å; F310-Y315 HydrophobicContact CZ-CD1 4.3Å; F310-Y315 HydrophobicContact CZ-CD2 4.02Å; F310-Y315 AromaticContact CZ-CG 3.76Å; F310-Y315 HydrophobicContact CZ-CG 3.76Å; F310-F349 HydrophobicContact CB-CD1 3.94Å; F310-F349 HydrophobicContact CB-CD2 4.22Å; F310-F349 HydrophobicContact CB-CE1 3.52Å; F310-F349 HydrophobicContact CB-CE2 3.82Å; F310-F349 HydrophobicContact CB-CG 4.28Å; F310-F349 HydrophobicContact CB-CZ 3.43Å; F310-F349 VanDerWaalsContact CB-CZ 3.43Å; F310-F349 HydrophobicContact CD1-CE1 4.31Å; F310-F349 HydrophobicContact CD1-CE2 4.29Å; F310-F349 AromaticContact CD1-CZ 3.66Å; F310-F349 HydrophobicContact CD1-CZ 3.66Å; F310-F349 HydrophobicContact CD2-CD1 4.24Å; F310-F349 AromaticContact CD2-CE1 3.23Å; F310-F349 HydrophobicContact CD2-CE1 3.23Å; F310-F349 AromaticContact CD2-CZ 3.43Å; F310-F349 HydrophobicContact CD2-CZ 3.43Å; F310-F349 VanDerWaalsContact CD2-CZ 3.43Å; F310-F349 HydrophobicContact CE1-CZ 4.21Å; F310-F349 AromaticContact CE2-CE1 3.96Å; F310-F349 HydrophobicContact CE2-CE1 3.96Å; F310-F349 HydrophobicContact CE2-CZ 4.02Å; F310-F349 HydrophobicContact CG-CD1 4.33Å; F310-F349 AromaticContact CG-CE1 3.43Å; F310-F349 HydrophobicContact CG-CE1 3.43Å; F310-F349 VanDerWaalsContact CG-CE1 3.43Å; F310-F349 AromaticContact CG-CE2 4Å; F310-F349 HydrophobicContact CG-CE2 4Å; F310-F349 AromaticContact CG-CZ 3.21Å; F310-F349 HydrophobicContact CG-CZ 3.21Å; F310-F349 HydrophobicContact CZ-CZ 4.37Å |
| 311 | D | 98.2 | Very high | 97.7 | Very high | 88 Ų | 88 | 44.1 Ų | 44.1 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | trans | -77.5 | 83 | 175.6 | 177.2 | 15.6 | 0 | 0 | 0 | 110.6 | V186 G314 Y315 | V186-D311 HydrophobicContact CG2-CB 4.14Å; D311-G314 WeakPolarHBondContact OD1-CA 3.37Å; D311-G314 PolarHBondContact OD1-N 3.05Å; D311-G314 WeakPolarHBondContact OD2-CA 3.12Å; D311-Y315 VanDerWaalsContact O-CB 3.27Å; D311-Y315 WeakPolarHBondContact O-CB 3.07Å; D311-Y315 PolarHBondContact O-N 3.46Å | ||
| 312 | W | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | -179.1 | -65.7 | 98.7 | 0 | 0 | 0 | 112.9 | I202 L220 I300 L303 I307 F310 Y315 I316 F345 F349 | I202-W312 HydrophobicContact CD1-CH2 4.29Å; I202-W312 HydrophobicContact CD1-CZ3 4Å; I202-W312 HydrophobicContact CG2-CZ3 4.35Å; L220-W312 HydrophobicContact CD1-CE3 3.87Å; L220-W312 HydrophobicContact CD1-CZ3 3.77Å; L220-W312 HydrophobicContact CD2-CZ3 4.21Å; I300-W312 HydrophobicContact CG2-CB 4.23Å; L303-W312 HydrophobicContact CD1-CD2 4.36Å; L303-W312 HydrophobicContact CD1-CZ2 4.1Å; L303-W312 HydrophobicContact CD2-CB 4.26Å; L303-W312 HydrophobicContact CD2-CD2 3.54Å; L303-W312 HydrophobicContact CD2-CE3 3.74Å; L303-W312 HydrophobicContact CD2-CG 3.8Å; L303-W312 HydrophobicContact CD2-CZ3 4.3Å; L303-W312 HydrophobicContact CG-CD2 3.79Å; L303-W312 HydrophobicContact CG-CE3 4.45Å; L303-W312 HydrophobicContact CG-CG 3.81Å; L303-W312 HydrophobicContact CG-CZ2 4.43Å; I307-W312 HydrophobicContact CB-CZ2 4.31Å; I307-W312 HydrophobicContact CD1-CZ2 3.98Å; I307-W312 HydrophobicContact CG2-CZ2 4.16Å; I307-W312 PolarHBondContact O-NE1 3.5Å; F310-W312 VanDerWaalsContact C-N 3.34Å; F310-W312 AromaticContact CD1-CD2 3.62Å; F310-W312 HydrophobicContact CD1-CD2 3.62Å; F310-W312 AromaticContact CD1-CE2 3.82Å; F310-W312 AromaticContact CD1-CE3 3.79Å; F310-W312 HydrophobicContact CD1-CE3 3.79Å; F310-W312 HydrophobicContact CD1-CG 4.02Å; F310-W312 HydrophobicContact CD1-CH2 4.38Å; F310-W312 HydrophobicContact CD1-CZ2 4.22Å; F310-W312 HydrophobicContact CD1-CZ3 4.17Å; F310-W312 HydrophobicContact CE1-CD2 4.26Å; F310-W312 AromaticContact CE1-CE3 3.99Å; F310-W312 HydrophobicContact CE1-CE3 3.99Å; F310-W312 HydrophobicContact CE1-CZ3 4.29Å; F310-W312 PolarHBondContact O-N 3.38Å; W312-Y315 PolarHBondContact O-N 3.31Å; W312-I316 WeakPolarHBondContact O-CG1 3.39Å; W312-I316 PolarHBondContact O-N 3.35Å; W312-F345 HydrophobicContact CH2-CB 4.23Å; W312-F345 HydrophobicContact CH2-CD1 4.01Å; W312-F345 HydrophobicContact CH2-CD2 4.13Å; W312-F345 HydrophobicContact CH2-CE1 4.39Å; W312-F345 HydrophobicContact CH2-CE2 4.48Å; W312-F345 AromaticContact CH2-CG 3.88Å; W312-F345 HydrophobicContact CH2-CG 3.88Å; W312-F345 HydrophobicContact CZ2-CB 4.32Å; W312-F345 HydrophobicContact CZ2-CG 4.44Å; W312-F349 AromaticContact CH2-CE2 3.74Å; W312-F349 HydrophobicContact CH2-CE2 3.74Å; W312-F349 HydrophobicContact CH2-CZ 4.38Å; W312-F349 HydrophobicContact CZ2-CD2 4.25Å; W312-F349 AromaticContact CZ2-CE2 3.52Å; W312-F349 HydrophobicContact CZ2-CE2 3.52Å; W312-F349 HydrophobicContact CZ2-CZ 4.33Å |
| 313 | L | 98.4 | Very high | 97.3 | Very high | 35 Ų | 35 | 48.4 Ų | 48.4 | 18% | 0.183 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -47.7 | 179.7 | -176.6 | 59.4 | 0 | 0 | 0 | 110.8 | I300 Y315 I316 K317 I331 P333 | I300-L313 HydrophobicContact CD1-CD1 3.94Å; I300-L313 HydrophobicContact CG2-CB 3.79Å; I300-L313 HydrophobicContact CG2-CD1 4.25Å; L313-Y315 VanDerWaalsContact C-N 3.33Å; L313-Y315 PolarHBondContact O-N 3.23Å; L313-I316 PolarHBondContact O-N 2.9Å; L313-K317 HydrophobicContact CD1-CD 4.37Å; L313-K317 HydrophobicContact CD1-CG 4.36Å; L313-K317 HydrophobicContact CG-CD 4.3Å; L313-K317 WeakPolarHBondContact O-CB 3.43Å; L313-K317 WeakPolarHBondContact O-CG 3.41Å; L313-K317 PolarHBondContact O-N 2.84Å; L313-I331 HydrophobicContact CD1-CG2 4.29Å; L313-P333 HydrophobicContact CD2-CG 3.94Å |
| 314 | G | 98 | Very high | 97.1 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -37.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | D311 K318 | D311-G314 WeakPolarHBondContact OD1-CA 3.37Å; D311-G314 PolarHBondContact OD1-N 3.05Å; D311-G314 WeakPolarHBondContact OD2-CA 3.12Å; G314-K318 VanDerWaalsContact O-CB 3.31Å; G314-K318 WeakPolarHBondContact O-CB 3.3Å; G314-K318 WeakPolarHBondContact O-CD 3.26Å; G314-K318 WeakPolarHBondContact O-CG 3.39Å; G314-K318 PolarHBondContact O-N 2.85Å |
| 315 | Y | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -54.8 | 172.6 | 171.8 | -114.9 | 0 | 0 | 0 | 111.7 | L189 A190 I202 L204 F310 D311 W312 L313 K317 K318 V319 | L189-Y315 HydrophobicContact CB-CD2 4.14Å; L189-Y315 HydrophobicContact CB-CE2 3.73Å; A190-Y315 HydrophobicContact CB-CD2 3.95Å; A190-Y315 HydrophobicContact CB-CE2 4.22Å; I202-Y315 HydrophobicContact CD1-CE1 4.4Å; I202-Y315 HydrophobicContact CG2-CE1 4.14Å; L204-Y315 HydrophobicContact CB-CE1 4.16Å; L204-Y315 HydrophobicContact CD2-CE1 3.88Å; F310-Y315 AromaticContact CE1-CD1 3.93Å; F310-Y315 HydrophobicContact CE1-CD1 3.93Å; F310-Y315 HydrophobicContact CE1-CD2 4.44Å; F310-Y315 AromaticContact CE1-CG 3.73Å; F310-Y315 HydrophobicContact CE1-CG 3.73Å; F310-Y315 HydrophobicContact CZ-CD1 4.3Å; F310-Y315 HydrophobicContact CZ-CD2 4.02Å; F310-Y315 AromaticContact CZ-CG 3.76Å; F310-Y315 HydrophobicContact CZ-CG 3.76Å; D311-Y315 VanDerWaalsContact O-CB 3.27Å; D311-Y315 WeakPolarHBondContact O-CB 3.07Å; D311-Y315 PolarHBondContact O-N 3.46Å; W312-Y315 PolarHBondContact O-N 3.31Å; L313-Y315 VanDerWaalsContact C-N 3.33Å; L313-Y315 PolarHBondContact O-N 3.23Å; Y315-K317 PolarHBondContact O-N 3.34Å; Y315-K318 PolarHBondContact O-N 2.65Å; Y315-V319 HydrophobicContact CD2-CG2 4.03Å; Y315-V319 HydrophobicContact CE1-CG2 4.41Å; Y315-V319 HydrophobicContact CE2-CG2 3.6Å; Y315-V319 WeakPolarHBondContact O-CG2 3.19Å; Y315-V319 PolarHBondContact O-N 3.46Å |
| 316 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | -178.4 | -69.8 | 165.3 | 0 | 0 | 0 | 110.8 | L204 L218 I300 W312 L313 K318 V319 I320 I331 V337 | L204-I316 HydrophobicContact CD2-CG1 4.03Å; L218-I316 HydrophobicContact CD1-CG2 4.16Å; I300-I316 HydrophobicContact CD1-CD1 3.63Å; I300-I316 HydrophobicContact CG1-CD1 4.11Å; W312-I316 WeakPolarHBondContact O-CG1 3.39Å; W312-I316 PolarHBondContact O-N 3.35Å; L313-I316 PolarHBondContact O-N 2.9Å; I316-K318 VanDerWaalsContact C-N 3.29Å; I316-K318 PolarHBondContact O-N 3.24Å; I316-V319 PolarHBondContact O-N 2.6Å; I316-I320 HydrophobicContact CG2-CD1 3.89Å; I316-I320 PolarHBondContact O-N 3.5Å; I316-I331 HydrophobicContact CG2-CG2 4.18Å; I316-V337 HydrophobicContact CD1-CG1 4.4Å |
| 317 | K | 97.5 | Very high | 96.6 | Very high | 102 Ų | 102 | 53.4 Ų | 53.4 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -35.6 | 177.1 | -77.7 | -173.3 | 172.5 | -173.4 | 0 | 113.6 | L313 Y315 I331 | L313-K317 HydrophobicContact CD1-CD 4.37Å; L313-K317 HydrophobicContact CD1-CG 4.36Å; L313-K317 HydrophobicContact CG-CD 4.3Å; L313-K317 WeakPolarHBondContact O-CB 3.43Å; L313-K317 WeakPolarHBondContact O-CG 3.41Å; L313-K317 PolarHBondContact O-N 2.84Å; Y315-K317 PolarHBondContact O-N 3.34Å; K317-I331 WeakPolarHBondContact CE-O 3.29Å; K317-I331 PolarHBondContact NZ-O 3.47Å |
| 318 | K | 97.3 | Very high | 96.6 | Very high | 109 Ų | 109 | 53.7 Ų | 53.7 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -78.1 | -25.3 | 178.3 | -76.1 | 169.6 | 177 | -75.4 | 0 | 113 | V186 A190 G314 Y315 I316 | V186-K318 HydrophobicContact CG1-CD 4.06Å; A190-K318 HydrophobicContact CB-CB 3.48Å; A190-K318 VanDerWaalsContact CB-CB 3.48Å; A190-K318 HydrophobicContact CB-CD 4.46Å; G314-K318 VanDerWaalsContact O-CB 3.31Å; G314-K318 WeakPolarHBondContact O-CB 3.3Å; G314-K318 WeakPolarHBondContact O-CD 3.26Å; G314-K318 WeakPolarHBondContact O-CG 3.39Å; G314-K318 PolarHBondContact O-N 2.85Å; Y315-K318 PolarHBondContact O-N 2.65Å; I316-K318 VanDerWaalsContact C-N 3.29Å; I316-K318 PolarHBondContact O-N 3.24Å |
| 319 | V | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.9 | -43.7 | 177 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | A190 R193 L204 Y315 I316 Q513 F516 | A190-V319 HydrophobicContact CB-CG2 3.89Å; R193-V319 HydrophobicContact CB-CG1 4.41Å; R193-V319 HydrophobicContact CB-CG2 4.19Å; R193-V319 HydrophobicContact CG-CG1 3.77Å; R193-V319 HydrophobicContact CG-CG2 4.25Å; L204-V319 HydrophobicContact CD2-CB 4.21Å; L204-V319 HydrophobicContact CD2-CG1 4.06Å; L204-V319 HydrophobicContact CD2-CG2 4.22Å; Y315-V319 HydrophobicContact CD2-CG2 4.03Å; Y315-V319 HydrophobicContact CE1-CG2 4.41Å; Y315-V319 HydrophobicContact CE2-CG2 3.6Å; Y315-V319 WeakPolarHBondContact O-CG2 3.19Å; Y315-V319 PolarHBondContact O-N 3.46Å; I316-V319 PolarHBondContact O-N 2.6Å; V319-Q513 PolarHBondContact O-NE2 2.99Å; V319-F516 HydrophobicContact CG1-CE2 3.64Å; V319-F516 HydrophobicContact CG1-CZ 3.52Å |
| 320 | I | 97.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -79.1 | 129 | -176 | -61.4 | 169.8 | 0 | 0 | 0 | 109.3 | I316 P322 Y325 L328 I331 F516 | I316-I320 HydrophobicContact CG2-CD1 3.89Å; I316-I320 PolarHBondContact O-N 3.5Å; I320-P322 WeakPolarHBondContact O-CD 3.32Å; I320-Y325 HydrophobicContact CG2-CD2 4.43Å; I320-L328 HydrophobicContact CG2-CB 4.05Å; I320-L328 HydrophobicContact CG2-CD1 4.12Å; I320-I331 HydrophobicContact CD1-CD1 3.36Å; I320-F516 HydrophobicContact CD1-CD1 3.96Å; I320-F516 HydrophobicContact CD1-CE1 4.03Å; I320-F516 HydrophobicContact CG1-CD1 3.73Å; I320-F516 HydrophobicContact CG1-CD2 4.23Å; I320-F516 HydrophobicContact CG1-CE1 3.71Å; I320-F516 HydrophobicContact CG1-CE2 4.22Å; I320-F516 HydrophobicContact CG1-CG 4.01Å; I320-F516 HydrophobicContact CG1-CZ 3.98Å |
| 321 | D | 95.5 | Very high | 96 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | trans | -87.1 | 104.1 | 172.7 | -167.1 | -24.3 | 0 | 0 | 0 | 110.1 | R323 L324 Y325 | D321-R323 PolarHBondContact O-N 3.49Å; D321-R323 VanDerWaalsContact O-N 3.07Å; D321-R323 VanDerWaalsContact OD1-CB 3.28Å; D321-R323 WeakPolarHBondContact OD1-CB 3.27Å; D321-R323 WeakPolarHBondContact OD1-CG 3.44Å; D321-R323 IonicContact OD1-CZ 3.4Å; D321-R323 PolarHBondContact OD1-N 2.89Å; D321-R323 IonicContact OD1-NE 2.65Å; D321-R323 PolarHBondContact OD1-NE 3.1Å; D321-R323 IonicContact OD1-NH2 2.84Å; D321-R323 IonicContact OD2-CZ 3.88Å; D321-R323 IonicContact OD2-NE 3.77Å; D321-R323 PolarHBondContact OD2-NE 3.36Å; D321-R323 IonicContact OD2-NH2 2.78Å; D321-R323 PolarHBondContact OD2-NH2 3.29Å; D321-L324 HydrophobicContact CB-CB 4.5Å; D321-L324 HydrophobicContact CB-CD1 4.17Å; D321-L324 HydrophobicContact CB-CG 4.24Å; D321-L324 PolarHBondContact O-N 3.37Å; D321-Y325 PolarHBondContact O-N 2.05Å | ||
| 322 | P | 94 | Very high | 96 | Very high | 60 Ų | 60 | 54.7 Ų | 54.7 | 39% | 0.39 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -8.9 | -177.2 | 30.4 | -37.5 | 0 | 0 | 0 | 113.2 | I320 L324 Y325 P326 K329 | I320-P322 WeakPolarHBondContact O-CD 3.32Å; P322-L324 VanDerWaalsContact C-N 3.34Å; P322-Y325 CarbonylContact O-C 3.54Å; P322-P326 VanDerWaalsContact O-CA 3.28Å; P322-P326 WeakPolarHBondContact O-CA 3.31Å; P322-K329 HydrophobicContact CB-CB 4.14Å; P322-K329 HydrophobicContact CB-CG 4.31Å |
| 323 | R | 94.3 | Very high | 96 | Very high | 196 Ų | 196 | 58 Ų | 58 | 74% | 0.74 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -27.6 | 172 | -59.2 | 172.1 | -66.4 | -174.4 | -0.4 | 111.9 | D321 | D321-R323 PolarHBondContact O-N 3.49Å; D321-R323 VanDerWaalsContact O-N 3.07Å; D321-R323 VanDerWaalsContact OD1-CB 3.28Å; D321-R323 WeakPolarHBondContact OD1-CB 3.27Å; D321-R323 WeakPolarHBondContact OD1-CG 3.44Å; D321-R323 IonicContact OD1-CZ 3.4Å; D321-R323 PolarHBondContact OD1-N 2.89Å; D321-R323 IonicContact OD1-NE 2.65Å; D321-R323 PolarHBondContact OD1-NE 3.1Å; D321-R323 IonicContact OD1-NH2 2.84Å; D321-R323 IonicContact OD2-CZ 3.88Å; D321-R323 IonicContact OD2-NE 3.77Å; D321-R323 PolarHBondContact OD2-NE 3.36Å; D321-R323 IonicContact OD2-NH2 2.78Å; D321-R323 PolarHBondContact OD2-NH2 3.29Å |
| 324 | L | 93.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -34.9 | 175.6 | -63.7 | 178.7 | 0 | 0 | 0 | 111.3 | D321 P322 Q513 | D321-L324 HydrophobicContact CB-CB 4.5Å; D321-L324 HydrophobicContact CB-CD1 4.17Å; D321-L324 HydrophobicContact CB-CG 4.24Å; D321-L324 PolarHBondContact O-N 3.37Å; P322-L324 VanDerWaalsContact C-N 3.34Å; L324-Q513 HydrophobicContact CD1-CB 3.86Å; L324-Q513 HydrophobicContact CD1-CG 3.81Å |
| 325 | Y | 94.9 | Very high | 96 | Very high | 25 Ų | 25 | 61.3 Ų | 61.3 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | trans | -130.9 | 74.6 | -178 | -46.1 | -65.1 | 0 | 0 | 0 | 111.1 | I320 D321 P322 E327 L328 Q513 F516 Y517 | I320-Y325 HydrophobicContact CG2-CD2 4.43Å; D321-Y325 PolarHBondContact O-N 2.05Å; P322-Y325 CarbonylContact O-C 3.54Å; Y325-E327 VanDerWaalsContact C-OE2 3.23Å; Y325-E327 WeakPolarHBondContact CA-OE2 3.18Å; Y325-E327 PolarHBondContact O-N 3.48Å; Y325-L328 HydrophobicContact CD2-CD1 4.46Å; Y325-L328 HydrophobicContact CG-CD1 4.17Å; Y325-L328 PolarHBondContact O-N 3.32Å; Y325-Q513 HydrophobicContact CE2-CB 4Å; Y325-Q513 WeakPolarHBondContact CE2-O 3.39Å; Y325-Q513 PolarHBondContact OH-O 3.37Å; Y325-F516 HydrophobicContact CD2-CB 3.91Å; Y325-F516 HydrophobicContact CE2-CB 3.8Å; Y325-Y517 HydrophobicContact CE1-CD2 4.17Å; Y325-Y517 HydrophobicContact CE1-CG 4.45Å | ||
| 326 | P | 95 | Very high | 95.9 | Very high | 83 Ų | 83 | 64.8 Ų | 64.8 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -56 | -32.8 | -178.1 | -25.5 | 35.4 | 0 | 0 | 0 | 113.9 | P322 L328 K329 | P322-P326 VanDerWaalsContact O-CA 3.28Å; P322-P326 WeakPolarHBondContact O-CA 3.31Å; P326-L328 PolarHBondContact O-N 3.3Å; P326-K329 WeakPolarHBondContact O-CB 3.38Å; P326-K329 PolarHBondContact O-N 2.97Å; P326-K329 VanDerWaalsContact O-N 3.15Å |
| 327 | E | 94.4 | Very high | 96 | Very high | 104 Ų | 104 | 64.8 Ų | 64.8 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -63.8 | -17 | 176.8 | 70.1 | -81.1 | -164.9 | 0 | 0 | 113.7 | Y325 | Y325-E327 VanDerWaalsContact C-OE2 3.23Å; Y325-E327 WeakPolarHBondContact CA-OE2 3.18Å; Y325-E327 PolarHBondContact O-N 3.48Å |
| 328 | L | 96.2 | Very high | 96 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -99.1 | 1.5 | 178.6 | -55.2 | -175.1 | 0 | 0 | 0 | 113.2 | I320 Y325 P326 D330 I331 F516 L519 R520 | I320-L328 HydrophobicContact CG2-CB 4.05Å; I320-L328 HydrophobicContact CG2-CD1 4.12Å; Y325-L328 HydrophobicContact CD2-CD1 4.46Å; Y325-L328 HydrophobicContact CG-CD1 4.17Å; Y325-L328 PolarHBondContact O-N 3.32Å; P326-L328 PolarHBondContact O-N 3.3Å; L328-D330 PolarHBondContact O-N 3.35Å; L328-I331 HydrophobicContact CB-CD1 4.06Å; L328-I331 WeakPolarHBondContact O-CG1 3.26Å; L328-I331 PolarHBondContact O-N 3.32Å; L328-F516 HydrophobicContact CD1-CB 4.1Å; L328-L519 HydrophobicContact CD1-CB 4.09Å; L328-L519 HydrophobicContact CD1-CD2 4.03Å; L328-L519 HydrophobicContact CD2-CB 4.08Å; L328-L519 HydrophobicContact CD2-CD2 3.76Å; L328-L519 HydrophobicContact CD2-CG 3.92Å; L328-R520 HydrophobicContact CD2-CG 3.78Å |
| 329 | K | 93.5 | Very high | 96.1 | Very high | 141 Ų | 141 | 54.8 Ų | 54.8 | 61% | 0.613 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.6 | -179 | -177.2 | -175.8 | 173.3 | -169.3 | 0 | 112.9 | P322 P326 | P322-K329 HydrophobicContact CB-CB 4.14Å; P322-K329 HydrophobicContact CB-CG 4.31Å; P326-K329 WeakPolarHBondContact O-CB 3.38Å; P326-K329 PolarHBondContact O-N 2.97Å; P326-K329 VanDerWaalsContact O-N 3.15Å |
| 330 | D | 89.9 | Confident | 96.1 | Very high | 138 Ų | 138 | 56.3 Ų | 56.3 | 74% | 0.738 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 19.3 | -172.4 | -59.2 | -40.8 | 0 | 0 | 0 | 113.5 | L328 G332 | L328-D330 PolarHBondContact O-N 3.35Å; D330-G332 PolarHBondContact O-N 2.92Å |
| 331 | I | 95.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | trans | -52.3 | 119.1 | 170.5 | -76 | 169.7 | 0 | 0 | 0 | 109 | I300 L313 I316 K317 I320 L328 E335 L519 | I300-I331 HydrophobicContact CD1-CG2 4.11Å; L313-I331 HydrophobicContact CD1-CG2 4.29Å; I316-I331 HydrophobicContact CG2-CG2 4.18Å; K317-I331 WeakPolarHBondContact CE-O 3.29Å; K317-I331 PolarHBondContact NZ-O 3.47Å; I320-I331 HydrophobicContact CD1-CD1 3.36Å; L328-I331 HydrophobicContact CB-CD1 4.06Å; L328-I331 WeakPolarHBondContact O-CG1 3.26Å; L328-I331 PolarHBondContact O-N 3.32Å; I331-E335 HydrophobicContact CG2-CB 4Å; I331-E335 HydrophobicContact CG2-CG 4.02Å; I331-L519 HydrophobicContact CD1-CD2 4.14Å | ||
| 332 | G | 97.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 56 Ų | 56 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | trans | -119.4 | -177.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | D330 S334 E335 | D330-G332 PolarHBondContact O-N 2.92Å; G332-S334 PolarHBondContact O-N 3.41Å; G332-S334 VanDerWaalsContact O-N 3.15Å; G332-E335 VanDerWaalsContact O-CB 3.29Å; G332-E335 WeakPolarHBondContact O-CB 3.19Å; G332-E335 PolarHBondContact O-N 3.34Å | ||
| 333 | P | 98.1 | Very high | 96.4 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 44% | 0.442 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.7 | 176 | -22.8 | 32.3 | 0 | 0 | 0 | 114.2 | I300 S301 L313 E335 | I300-P333 PolarHBondContact N-O 3.23Å; S301-P333 PolarHBondContact N-O 2.76Å; L313-P333 HydrophobicContact CD2-CG 3.94Å; P333-E335 VanDerWaalsContact C-N 3.3Å |
| 334 | S | 98.1 | Very high | 96.6 | Very high | 96 Ų | 96 | 48.7 Ų | 48.7 | 67% | 0.671 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.5 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | G332 N336 | G332-S334 PolarHBondContact O-N 3.41Å; G332-S334 VanDerWaalsContact O-N 3.15Å; S334-N336 PolarHBondContact O-N 3.35Å |
| 335 | E | 98.3 | Very high | 96.8 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | trans | -61.9 | 129.2 | 178.8 | -177.2 | 62.9 | -159.9 | 0 | 0 | 110.8 | L218 N299 I300 I331 G332 P333 R520 | L218-E335 HydrophobicContact CD1-CG 3.96Å; N299-E335 CarbonylContact C-O 3.43Å; N299-E335 WeakPolarHBondContact CA-O 3.42Å; I300-E335 HydrophobicContact CD1-CB 3.68Å; I300-E335 HydrophobicContact CD1-CG 4.17Å; I300-E335 HydrophobicContact CG1-CB 4.12Å; I300-E335 PolarHBondContact N-O 2.92Å; I331-E335 HydrophobicContact CG2-CB 4Å; I331-E335 HydrophobicContact CG2-CG 4.02Å; G332-E335 VanDerWaalsContact O-CB 3.29Å; G332-E335 WeakPolarHBondContact O-CB 3.19Å; G332-E335 PolarHBondContact O-N 3.34Å; P333-E335 VanDerWaalsContact C-N 3.3Å; E335-R520 IonicContact OE1-CZ 3.16Å; E335-R520 IonicContact OE1-NH1 2.68Å; E335-R520 PolarHBondContact OE1-NH1 3.24Å; E335-R520 IonicContact OE1-NH2 2.76Å; E335-R520 PolarHBondContact OE1-NH2 3.44Å; E335-R520 VanDerWaalsContact OE1-NH2 3.11Å; E335-R520 IonicContact OE2-CZ 3.97Å; E335-R520 IonicContact OE2-NH1 3.95Å; E335-R520 IonicContact OE2-NH2 3.18Å; E335-R520 PolarHBondContact OE2-NH2 2.89Å | ||
| 336 | N | 98.4 | Very high | 97 | Very high | 75 Ų | 75 | 47.6 Ų | 47.6 | 40% | 0.401 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 136.9 | 178 | -73 | -52.5 | 0 | 0 | 0 | 111.7 | I217 S334 | I217-N336 HydrophobicContact CD1-CB 4.09Å; S334-N336 PolarHBondContact O-N 3.35Å |
| 337 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.5 | 177 | -59.3 | 0 | 0 | 0 | 0 | 109.8 | L218 K297 M298 I300 L303 I316 V339 | L218-V337 HydrophobicContact CB-CG1 3.97Å; L218-V337 HydrophobicContact CD1-CG1 4.24Å; L218-V337 WeakPolarHBondContact O-CA 3.36Å; K297-V337 WeakPolarHBondContact CA-O 3.23Å; M298-V337 HydrophobicContact CG-CG2 4.16Å; M298-V337 PolarHBondContact N-O 3.37Å; M298-V337 WeakPolarHBondContact O-CG2 3.27Å; M298-V337 PolarHBondContact O-N 3.31Å; I300-V337 HydrophobicContact CD1-CG1 4.48Å; I300-V337 HydrophobicContact CG1-CG1 3.91Å; L303-V337 HydrophobicContact CD2-CG2 4.17Å; I316-V337 HydrophobicContact CD1-CG1 4.4Å; V337-V339 HydrophobicContact CG2-CG2 4Å |
| 338 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 113.6 | 166.7 | -64 | 173.5 | 0 | 0 | 0 | 108.4 | I217 L218 K219 L220 Y295 K297 R340 | I217-I338 HydrophobicContact CD1-CD1 4.28Å; I217-I338 HydrophobicContact CD1-CG1 3.93Å; I217-I338 HydrophobicContact CG1-CG1 4.47Å; I217-I338 HydrophobicContact CG2-CD1 3.6Å; I217-I338 HydrophobicContact CG2-CG1 4.13Å; L218-I338 PolarHBondContact O-N 3.36Å; K219-I338 WeakPolarHBondContact CA-O 3.23Å; K219-I338 HydrophobicContact CG-CB 4.24Å; L220-I338 PolarHBondContact N-O 3.3Å; Y295-I338 HydrophobicContact CD2-CD1 3.84Å; Y295-I338 HydrophobicContact CE2-CD1 3.42Å; Y295-I338 VanDerWaalsContact CE2-CD1 3.42Å; Y295-I338 HydrophobicContact CE2-CG1 4.19Å; K297-I338 HydrophobicContact CB-CG1 4.27Å; K297-I338 HydrophobicContact CG-CG1 4.48Å; I338-R340 HydrophobicContact CG2-CG 4.32Å |
| 339 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 104.1 | 175 | -172 | 0 | 0 | 0 | 0 | 108.1 | L220 N296 M298 L303 V337 V341 P342 F345 | L220-V339 HydrophobicContact CD1-CG2 4.4Å; N296-V339 VanDerWaalsContact CB-O 3.27Å; N296-V339 WeakPolarHBondContact CB-O 3.4Å; N296-V339 PolarHBondContact ND2-O 3.26Å; N296-V339 PolarHBondContact O-N 3.42Å; M298-V339 HydrophobicContact CE-CB 4.1Å; M298-V339 HydrophobicContact CE-CG2 3.98Å; M298-V339 HydrophobicContact CG-CG2 3.96Å; M298-V339 HydrophobicContact SD-CB 4.47Å; M298-V339 HydrophobicContact SD-CG2 3.73Å; L303-V339 HydrophobicContact CD1-CG2 4.03Å; L303-V339 HydrophobicContact CD2-CG2 4.04Å; V337-V339 HydrophobicContact CG2-CG2 4Å; V339-V341 VanDerWaalsContact C-N 3.34Å; V339-V341 PolarHBondContact O-N 2.73Å; V339-P342 HydrophobicContact CG1-CB 4.03Å; V339-F345 HydrophobicContact CG1-CD2 3.68Å; V339-F345 HydrophobicContact CG1-CE2 3.8Å |
| 340 | R | 98.4 | Very high | 97.7 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -69.9 | -33.6 | -175.2 | -63.3 | -173.6 | 65.7 | 94.3 | -1.8 | 112.5 | Y205 D210 L220 D221 M294 I338 | Y205-R340 VanDerWaalsContact OH-CD 3.3Å; Y205-R340 WeakPolarHBondContact OH-CD 3.36Å; D210-R340 IonicContact OD2-NH1 2.77Å; L220-R340 WeakPolarHBondContact O-CB 3.43Å; L220-R340 PolarHBondContact O-N 2.92Å; D221-R340 HydrophobicContact CB-CB 4.28Å; D221-R340 IonicContact OD2-NE 2.67Å; M294-R340 HydrophobicContact CB-CB 4.21Å; M294-R340 HydrophobicContact CB-CG 4.41Å; M294-R340 WeakPolarHBondContact CE-O 3.35Å; M294-R340 WeakPolarHBondContact O-CA 2.96Å; M294-R340 HydrophobicContact SD-CB 4.14Å; I338-R340 HydrophobicContact CG2-CG 4.32Å |
| 341 | V | 97.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -134.4 | 63.9 | -172.3 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | Q222 I284 M294 V339 Q343 Y344 F345 | Q222-V341 HydrophobicContact CB-CG2 4.04Å; Q222-V341 VanDerWaalsContact N-CG2 3.3Å; I284-V341 HydrophobicContact CD1-CB 3.89Å; I284-V341 HydrophobicContact CD1-CG1 3.66Å; I284-V341 HydrophobicContact CG1-CB 4.5Å; I284-V341 HydrophobicContact CG1-CG1 4.21Å; M294-V341 HydrophobicContact CE-CG1 4.24Å; M294-V341 HydrophobicContact SD-CG1 3.84Å; V339-V341 VanDerWaalsContact C-N 3.34Å; V339-V341 PolarHBondContact O-N 2.73Å; V341-Q343 VanDerWaalsContact C-N 3.29Å; V341-Q343 PolarHBondContact O-N 3.03Å; V341-Y344 HydrophobicContact CG2-CD1 3.73Å; V341-Y344 HydrophobicContact CG2-CG 4.15Å; V341-Y344 WeakPolarHBondContact O-CB 3.06Å; V341-Y344 PolarHBondContact O-N 2.82Å; V341-F345 HydrophobicContact CG2-CD2 4.32Å; V341-F345 HydrophobicContact CG2-CE2 3.91Å; V341-F345 HydrophobicContact CG2-CZ 4.1Å; V341-F345 WeakPolarHBondContact O-CD2 3.43Å; V341-F345 PolarHBondContact O-N 2.74Å | ||
| 342 | P | 97.4 | Very high | 98.2 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.6 | -38.5 | -174 | 23.2 | -33.5 | 0 | 0 | 0 | 113 | M306 V339 F345 K346 | M306-P342 HydrophobicContact SD-CB 4.16Å; V339-P342 HydrophobicContact CG1-CB 4.03Å; P342-F345 PolarHBondContact O-N 3.4Å; P342-K346 PolarHBondContact O-N 3.18Å; P342-K346 VanDerWaalsContact O-N 3.11Å |
| 343 | Q | 97.4 | Very high | 98.2 | Very high | 100 Ų | 100 | 40.3 Ų | 40.3 | 47% | 0.467 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 179.2 | -172.5 | 55.7 | 42.5 | 0 | 0 | 112.5 | V341 F345 K346 D347 | V341-Q343 VanDerWaalsContact C-N 3.29Å; V341-Q343 PolarHBondContact O-N 3.03Å; Q343-F345 VanDerWaalsContact C-N 3.27Å; Q343-F345 PolarHBondContact O-N 2.91Å; Q343-K346 WeakPolarHBondContact O-CB 3.29Å; Q343-K346 PolarHBondContact O-N 2.93Å; Q343-D347 PolarHBondContact NE2-OD1 3Å; Q343-D347 PolarHBondContact NE2-OD2 3.5Å; Q343-D347 PolarHBondContact O-N 2.86Å |
| 344 | Y | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.1 | -43.3 | 173.8 | 163.2 | -94.2 | 0 | 0 | 0 | 111.2 | F201 Q222 I279 I282 M283 V341 D347 L348 | F201-Y344 VanDerWaalsContact O-CE1 3.31Å; F201-Y344 WeakPolarHBondContact O-CE1 3.35Å; F201-Y344 PolarHBondContact O-OH 3.02Å; Q222-Y344 HydrophobicContact CB-CD1 3.72Å; Q222-Y344 HydrophobicContact CB-CD2 4.18Å; Q222-Y344 HydrophobicContact CB-CE1 3.55Å; Q222-Y344 HydrophobicContact CB-CE2 4.02Å; Q222-Y344 HydrophobicContact CB-CG 4.03Å; I279-Y344 HydrophobicContact CG2-CE2 4.05Å; I282-Y344 HydrophobicContact CD1-CD2 3.74Å; I282-Y344 HydrophobicContact CD1-CE2 3.88Å; I282-Y344 HydrophobicContact CG1-CD2 3.88Å; I282-Y344 HydrophobicContact CG1-CE2 4.06Å; M283-Y344 HydrophobicContact CG-CD2 4.22Å; M283-Y344 HydrophobicContact CG-CE2 3.83Å; V341-Y344 HydrophobicContact CG2-CD1 3.73Å; V341-Y344 HydrophobicContact CG2-CG 4.15Å; V341-Y344 WeakPolarHBondContact O-CB 3.06Å; V341-Y344 PolarHBondContact O-N 2.82Å; Y344-D347 PolarHBondContact O-N 2.74Å; Y344-L348 HydrophobicContact CE1-CD2 3.97Å; Y344-L348 WeakPolarHBondContact O-CB 3.28Å; Y344-L348 PolarHBondContact O-N 3.15Å |
| 345 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | 179 | -66.9 | -50.8 | 0 | 0 | 0 | 112.6 | I202 L220 D221 I307 W312 V339 V341 P342 Q343 D347 L348 F349 | I202-F345 HydrophobicContact CB-CE1 4.25Å; I202-F345 HydrophobicContact CG1-CD1 4.46Å; I202-F345 HydrophobicContact CG1-CE1 3.94Å; I202-F345 HydrophobicContact CG2-CE1 4.08Å; I202-F345 HydrophobicContact CG2-CZ 4.14Å; L220-F345 HydrophobicContact CB-CE2 3.87Å; L220-F345 HydrophobicContact CB-CZ 4.07Å; D221-F345 WeakPolarHBondContact O-CZ 3.36Å; I307-F345 HydrophobicContact CD1-CB 3.43Å; I307-F345 VanDerWaalsContact CD1-CB 3.43Å; W312-F345 HydrophobicContact CH2-CB 4.23Å; W312-F345 HydrophobicContact CH2-CD1 4.01Å; W312-F345 HydrophobicContact CH2-CD2 4.13Å; W312-F345 HydrophobicContact CH2-CE1 4.39Å; W312-F345 HydrophobicContact CH2-CE2 4.48Å; W312-F345 AromaticContact CH2-CG 3.88Å; W312-F345 HydrophobicContact CH2-CG 3.88Å; W312-F345 HydrophobicContact CZ2-CB 4.32Å; W312-F345 HydrophobicContact CZ2-CG 4.44Å; V339-F345 HydrophobicContact CG1-CD2 3.68Å; V339-F345 HydrophobicContact CG1-CE2 3.8Å; V341-F345 HydrophobicContact CG2-CD2 4.32Å; V341-F345 HydrophobicContact CG2-CE2 3.91Å; V341-F345 HydrophobicContact CG2-CZ 4.1Å; V341-F345 WeakPolarHBondContact O-CD2 3.43Å; V341-F345 PolarHBondContact O-N 2.74Å; P342-F345 PolarHBondContact O-N 3.4Å; Q343-F345 VanDerWaalsContact C-N 3.27Å; Q343-F345 PolarHBondContact O-N 2.91Å; F345-D347 VanDerWaalsContact C-N 3.33Å; F345-D347 PolarHBondContact O-N 3.48Å; F345-L348 HydrophobicContact CD1-CD2 4.19Å; F345-L348 PolarHBondContact O-N 3.06Å; F345-F349 WeakPolarHBondContact O-CD2 3.45Å; F345-F349 PolarHBondContact O-N 2.98Å |
| 346 | K | 98 | Very high | 98.2 | Very high | 84 Ų | 84 | 45.7 Ų | 45.7 | 37% | 0.365 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.8 | -49.2 | 173.6 | -73.3 | 177.8 | 179 | -179.9 | 0 | 111.4 | M306 I307 P342 Q343 R350 | M306-K346 VanDerWaalsContact SD-CE 3.6Å; I307-K346 HydrophobicContact CD1-CG 4.02Å; I307-K346 HydrophobicContact CG1-CG 3.87Å; P342-K346 PolarHBondContact O-N 3.18Å; P342-K346 VanDerWaalsContact O-N 3.11Å; Q343-K346 WeakPolarHBondContact O-CB 3.29Å; Q343-K346 PolarHBondContact O-N 2.93Å; K346-R350 PolarHBondContact O-N 3.08Å |
| 347 | D | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70 | -39.8 | -178.4 | -69.9 | -41.7 | 0 | 0 | 0 | 112.5 | I282 Q343 Y344 F345 R350 I351 | I282-D347 HydrophobicContact CB-CB 4.1Å; I282-D347 HydrophobicContact CD1-CB 3.84Å; I282-D347 HydrophobicContact CG2-CB 3.9Å; Q343-D347 PolarHBondContact NE2-OD1 3Å; Q343-D347 PolarHBondContact NE2-OD2 3.5Å; Q343-D347 PolarHBondContact O-N 2.86Å; Y344-D347 PolarHBondContact O-N 2.74Å; F345-D347 VanDerWaalsContact C-N 3.33Å; F345-D347 PolarHBondContact O-N 3.48Å; D347-R350 PolarHBondContact O-N 2.76Å; D347-R350 IonicContact OD1-CZ 3.21Å; D347-R350 IonicContact OD1-NE 2.87Å; D347-R350 IonicContact OD1-NH2 3.38Å; D347-R350 PolarHBondContact OD1-NH2 2.9Å; D347-I351 WeakPolarHBondContact O-CG1 3.42Å; D347-I351 PolarHBondContact O-N 3.46Å |
| 348 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.5 | -52.6 | 176.4 | 171.3 | 72.7 | 0 | 0 | 0 | 110.8 | F201 I279 I282 Y344 F345 R350 I351 L352 | F201-L348 HydrophobicContact CB-CD1 4.22Å; F201-L348 HydrophobicContact CB-CD2 3.69Å; F201-L348 HydrophobicContact CD1-CD1 3.87Å; F201-L348 HydrophobicContact CE1-CD1 4.47Å; F201-L348 HydrophobicContact CG-CD1 4.14Å; F201-L348 HydrophobicContact CG-CD2 4.4Å; I279-L348 HydrophobicContact CD1-CD1 4.46Å; I279-L348 HydrophobicContact CG1-CD1 4.18Å; I282-L348 HydrophobicContact CD1-CB 3.82Å; I282-L348 VanDerWaalsContact CD1-N 3.31Å; Y344-L348 HydrophobicContact CE1-CD2 3.97Å; Y344-L348 WeakPolarHBondContact O-CB 3.28Å; Y344-L348 PolarHBondContact O-N 3.15Å; F345-L348 HydrophobicContact CD1-CD2 4.19Å; F345-L348 PolarHBondContact O-N 3.06Å; L348-R350 VanDerWaalsContact C-N 3.29Å; L348-R350 PolarHBondContact O-N 3.27Å; L348-I351 WeakPolarHBondContact O-CB 3.49Å; L348-I351 PolarHBondContact O-N 2.76Å; L348-L352 HydrophobicContact CD1-CD1 4.1Å; L348-L352 HydrophobicContact CD1-CG 4.2Å; L348-L352 HydrophobicContact CG-CD1 4.02Å; L348-L352 HydrophobicContact CG-CG 4.38Å; L348-L352 WeakPolarHBondContact O-CG 3.4Å; L348-L352 PolarHBondContact O-N 2.94Å |
| 349 | F | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.3 | -30.9 | -176.6 | -75.5 | -66.8 | 0 | 0 | 0 | 112.5 | L185 I202 I307 Q309 F310 W312 F345 L352 E353 | L185-F349 HydrophobicContact CD2-CE1 4.25Å; I202-F349 HydrophobicContact CD1-CZ 3.93Å; I307-F349 HydrophobicContact CG2-CB 4.31Å; I307-F349 HydrophobicContact CG2-CD2 3.6Å; I307-F349 HydrophobicContact CG2-CE2 4.31Å; I307-F349 HydrophobicContact CG2-CG 4.22Å; Q309-F349 HydrophobicContact CB-CB 3.95Å; Q309-F349 HydrophobicContact CB-CG 4.47Å; Q309-F349 HydrophobicContact CG-CB 4.47Å; F310-F349 HydrophobicContact CB-CD1 3.94Å; F310-F349 HydrophobicContact CB-CD2 4.22Å; F310-F349 HydrophobicContact CB-CE1 3.52Å; F310-F349 HydrophobicContact CB-CE2 3.82Å; F310-F349 HydrophobicContact CB-CG 4.28Å; F310-F349 HydrophobicContact CB-CZ 3.43Å; F310-F349 VanDerWaalsContact CB-CZ 3.43Å; F310-F349 HydrophobicContact CD1-CE1 4.31Å; F310-F349 HydrophobicContact CD1-CE2 4.29Å; F310-F349 AromaticContact CD1-CZ 3.66Å; F310-F349 HydrophobicContact CD1-CZ 3.66Å; F310-F349 HydrophobicContact CD2-CD1 4.24Å; F310-F349 AromaticContact CD2-CE1 3.23Å; F310-F349 HydrophobicContact CD2-CE1 3.23Å; F310-F349 AromaticContact CD2-CZ 3.43Å; F310-F349 HydrophobicContact CD2-CZ 3.43Å; F310-F349 VanDerWaalsContact CD2-CZ 3.43Å; F310-F349 HydrophobicContact CE1-CZ 4.21Å; F310-F349 AromaticContact CE2-CE1 3.96Å; F310-F349 HydrophobicContact CE2-CE1 3.96Å; F310-F349 HydrophobicContact CE2-CZ 4.02Å; F310-F349 HydrophobicContact CG-CD1 4.33Å; F310-F349 AromaticContact CG-CE1 3.43Å; F310-F349 HydrophobicContact CG-CE1 3.43Å; F310-F349 VanDerWaalsContact CG-CE1 3.43Å; F310-F349 AromaticContact CG-CE2 4Å; F310-F349 HydrophobicContact CG-CE2 4Å; F310-F349 AromaticContact CG-CZ 3.21Å; F310-F349 HydrophobicContact CG-CZ 3.21Å; F310-F349 HydrophobicContact CZ-CZ 4.37Å; W312-F349 AromaticContact CH2-CE2 3.74Å; W312-F349 HydrophobicContact CH2-CE2 3.74Å; W312-F349 HydrophobicContact CH2-CZ 4.38Å; W312-F349 HydrophobicContact CZ2-CD2 4.25Å; W312-F349 AromaticContact CZ2-CE2 3.52Å; W312-F349 HydrophobicContact CZ2-CE2 3.52Å; W312-F349 HydrophobicContact CZ2-CZ 4.33Å; F345-F349 WeakPolarHBondContact O-CD2 3.45Å; F345-F349 PolarHBondContact O-N 2.98Å; F349-L352 HydrophobicContact CD1-CD1 4.06Å; F349-L352 HydrophobicContact CE1-CD1 4.16Å; F349-L352 PolarHBondContact O-N 2.74Å; F349-E353 WeakPolarHBondContact O-CG 3.22Å; F349-E353 PolarHBondContact O-N 3.4Å |
| 350 | R | 97.8 | Very high | 98.1 | Very high | 143 Ų | 143 | 50 Ų | 50 | 54% | 0.54 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 168.2 | 179.8 | 175 | 60.3 | 155.6 | -3.2 | 112.5 | K346 D347 L348 N354 | K346-R350 PolarHBondContact O-N 3.08Å; D347-R350 PolarHBondContact O-N 2.76Å; D347-R350 IonicContact OD1-CZ 3.21Å; D347-R350 IonicContact OD1-NE 2.87Å; D347-R350 IonicContact OD1-NH2 3.38Å; D347-R350 PolarHBondContact OD1-NH2 2.9Å; L348-R350 VanDerWaalsContact C-N 3.29Å; L348-R350 PolarHBondContact O-N 3.27Å; R350-N354 PolarHBondContact O-N 3.16Å; R350-N354 PolarHBondContact O-ND2 3.19Å |
| 351 | I | 98.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 174.1 | -70.3 | 163.9 | 0 | 0 | 0 | 110.2 | L275 K278 I282 D347 L348 N354 E355 | L275-I351 HydrophobicContact CD1-CG2 3.69Å; K278-I351 HydrophobicContact CB-CD1 4.14Å; K278-I351 HydrophobicContact CB-CG2 4.29Å; K278-I351 HydrophobicContact CD-CG2 4.11Å; I282-I351 HydrophobicContact CD1-CD1 3.81Å; I282-I351 HydrophobicContact CG1-CD1 4.2Å; I282-I351 HydrophobicContact CG2-CD1 3.98Å; D347-I351 WeakPolarHBondContact O-CG1 3.42Å; D347-I351 PolarHBondContact O-N 3.46Å; L348-I351 WeakPolarHBondContact O-CB 3.49Å; L348-I351 PolarHBondContact O-N 2.76Å; I351-N354 PolarHBondContact O-N 2.88Å; I351-E355 WeakPolarHBondContact O-CB 3.48Å; I351-E355 PolarHBondContact O-N 3Å; I351-E355 VanDerWaalsContact O-N 3.13Å |
| 352 | L | 98.3 | Very high | 98.2 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.6 | -35.3 | -177 | -64.7 | 179.9 | 0 | 0 | 0 | 112.8 | L185 F201 L275 L348 F349 N354 E355 I360 | L185-L352 HydrophobicContact CD2-CD1 4.08Å; F201-L352 HydrophobicContact CD2-CD1 4.05Å; F201-L352 HydrophobicContact CE1-CD2 4.28Å; F201-L352 HydrophobicContact CE2-CD1 4.02Å; F201-L352 HydrophobicContact CE2-CD2 3.98Å; F201-L352 HydrophobicContact CZ-CD2 3.74Å; L275-L352 HydrophobicContact CD1-CD2 4.39Å; L348-L352 HydrophobicContact CD1-CD1 4.1Å; L348-L352 HydrophobicContact CD1-CG 4.2Å; L348-L352 HydrophobicContact CG-CD1 4.02Å; L348-L352 HydrophobicContact CG-CG 4.38Å; L348-L352 WeakPolarHBondContact O-CG 3.4Å; L348-L352 PolarHBondContact O-N 2.94Å; F349-L352 HydrophobicContact CD1-CD1 4.06Å; F349-L352 HydrophobicContact CE1-CD1 4.16Å; F349-L352 PolarHBondContact O-N 2.74Å; L352-N354 VanDerWaalsContact C-N 3.28Å; L352-N354 PolarHBondContact O-N 3.44Å; L352-E355 PolarHBondContact O-N 3.07Å; L352-I360 HydrophobicContact CB-CD1 4.2Å; L352-I360 HydrophobicContact CD2-CD1 4.11Å; L352-I360 HydrophobicContact CD2-CG1 4.05Å; L352-I360 HydrophobicContact CD2-CG2 4.35Å; L352-I360 VanDerWaalsContact O-CD1 3.25Å; L352-I360 WeakPolarHBondContact O-CD1 3.46Å |
| 353 | E | 96.8 | Very high | 98.2 | Very high | 121 Ų | 121 | 47.1 Ų | 47.1 | 57% | 0.565 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -63.3 | -34.4 | 174.5 | -78.5 | -175.9 | 145.2 | 0 | 0 | 113 | Q309 F349 | Q309-E353 HydrophobicContact CG-CG 4.3Å; Q309-E353 WeakPolarHBondContact CG-OE1 3.25Å; F349-E353 WeakPolarHBondContact O-CG 3.22Å; F349-E353 PolarHBondContact O-N 3.4Å |
| 354 | N | 97.1 | Very high | 98.3 | Very high | 132 Ų | 132 | 42.4 Ų | 42.4 | 71% | 0.706 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -2 | -178.3 | -68 | -62.4 | 0 | 0 | 0 | 113.4 | R350 I351 L352 | R350-N354 PolarHBondContact O-N 3.16Å; R350-N354 PolarHBondContact O-ND2 3.19Å; I351-N354 PolarHBondContact O-N 2.88Å; L352-N354 VanDerWaalsContact C-N 3.28Å; L352-N354 PolarHBondContact O-N 3.44Å |
| 355 | E | 98.4 | Very high | 98.3 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -100 | 149.8 | -179.5 | -169.8 | 57.1 | -102.7 | 0 | 0 | 111.3 | L275 K278 I351 L352 K357 T359 I360 | L275-E355 HydrophobicContact CD1-CG 4.14Å; L275-E355 HydrophobicContact CD2-CG 4.33Å; K278-E355 IonicContact NZ-OE2 2.94Å; K278-E355 PolarHBondContact NZ-OE2 2.8Å; I351-E355 WeakPolarHBondContact O-CB 3.48Å; I351-E355 PolarHBondContact O-N 3Å; I351-E355 VanDerWaalsContact O-N 3.13Å; L352-E355 PolarHBondContact O-N 3.07Å; E355-K357 PolarHBondContact O-N 3.4Å; E355-T359 HydrophobicContact CG-CG2 4.03Å; E355-I360 HydrophobicContact CB-CD1 4.27Å; E355-I360 HydrophobicContact CB-CG1 4.21Å; E355-I360 HydrophobicContact CG-CG1 4.16Å |
| 356 | R | 98.3 | Very high | 98.3 | Very high | 134 Ų | 134 | 42.3 Ų | 42.3 | 51% | 0.506 | 19% | 0.189 | S | C | . | . | trans | -64.1 | 131.9 | 179.2 | -63.8 | -176.6 | -62.7 | 171 | 0.2 | 110.2 | S271 K358 T359 I360 | S271-R356 PolarHBondContact OG-NH2 2.94Å; R356-K358 PolarHBondContact O-N 3.04Å; R356-K358 VanDerWaalsContact O-N 3.09Å; R356-T359 WeakPolarHBondContact O-CA 3.21Å; R356-T359 WeakPolarHBondContact O-CB 3.23Å; R356-T359 PolarHBondContact O-N 3.29Å; R356-I360 PolarHBondContact O-N 3.31Å; R356-I360 VanDerWaalsContact O-N 3.09Å | ||
| 357 | K | 98 | Very high | 98.3 | Very high | 103 Ų | 103 | 39.4 Ų | 39.4 | 45% | 0.448 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -52.5 | -36.4 | 176.2 | -71.4 | -178.2 | -178.8 | 173.1 | 0 | 112.9 | W178 E180 F183 E355 I360 A361 | W178-K357 HydrophobicContact CH2-CB 4.26Å; W178-K357 HydrophobicContact CZ2-CB 4.5Å; E180-K357 HydrophobicContact CG-CB 3.97Å; E180-K357 HydrophobicContact CG-CD 3.64Å; E180-K357 HydrophobicContact CG-CG 4.4Å; E180-K357 WeakPolarHBondContact OE1-CD 3.42Å; F183-K357 HydrophobicContact CD1-CB 4.14Å; F183-K357 HydrophobicContact CD1-CD 4.48Å; F183-K357 HydrophobicContact CD1-CG 4.38Å; E355-K357 PolarHBondContact O-N 3.4Å; K357-I360 PolarHBondContact O-N 2.85Å; K357-A361 WeakPolarHBondContact O-CB 3.28Å; K357-A361 PolarHBondContact O-N 2.59Å |
| 358 | K | 97.9 | Very high | 98.2 | Very high | 54 Ų | 54 | 38.1 Ų | 38.1 | 24% | 0.235 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 173.9 | -172.3 | -175.9 | 177.3 | -156.5 | 0 | 112.1 | P166 W178 D268 R356 A361 N362 | P166-K358 HydrophobicContact CB-CD 4.32Å; P166-K358 HydrophobicContact CB-CG 3.65Å; P166-K358 HydrophobicContact CG-CG 4.15Å; W178-K358 HydrophobicContact CH2-CB 4.04Å; W178-K358 HydrophobicContact CZ3-CB 4.11Å; W178-K358 HydrophobicContact CZ3-CG 4.34Å; D268-K358 VanDerWaalsContact CG-NZ 3.26Å; D268-K358 IonicContact OD1-NZ 2.74Å; D268-K358 PolarHBondContact OD1-NZ 3.08Å; D268-K358 WeakPolarHBondContact OD2-CE 3.16Å; D268-K358 IonicContact OD2-NZ 3.46Å; D268-K358 PolarHBondContact OD2-NZ 3.27Å; R356-K358 PolarHBondContact O-N 3.04Å; R356-K358 VanDerWaalsContact O-N 3.09Å; K358-A361 PolarHBondContact O-N 3.14Å; K358-N362 WeakPolarHBondContact O-CB 3.21Å; K358-N362 PolarHBondContact O-N 3.24Å |
| 359 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.4 | -42.7 | 178.7 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | L275 E355 R356 N362 Y363 | L275-T359 HydrophobicContact CB-CG2 4.19Å; L275-T359 HydrophobicContact CD2-CG2 4.16Å; E355-T359 HydrophobicContact CG-CG2 4.03Å; R356-T359 WeakPolarHBondContact O-CA 3.21Å; R356-T359 WeakPolarHBondContact O-CB 3.23Å; R356-T359 PolarHBondContact O-N 3.29Å; T359-N362 PolarHBondContact O-N 2.51Å; T359-Y363 PolarHBondContact O-N 3.28Å |
| 360 | I | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | 175.2 | -58.2 | 170.6 | 0 | 0 | 0 | 110.5 | F183 L185 F201 L275 L352 E355 R356 K357 N362 Y363 L364 | F183-I360 HydrophobicContact CE1-CG2 4.34Å; F183-I360 HydrophobicContact CZ-CG2 4.05Å; L185-I360 HydrophobicContact CD1-CG2 4.02Å; F201-I360 HydrophobicContact CE2-CG2 4.24Å; F201-I360 HydrophobicContact CZ-CG2 4.49Å; L275-I360 HydrophobicContact CD2-CG1 4.45Å; L352-I360 HydrophobicContact CB-CD1 4.2Å; L352-I360 HydrophobicContact CD2-CD1 4.11Å; L352-I360 HydrophobicContact CD2-CG1 4.05Å; L352-I360 HydrophobicContact CD2-CG2 4.35Å; L352-I360 VanDerWaalsContact O-CD1 3.25Å; L352-I360 WeakPolarHBondContact O-CD1 3.46Å; E355-I360 HydrophobicContact CB-CD1 4.27Å; E355-I360 HydrophobicContact CB-CG1 4.21Å; E355-I360 HydrophobicContact CG-CG1 4.16Å; R356-I360 PolarHBondContact O-N 3.31Å; R356-I360 VanDerWaalsContact O-N 3.09Å; K357-I360 PolarHBondContact O-N 2.85Å; I360-N362 VanDerWaalsContact C-N 3.34Å; I360-N362 PolarHBondContact O-N 2.94Å; I360-Y363 PolarHBondContact O-N 3.35Å; I360-L364 HydrophobicContact CG2-CD1 4.14Å; I360-L364 HydrophobicContact CG2-CG 4.39Å; I360-L364 WeakPolarHBondContact O-CG 3.49Å; I360-L364 PolarHBondContact O-N 3.01Å |
| 361 | A | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | P166 W178 F183 K357 K358 Y363 L364 V365 | P166-A361 HydrophobicContact CG-CB 3.73Å; W178-A361 HydrophobicContact CZ2-CB 3.75Å; F183-A361 HydrophobicContact CD2-CB 3.94Å; F183-A361 HydrophobicContact CE2-CB 3.73Å; F183-A361 HydrophobicContact CZ-CB 4.11Å; K357-A361 WeakPolarHBondContact O-CB 3.28Å; K357-A361 PolarHBondContact O-N 2.59Å; K358-A361 PolarHBondContact O-N 3.14Å; A361-Y363 VanDerWaalsContact C-N 3.35Å; A361-Y363 PolarHBondContact O-N 2.83Å; A361-L364 PolarHBondContact O-N 2.7Å; A361-V365 WeakPolarHBondContact O-CG2 3.36Å; A361-V365 PolarHBondContact O-N 2.94Å |
| 362 | N | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 174.8 | -86.2 | -24.5 | 0 | 0 | 0 | 112 | W165 P166 V167 D268 M269 V272 K358 T359 I360 W366 | W165-N362 VanDerWaalsContact CD1-OD1 3.27Å; W165-N362 PolarHBondContact NE1-O 3.3Å; W165-N362 VanDerWaalsContact NE1-O 3.17Å; W165-N362 PolarHBondContact NE1-OD1 3.23Å; P166-N362 WeakPolarHBondContact CB-OD1 3.36Å; P166-N362 WeakPolarHBondContact CD-OD1 3.38Å; P166-N362 WeakPolarHBondContact CG-OD1 3.13Å; V167-N362 PolarHBondContact N-OD1 2.89Å; V167-N362 VanDerWaalsContact N-OD1 3.07Å; D268-N362 PolarHBondContact OD2-ND2 3.46Å; D268-N362 VanDerWaalsContact OD2-ND2 3.11Å; M269-N362 HydrophobicContact CE-CB 4.15Å; V272-N362 HydrophobicContact CG2-CB 3.63Å; K358-N362 WeakPolarHBondContact O-CB 3.21Å; K358-N362 PolarHBondContact O-N 3.24Å; T359-N362 PolarHBondContact O-N 2.51Å; I360-N362 VanDerWaalsContact C-N 3.34Å; I360-N362 PolarHBondContact O-N 2.94Å; N362-W366 WeakPolarHBondContact O-CB 3.23Å; N362-W366 PolarHBondContact O-N 3.3Å |
| 363 | Y | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -47.6 | 176.9 | 175.9 | -96.4 | 0 | 0 | 0 | 112.1 | V200 F201 V272 L275 E276 T359 I360 A361 V365 W366 R367 | V200-Y363 HydrophobicContact CG1-CD1 4.03Å; V200-Y363 HydrophobicContact CG1-CE1 3.43Å; V200-Y363 VanDerWaalsContact CG1-CE1 3.43Å; F201-Y363 HydrophobicContact CD1-CD1 4.37Å; F201-Y363 AromaticContact CD1-CE1 3.68Å; F201-Y363 HydrophobicContact CD1-CE1 3.68Å; F201-Y363 AromaticContact CE1-CD1 3.35Å; F201-Y363 HydrophobicContact CE1-CD1 3.35Å; F201-Y363 AromaticContact CE1-CE1 3.01Å; F201-Y363 HydrophobicContact CE1-CE1 3.01Å; F201-Y363 HydrophobicContact CE1-CG 4.43Å; F201-Y363 AromaticContact CE1-CZ 3.93Å; F201-Y363 HydrophobicContact CE2-CD1 4.2Å; F201-Y363 HydrophobicContact CE2-CE1 4.37Å; F201-Y363 AromaticContact CZ-CD1 3.25Å; F201-Y363 HydrophobicContact CZ-CD1 3.25Å; F201-Y363 AromaticContact CZ-CE1 3.45Å; F201-Y363 HydrophobicContact CZ-CE1 3.45Å; F201-Y363 VanDerWaalsContact CZ-CE1 3.45Å; F201-Y363 HydrophobicContact CZ-CG 4.33Å; V272-Y363 HydrophobicContact CG1-CD2 3.79Å; V272-Y363 HydrophobicContact CG1-CG 4.42Å; L275-Y363 HydrophobicContact CD2-CG 4.31Å; E276-Y363 HydrophobicContact CB-CE2 4.02Å; E276-Y363 HydrophobicContact CG-CE2 3.85Å; T359-Y363 PolarHBondContact O-N 3.28Å; I360-Y363 PolarHBondContact O-N 3.35Å; A361-Y363 VanDerWaalsContact C-N 3.35Å; A361-Y363 PolarHBondContact O-N 2.83Å; Y363-V365 VanDerWaalsContact C-N 3.32Å; Y363-V365 PolarHBondContact O-N 2.99Å; Y363-W366 WeakPolarHBondContact O-CB 3.27Å; Y363-W366 PolarHBondContact O-N 3.15Å; Y363-R367 HydrophobicContact CD1-CG 4.27Å; Y363-R367 HydrophobicContact CD2-CG 4.47Å; Y363-R367 HydrophobicContact CE1-CG 3.89Å; Y363-R367 HydrophobicContact CE2-CG 4.09Å; Y363-R367 VanDerWaalsContact O-CG 3.3Å; Y363-R367 WeakPolarHBondContact O-CG 3.45Å; Y363-R367 PolarHBondContact O-N 2.98Å |
| 364 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.5 | -44.2 | 179.6 | -68.4 | 176 | 0 | 0 | 0 | 112.2 | F183 L185 T188 L189 L192 V200 F201 I360 A361 R367 M368 | F183-L364 HydrophobicContact CE2-CD1 4.02Å; F183-L364 HydrophobicContact CZ-CD1 3.83Å; L185-L364 HydrophobicContact CD1-CD1 3.69Å; T188-L364 HydrophobicContact CG2-CB 4Å; T188-L364 HydrophobicContact CG2-CD1 3.69Å; T188-L364 HydrophobicContact CG2-CG 4.42Å; L189-L364 HydrophobicContact CD2-CD2 3.53Å; L189-L364 HydrophobicContact CG-CD2 4.34Å; L192-L364 HydrophobicContact CD1-CB 4.33Å; L192-L364 HydrophobicContact CD1-CD2 4.21Å; V200-L364 HydrophobicContact CB-CD2 4.19Å; V200-L364 HydrophobicContact CG1-CD2 3.58Å; F201-L364 HydrophobicContact CD2-CD2 3.93Å; F201-L364 HydrophobicContact CE2-CD2 3.5Å; F201-L364 VanDerWaalsContact CE2-CD2 3.5Å; F201-L364 HydrophobicContact CE2-CG 4.2Å; F201-L364 HydrophobicContact CZ-CD2 4.21Å; I360-L364 HydrophobicContact CG2-CD1 4.14Å; I360-L364 HydrophobicContact CG2-CG 4.39Å; I360-L364 WeakPolarHBondContact O-CG 3.49Å; I360-L364 PolarHBondContact O-N 3.01Å; A361-L364 PolarHBondContact O-N 2.7Å; L364-R367 PolarHBondContact O-N 3.14Å; L364-M368 PolarHBondContact O-N 3.22Å |
| 365 | V | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.7 | -36.9 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | L158 F163 W165 A361 Y363 R367 M368 V369 | L158-V365 HydrophobicContact CD2-CG1 3.54Å; F163-V365 HydrophobicContact CD1-CG2 4.41Å; W165-V365 HydrophobicContact CB-CB 4.3Å; W165-V365 HydrophobicContact CB-CG1 3.62Å; W165-V365 VanDerWaalsContact CD1-CB 3.49Å; W165-V365 HydrophobicContact CD2-CB 4.47Å; W165-V365 HydrophobicContact CD2-CG1 3.86Å; W165-V365 HydrophobicContact CG-CB 3.86Å; W165-V365 HydrophobicContact CG-CG1 3.42Å; W165-V365 VanDerWaalsContact CG-CG1 3.42Å; A361-V365 WeakPolarHBondContact O-CG2 3.36Å; A361-V365 PolarHBondContact O-N 2.94Å; Y363-V365 VanDerWaalsContact C-N 3.32Å; Y363-V365 PolarHBondContact O-N 2.99Å; V365-R367 VanDerWaalsContact C-N 3.3Å; V365-R367 PolarHBondContact O-N 3.3Å; V365-M368 WeakPolarHBondContact O-CB 3.36Å; V365-M368 PolarHBondContact O-N 3.2Å; V365-M368 VanDerWaalsContact O-N 3.08Å; V365-V369 HydrophobicContact CG1-CG2 4.17Å; V365-V369 WeakPolarHBondContact O-CG2 3.2Å; V365-V369 PolarHBondContact O-N 3.2Å |
| 366 | W | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -53.4 | -47.2 | 171 | 164.1 | -110.8 | 0 | 0 | 0 | 111.4 | W165 S226 F247 F250 M251 T254 N362 Y363 M368 V369 Y370 | W165-W366 HydrophobicContact CH2-CE3 4.17Å; W165-W366 HydrophobicContact CZ2-CB 4.22Å; W165-W366 HydrophobicContact CZ2-CE3 4.16Å; S226-W366 PolarHBondContact OG-NE1 3.35Å; S226-W366 VanDerWaalsContact OG-NE1 3.08Å; F247-W366 AromaticContact CE2-CZ2 3.74Å; F247-W366 HydrophobicContact CE2-CZ2 3.74Å; F247-W366 AromaticContact CE2-NE1 3.99Å; F247-W366 HydrophobicContact CZ-CZ2 4.33Å; F247-W366 AromaticContact CZ-NE1 3.72Å; F250-W366 AromaticContact CD1-CH2 3.8Å; F250-W366 HydrophobicContact CD1-CH2 3.8Å; F250-W366 HydrophobicContact CD1-CZ2 4.18Å; F250-W366 AromaticContact CE1-CH2 3.69Å; F250-W366 HydrophobicContact CE1-CH2 3.69Å; F250-W366 HydrophobicContact CE1-CZ2 4.17Å; M251-W366 HydrophobicContact CB-CE3 4.44Å; M251-W366 HydrophobicContact CB-CH2 4.26Å; M251-W366 HydrophobicContact CB-CZ2 4.5Å; M251-W366 HydrophobicContact CB-CZ3 4.23Å; M251-W366 HydrophobicContact CG-CD2 3.81Å; M251-W366 VanDerWaalsContact CG-CE2 3.47Å; M251-W366 HydrophobicContact CG-CE3 4.01Å; M251-W366 HydrophobicContact CG-CH2 3.62Å; M251-W366 HydrophobicContact CG-CZ2 3.41Å; M251-W366 VanDerWaalsContact CG-CZ2 3.41Å; M251-W366 HydrophobicContact CG-CZ3 3.91Å; M251-W366 HydrophobicContact SD-CD2 4.12Å; M251-W366 HydrophobicContact SD-CG 4.31Å; M251-W366 HydrophobicContact SD-CZ2 4.34Å; T254-W366 HydrophobicContact CG2-CZ3 3.94Å; N362-W366 WeakPolarHBondContact O-CB 3.23Å; N362-W366 PolarHBondContact O-N 3.3Å; Y363-W366 WeakPolarHBondContact O-CB 3.27Å; Y363-W366 PolarHBondContact O-N 3.15Å; W366-M368 PolarHBondContact O-N 3.07Å; W366-V369 PolarHBondContact O-N 3.15Å; W366-V369 VanDerWaalsContact O-N 3.13Å; W366-Y370 AromaticContact CH2-CD2 3.92Å; W366-Y370 HydrophobicContact CH2-CD2 3.92Å; W366-Y370 AromaticContact CZ2-CD2 3.48Å; W366-Y370 HydrophobicContact CZ2-CD2 3.48Å; W366-Y370 VanDerWaalsContact CZ2-CD2 3.48Å; W366-Y370 HydrophobicContact CZ2-CE2 4.34Å; W366-Y370 AromaticContact CZ2-CG 3.97Å; W366-Y370 HydrophobicContact CZ2-CG 3.97Å; W366-Y370 VanDerWaalsContact O-CB 3.25Å; W366-Y370 WeakPolarHBondContact O-CB 3.15Å; W366-Y370 PolarHBondContact O-N 3.34Å |
| 367 | R | 98.1 | Very high | 97 | Very high | 22 Ų | 22 | 18 Ų | 18 | 8% | 0.083 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.2 | -31.9 | 178.9 | -64.2 | -67.4 | -67.3 | 165.2 | -6.8 | 112.9 | V200 S224 L225 S226 Y363 L364 V365 S371 | V200-R367 HydrophobicContact CG1-CB 4.25Å; V200-R367 HydrophobicContact CG1-CG 3.85Å; V200-R367 HydrophobicContact CG2-CB 3.56Å; V200-R367 HydrophobicContact CG2-CG 4.04Å; S224-R367 PolarHBondContact O-NH2 2.96Å; S224-R367 PolarHBondContact OG-NH2 2.94Å; L225-R367 PolarHBondContact O-NH1 3.05Å; L225-R367 PolarHBondContact O-NH2 3.21Å; S226-R367 PolarHBondContact OG-NH1 2.67Å; Y363-R367 HydrophobicContact CD1-CG 4.27Å; Y363-R367 HydrophobicContact CD2-CG 4.47Å; Y363-R367 HydrophobicContact CE1-CG 3.89Å; Y363-R367 HydrophobicContact CE2-CG 4.09Å; Y363-R367 VanDerWaalsContact O-CG 3.3Å; Y363-R367 WeakPolarHBondContact O-CG 3.45Å; Y363-R367 PolarHBondContact O-N 2.98Å; L364-R367 PolarHBondContact O-N 3.14Å; V365-R367 VanDerWaalsContact C-N 3.3Å; V365-R367 PolarHBondContact O-N 3.3Å; R367-S371 PolarHBondContact O-N 2.95Å |
| 368 | M | 96.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -72.1 | -47.7 | 171.6 | 176.1 | 56.5 | -173.8 | 0 | 0 | 112.4 | I157 L192 Y196 N198 L364 V365 W366 S371 R372 | I157-M368 HydrophobicContact CD1-CE 4.1Å; L192-M368 HydrophobicContact CD2-CB 3.81Å; L192-M368 HydrophobicContact CD2-CG 4.42Å; Y196-M368 HydrophobicContact CD1-CE 3.22Å; Y196-M368 HydrophobicContact CD1-SD 3.89Å; Y196-M368 HydrophobicContact CE1-CE 3.41Å; Y196-M368 VanDerWaalsContact CE1-CE 3.41Å; Y196-M368 HydrophobicContact CG-CE 3.91Å; Y196-M368 HydrophobicContact CG-SD 3.99Å; N198-M368 PolarHBondContact ND2-SD 3.05Å; L364-M368 PolarHBondContact O-N 3.22Å; V365-M368 WeakPolarHBondContact O-CB 3.36Å; V365-M368 PolarHBondContact O-N 3.2Å; V365-M368 VanDerWaalsContact O-N 3.08Å; W366-M368 PolarHBondContact O-N 3.07Å; M368-S371 PolarHBondContact O-N 2.8Å; M368-S371 PolarHBondContact O-OG 3.24Å; M368-R372 HydrophobicContact CE-CG 3.72Å; M368-R372 WeakPolarHBondContact O-CG 3.49Å; M368-R372 PolarHBondContact O-N 2.97Å; M368-R372 HydrophobicContact SD-CG 4.21Å |
| 369 | V | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.4 | -51.7 | 179 | 169.8 | 0 | 0 | 0 | 0 | 110 | L154 L158 W165 T254 L258 V365 W366 S371 R372 L373 | L154-V369 HydrophobicContact CD2-CG1 4.21Å; L154-V369 HydrophobicContact CD2-CG2 4.3Å; L158-V369 HydrophobicContact CD1-CG2 4.15Å; L158-V369 HydrophobicContact CD2-CG2 4.17Å; W165-V369 HydrophobicContact CE3-CG2 4.06Å; W165-V369 HydrophobicContact CH2-CG1 4.31Å; W165-V369 HydrophobicContact CH2-CG2 4.35Å; W165-V369 HydrophobicContact CZ3-CB 4.5Å; W165-V369 HydrophobicContact CZ3-CG1 4.24Å; W165-V369 HydrophobicContact CZ3-CG2 3.96Å; T254-V369 HydrophobicContact CG2-CG1 3.75Å; L258-V369 HydrophobicContact CD1-CG1 3.7Å; L258-V369 HydrophobicContact CD1-CG2 4.44Å; V365-V369 HydrophobicContact CG1-CG2 4.17Å; V365-V369 WeakPolarHBondContact O-CG2 3.2Å; V365-V369 PolarHBondContact O-N 3.2Å; W366-V369 PolarHBondContact O-N 3.15Å; W366-V369 VanDerWaalsContact O-N 3.13Å; V369-S371 VanDerWaalsContact C-N 3.28Å; V369-S371 PolarHBondContact O-N 3.03Å; V369-R372 PolarHBondContact O-N 2.99Å; V369-L373 HydrophobicContact CG1-CD2 3.87Å; V369-L373 WeakPolarHBondContact O-CG 3.49Å; V369-L373 PolarHBondContact O-N 3.23Å |
| 370 | Y | 96.9 | Very high | 96.6 | Very high | 50 Ų | 50 | 20 Ų | 20 | 20% | 0.196 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -49.1 | -47 | 178 | -179.4 | -110.1 | 0 | 0 | 0 | 112.2 | S226 F250 W366 R372 L373 | S226-Y370 PolarHBondContact O-OH 2.95Å; F250-Y370 AromaticContact CE1-CD2 3.76Å; F250-Y370 HydrophobicContact CE1-CD2 3.76Å; F250-Y370 AromaticContact CE1-CE2 3.7Å; F250-Y370 HydrophobicContact CE1-CE2 3.7Å; W366-Y370 AromaticContact CH2-CD2 3.92Å; W366-Y370 HydrophobicContact CH2-CD2 3.92Å; W366-Y370 AromaticContact CZ2-CD2 3.48Å; W366-Y370 HydrophobicContact CZ2-CD2 3.48Å; W366-Y370 VanDerWaalsContact CZ2-CD2 3.48Å; W366-Y370 HydrophobicContact CZ2-CE2 4.34Å; W366-Y370 AromaticContact CZ2-CG 3.97Å; W366-Y370 HydrophobicContact CZ2-CG 3.97Å; W366-Y370 VanDerWaalsContact O-CB 3.25Å; W366-Y370 WeakPolarHBondContact O-CB 3.15Å; W366-Y370 PolarHBondContact O-N 3.34Å; Y370-R372 VanDerWaalsContact C-N 3.25Å; Y370-R372 PolarHBondContact O-N 2.8Å; Y370-L373 HydrophobicContact CD2-CD1 4.48Å |
| 371 | S | 94.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 20.1 Ų | 20.1 | 20% | 0.203 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -70.4 | -21 | -177.5 | 84.7 | 0 | 0 | 0 | 0 | 113.4 | N198 R367 M368 V369 | N198-S371 PolarHBondContact ND2-OG 2.88Å; N198-S371 PolarHBondContact OD1-OG 3.17Å; R367-S371 PolarHBondContact O-N 2.95Å; M368-S371 PolarHBondContact O-N 2.8Å; M368-S371 PolarHBondContact O-OG 3.24Å; V369-S371 VanDerWaalsContact C-N 3.28Å; V369-S371 PolarHBondContact O-N 3.03Å |
| 372 | R | 94.7 | Very high | 96.4 | Very high | 14 Ų | 14 | 25.1 Ų | 25.1 | 5% | 0.053 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -98.4 | -6.2 | -177.6 | -63.9 | -52.3 | 99.2 | -131.3 | -0.5 | 115 | M368 V369 Y370 F374 N375 F501 | M368-R372 HydrophobicContact CE-CG 3.72Å; M368-R372 WeakPolarHBondContact O-CG 3.49Å; M368-R372 PolarHBondContact O-N 2.97Å; M368-R372 HydrophobicContact SD-CG 4.21Å; V369-R372 PolarHBondContact O-N 2.99Å; Y370-R372 VanDerWaalsContact C-N 3.25Å; Y370-R372 PolarHBondContact O-N 2.8Å; R372-F374 VanDerWaalsContact C-N 3.25Å; R372-F374 PolarHBondContact O-N 3.23Å; R372-N375 PolarHBondContact NH1-OD1 2.92Å; R372-N375 PolarHBondContact O-N 2.88Å; R372-F501 HydrophobicContact CB-CE2 4.44Å |
| 373 | L | 94.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -57.3 | -37.3 | -174.6 | -65.4 | 179.7 | 0 | 0 | 0 | 113.5 | F250 T254 V369 Y370 N375 L376 F380 | F250-L373 HydrophobicContact CE1-CD1 3.97Å; F250-L373 HydrophobicContact CE2-CD1 4.16Å; F250-L373 HydrophobicContact CZ-CD1 3.32Å; T254-L373 HydrophobicContact CG2-CD1 4.14Å; T254-L373 HydrophobicContact CG2-CD2 3.68Å; V369-L373 HydrophobicContact CG1-CD2 3.87Å; V369-L373 WeakPolarHBondContact O-CG 3.49Å; V369-L373 PolarHBondContact O-N 3.23Å; Y370-L373 HydrophobicContact CD2-CD1 4.48Å; L373-N375 PolarHBondContact O-N 3.31Å; L373-N375 VanDerWaalsContact O-N 3.16Å; L373-L376 HydrophobicContact CD2-CD1 4.42Å; L373-L376 PolarHBondContact O-N 3.38Å; L373-F380 HydrophobicContact CD2-CD1 3.83Å; L373-F380 HydrophobicContact CD2-CG 4.47Å |
| 374 | F | 92.1 | Very high | 96.2 | Very high | 74 Ų | 74 | 29.8 Ų | 29.8 | 33% | 0.325 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -69.7 | -6.8 | 177.9 | -63.2 | -79.2 | 0 | 0 | 0 | 114.6 | R372 W384 | R372-F374 VanDerWaalsContact C-N 3.25Å; R372-F374 PolarHBondContact O-N 3.23Å; F374-W384 AromaticContact CE1-CD2 3.5Å; F374-W384 HydrophobicContact CE1-CD2 3.5Å; F374-W384 VanDerWaalsContact CE1-CD2 3.5Å; F374-W384 AromaticContact CE1-CE2 3.86Å; F374-W384 AromaticContact CE1-CE3 3.56Å; F374-W384 HydrophobicContact CE1-CE3 3.56Å; F374-W384 AromaticContact CE1-CG 3.97Å; F374-W384 HydrophobicContact CE1-CG 3.97Å; F374-W384 HydrophobicContact CE1-CH2 4.23Å; F374-W384 HydrophobicContact CE1-CZ2 4.21Å; F374-W384 AromaticContact CE1-CZ3 3.93Å; F374-W384 HydrophobicContact CE1-CZ3 3.93Å; F374-W384 AromaticContact CZ-CD1 3.77Å; F374-W384 AromaticContact CZ-CD2 3.37Å; F374-W384 HydrophobicContact CZ-CD2 3.37Å; F374-W384 AromaticContact CZ-CE2 3.27Å; F374-W384 AromaticContact CZ-CE3 3.9Å; F374-W384 HydrophobicContact CZ-CE3 3.9Å; F374-W384 AromaticContact CZ-CG 3.72Å; F374-W384 HydrophobicContact CZ-CG 3.72Å; F374-W384 HydrophobicContact CZ-CH2 4.15Å; F374-W384 AromaticContact CZ-CZ2 3.69Å; F374-W384 HydrophobicContact CZ-CZ2 3.69Å; F374-W384 HydrophobicContact CZ-CZ3 4.26Å; F374-W384 AromaticContact CZ-NE1 3.5Å |
| 375 | N | 94.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.08 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -105.1 | 7.4 | 178.2 | -45.8 | 121.3 | 0 | 0 | 0 | 113.5 | R372 L373 Y500 F501 | R372-N375 PolarHBondContact NH1-OD1 2.92Å; R372-N375 PolarHBondContact O-N 2.88Å; L373-N375 PolarHBondContact O-N 3.31Å; L373-N375 VanDerWaalsContact O-N 3.16Å; N375-Y500 HydrophobicContact CB-CE1 3.75Å; N375-Y500 PolarHBondContact ND2-OH 3.37Å; N375-F501 HydrophobicContact CB-CD2 4.04Å; N375-F501 HydrophobicContact CB-CE2 4.29Å |
| 376 | L | 96 | Very high | 96 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -102.9 | -177.7 | 176.7 | -55.3 | -179.9 | 0 | 0 | 0 | 110.4 | L154 L373 F380 Q381 F501 | L154-L376 HydrophobicContact CB-CD1 4.4Å; L154-L376 HydrophobicContact CB-CD2 4.03Å; L154-L376 HydrophobicContact CD2-CD1 3.78Å; L373-L376 HydrophobicContact CD2-CD1 4.42Å; L373-L376 PolarHBondContact O-N 3.38Å; L376-F380 HydrophobicContact CB-CB 4.26Å; L376-F380 HydrophobicContact CB-CD2 3.66Å; L376-F380 HydrophobicContact CB-CE2 4.4Å; L376-F380 HydrophobicContact CB-CG 4.07Å; L376-F380 HydrophobicContact CD1-CD1 4.14Å; L376-F380 HydrophobicContact CD1-CD2 3.87Å; L376-F380 HydrophobicContact CD1-CE1 4.36Å; L376-F380 HydrophobicContact CD1-CE2 4.14Å; L376-F380 HydrophobicContact CD1-CG 3.89Å; L376-F380 HydrophobicContact CD1-CZ 4.39Å; L376-F380 HydrophobicContact CG-CD2 4.44Å; L376-Q381 PolarHBondContact O-NE2 3.29Å; L376-Q381 VanDerWaalsContact O-NE2 3.16Å; L376-F501 HydrophobicContact CD2-CD2 4.06Å; L376-F501 HydrophobicContact CD2-CE2 3.69Å |
| 377 | S | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -54.4 | 160.1 | 173.3 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | E147 D150 R379 F380 | E147-S377 WeakPolarHBondContact OE1-CA 3.33Å; E147-S377 WeakPolarHBondContact OE2-CB 3.36Å; D150-S377 VanDerWaalsContact OD1-CB 3.29Å; D150-S377 WeakPolarHBondContact OD1-CB 3.41Å; D150-S377 PolarHBondContact OD1-OG 3.29Å; S377-R379 PolarHBondContact O-N 3.48Å; S377-R379 VanDerWaalsContact O-N 3.09Å; S377-R379 WeakPolarHBondContact OG-CG 3.09Å; S377-F380 PolarHBondContact O-N 3.08Å; S377-F380 VanDerWaalsContact O-N 3.1Å; S377-F380 WeakPolarHBondContact OG-CD2 3.24Å | ||
| 378 | R | 95.1 | Very high | 95.9 | Very high | 96 Ų | 96 | 32.6 Ų | 32.6 | 36% | 0.362 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -58.9 | -27.4 | -173.5 | -158.8 | -179.2 | -85.3 | -147.7 | -5.6 | 113.5 | E143 E147 F380 Q381 Y382 L397 | E143-R378 IonicContact OE1-NH2 3.6Å; E143-R378 IonicContact OE2-CZ 2.81Å; E143-R378 IonicContact OE2-NE 2.65Å; E143-R378 IonicContact OE2-NH2 2.71Å; E143-R378 PolarHBondContact OE2-NH2 2.77Å; E147-R378 VanDerWaalsContact OE1-CB 3.3Å; E147-R378 WeakPolarHBondContact OE1-CB 3.32Å; E147-R378 PolarHBondContact OE1-N 3.16Å; R378-F380 VanDerWaalsContact C-N 3.29Å; R378-F380 PolarHBondContact O-N 3.15Å; R378-Q381 WeakPolarHBondContact O-CB 3.44Å; R378-Q381 PolarHBondContact O-N 3.34Å; R378-Q381 VanDerWaalsContact O-N 3.11Å; R378-Y382 HydrophobicContact CB-CD2 4.42Å; R378-Y382 HydrophobicContact CB-CE2 4.25Å; R378-Y382 WeakPolarHBondContact CD-OH 3.31Å; R378-Y382 HydrophobicContact CG-CD2 3.77Å; R378-Y382 HydrophobicContact CG-CE2 3.37Å; R378-Y382 VanDerWaalsContact O-CD2 3.28Å; R378-Y382 WeakPolarHBondContact O-CD2 3.39Å; R378-Y382 PolarHBondContact O-N 2.97Å; R378-L397 HydrophobicContact CG-CD1 4.12Å |
| 379 | R | 96 | Very high | 95.9 | Very high | 103 Ų | 103 | 36.9 Ų | 36.9 | 39% | 0.389 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.8 | -33.6 | 177.4 | 69.3 | -173.8 | 179.2 | 140.6 | -0.3 | 113.5 | D150 V151 S377 R383 | D150-R379 IonicContact OD1-CZ 3.58Å; D150-R379 IonicContact OD1-NE 3.41Å; D150-R379 PolarHBondContact OD1-NE 3.25Å; D150-R379 IonicContact OD1-NH2 3.76Å; D150-R379 PolarHBondContact OD1-NH2 3.24Å; D150-R379 IonicContact OD2-CZ 3.97Å; D150-R379 IonicContact OD2-NE 2.73Å; D150-R379 IonicContact OD2-NH2 3.74Å; D150-R379 PolarHBondContact OD2-NH2 2.95Å; V151-R379 VanDerWaalsContact CG1-NH2 3.29Å; S377-R379 PolarHBondContact O-N 3.48Å; S377-R379 VanDerWaalsContact O-N 3.09Å; S377-R379 WeakPolarHBondContact OG-CG 3.09Å; R379-R383 PolarHBondContact O-N 2.69Å; R379-R383 VanDerWaalsContact O-N 3.11Å |
| 380 | F | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.8 | -39.4 | 174.3 | -70.6 | -81.8 | 0 | 0 | 0 | 111.7 | V151 L257 L258 L373 L376 S377 R378 R383 W384 | V151-F380 HydrophobicContact CG1-CD2 4.46Å; V151-F380 HydrophobicContact CG1-CE1 4.39Å; V151-F380 HydrophobicContact CG1-CE2 3.2Å; V151-F380 HydrophobicContact CG1-CZ 3.15Å; L257-F380 HydrophobicContact CB-CD1 4.47Å; L257-F380 HydrophobicContact CB-CE1 3.58Å; L257-F380 HydrophobicContact CB-CZ 3.81Å; L257-F380 HydrophobicContact CD1-CD1 4.16Å; L257-F380 HydrophobicContact CD1-CE1 4.07Å; L257-F380 HydrophobicContact CG-CE1 4.47Å; L258-F380 HydrophobicContact CD2-CE1 4.12Å; L258-F380 HydrophobicContact CD2-CZ 4.02Å; L258-F380 HydrophobicContact CG-CE1 4.01Å; L258-F380 HydrophobicContact CG-CZ 4.29Å; L373-F380 HydrophobicContact CD2-CD1 3.83Å; L373-F380 HydrophobicContact CD2-CG 4.47Å; L376-F380 HydrophobicContact CB-CB 4.26Å; L376-F380 HydrophobicContact CB-CD2 3.66Å; L376-F380 HydrophobicContact CB-CE2 4.4Å; L376-F380 HydrophobicContact CB-CG 4.07Å; L376-F380 HydrophobicContact CD1-CD1 4.14Å; L376-F380 HydrophobicContact CD1-CD2 3.87Å; L376-F380 HydrophobicContact CD1-CE1 4.36Å; L376-F380 HydrophobicContact CD1-CE2 4.14Å; L376-F380 HydrophobicContact CD1-CG 3.89Å; L376-F380 HydrophobicContact CD1-CZ 4.39Å; L376-F380 HydrophobicContact CG-CD2 4.44Å; S377-F380 PolarHBondContact O-N 3.08Å; S377-F380 VanDerWaalsContact O-N 3.1Å; S377-F380 WeakPolarHBondContact OG-CD2 3.24Å; R378-F380 VanDerWaalsContact C-N 3.29Å; R378-F380 PolarHBondContact O-N 3.15Å; F380-R383 PolarHBondContact O-N 2.99Å; F380-W384 PolarHBondContact O-N 3.1Å |
| 381 | Q | 95.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 177.9 | -56.6 | -178.5 | 40.1 | 0 | 0 | 111 | L376 R378 R383 W384 L385 L397 | L376-Q381 PolarHBondContact O-NE2 3.29Å; L376-Q381 VanDerWaalsContact O-NE2 3.16Å; R378-Q381 WeakPolarHBondContact O-CB 3.44Å; R378-Q381 PolarHBondContact O-N 3.34Å; R378-Q381 VanDerWaalsContact O-N 3.11Å; Q381-R383 VanDerWaalsContact C-N 3.31Å; Q381-R383 PolarHBondContact O-N 3.46Å; Q381-W384 CarbonylContact O-C 3.59Å; Q381-W384 WeakPolarHBondContact O-CB 3.36Å; Q381-W384 PolarHBondContact O-N 2.98Å; Q381-L385 PolarHBondContact O-N 3.45Å; Q381-L397 HydrophobicContact CB-CD1 3.83Å; Q381-L397 HydrophobicContact CB-CD2 3.99Å |
| 382 | Y | 96.4 | Very high | 95.7 | Very high | 107 Ų | 107 | 38 Ų | 38 | 42% | 0.42 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 172.7 | -76.6 | -53.9 | 0 | 0 | 0 | 112.1 | R378 W384 L385 E386 L397 | R378-Y382 HydrophobicContact CB-CD2 4.42Å; R378-Y382 HydrophobicContact CB-CE2 4.25Å; R378-Y382 WeakPolarHBondContact CD-OH 3.31Å; R378-Y382 HydrophobicContact CG-CD2 3.77Å; R378-Y382 HydrophobicContact CG-CE2 3.37Å; R378-Y382 VanDerWaalsContact O-CD2 3.28Å; R378-Y382 WeakPolarHBondContact O-CD2 3.39Å; R378-Y382 PolarHBondContact O-N 2.97Å; Y382-W384 VanDerWaalsContact C-N 3.31Å; Y382-W384 PolarHBondContact O-N 3.12Å; Y382-L385 HydrophobicContact CD1-CD2 4.17Å; Y382-L385 WeakPolarHBondContact O-CB 3.47Å; Y382-L385 PolarHBondContact O-N 3.13Å; Y382-L385 VanDerWaalsContact O-N 3.13Å; Y382-E386 PolarHBondContact O-N 3.02Å; Y382-L397 HydrophobicContact CD1-CD1 3.92Å; Y382-L397 HydrophobicContact CD1-CG 4.36Å; Y382-L397 HydrophobicContact CE1-CD1 3.83Å; Y382-L397 HydrophobicContact CE1-CG 4.34Å; Y382-L397 HydrophobicContact CG-CD1 4.42Å |
| 383 | R | 97.1 | Very high | 95.8 | Very high | 55 Ų | 55 | 37.7 Ų | 37.7 | 21% | 0.208 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -38.3 | 175.1 | -172 | 63.7 | -150.6 | 137 | -1.9 | 112.1 | F250 D253 L257 R379 F380 Q381 E386 F387 | F250-R383 HydrophobicContact CD2-CG 3.96Å; F250-R383 HydrophobicContact CE2-CB 4.49Å; F250-R383 HydrophobicContact CE2-CG 4.08Å; D253-R383 HydrophobicContact CB-CG 4.03Å; D253-R383 IonicContact OD2-CZ 3.55Å; D253-R383 IonicContact OD2-NE 2.86Å; D253-R383 PolarHBondContact OD2-NE 2.87Å; D253-R383 IonicContact OD2-NH1 3.8Å; D253-R383 IonicContact OD2-NH2 2.71Å; D253-R383 PolarHBondContact OD2-NH2 2.87Å; L257-R383 HydrophobicContact CD1-CB 4.04Å; L257-R383 HydrophobicContact CD1-CG 4.2Å; R379-R383 PolarHBondContact O-N 2.69Å; R379-R383 VanDerWaalsContact O-N 3.11Å; F380-R383 PolarHBondContact O-N 2.99Å; Q381-R383 VanDerWaalsContact C-N 3.31Å; Q381-R383 PolarHBondContact O-N 3.46Å; R383-E386 VanDerWaalsContact NH1-CB 3.33Å; R383-F387 PolarHBondContact O-N 3.25Å |
| 384 | W | 96.4 | Very high | 95.8 | Very high | 45 Ų | 45 | 38 Ų | 38 | 17% | 0.17 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 171 | 177.3 | 86.3 | 0 | 0 | 0 | 112.3 | F250 F374 F380 Q381 Y382 E386 F387 S388 | F250-W384 VanDerWaalsContact CE2-CA 3.47Å; F250-W384 HydrophobicContact CE2-CB 3.94Å; F250-W384 HydrophobicContact CZ-CB 3.94Å; F250-W384 AromaticContact CZ-CD1 3.83Å; F250-W384 HydrophobicContact CZ-CG 4.32Å; F374-W384 AromaticContact CE1-CD2 3.5Å; F374-W384 HydrophobicContact CE1-CD2 3.5Å; F374-W384 VanDerWaalsContact CE1-CD2 3.5Å; F374-W384 AromaticContact CE1-CE2 3.86Å; F374-W384 AromaticContact CE1-CE3 3.56Å; F374-W384 HydrophobicContact CE1-CE3 3.56Å; F374-W384 AromaticContact CE1-CG 3.97Å; F374-W384 HydrophobicContact CE1-CG 3.97Å; F374-W384 HydrophobicContact CE1-CH2 4.23Å; F374-W384 HydrophobicContact CE1-CZ2 4.21Å; F374-W384 AromaticContact CE1-CZ3 3.93Å; F374-W384 HydrophobicContact CE1-CZ3 3.93Å; F374-W384 AromaticContact CZ-CD1 3.77Å; F374-W384 AromaticContact CZ-CD2 3.37Å; F374-W384 HydrophobicContact CZ-CD2 3.37Å; F374-W384 AromaticContact CZ-CE2 3.27Å; F374-W384 AromaticContact CZ-CE3 3.9Å; F374-W384 HydrophobicContact CZ-CE3 3.9Å; F374-W384 AromaticContact CZ-CG 3.72Å; F374-W384 HydrophobicContact CZ-CG 3.72Å; F374-W384 HydrophobicContact CZ-CH2 4.15Å; F374-W384 AromaticContact CZ-CZ2 3.69Å; F374-W384 HydrophobicContact CZ-CZ2 3.69Å; F374-W384 HydrophobicContact CZ-CZ3 4.26Å; F374-W384 AromaticContact CZ-NE1 3.5Å; F380-W384 PolarHBondContact O-N 3.1Å; Q381-W384 CarbonylContact O-C 3.59Å; Q381-W384 WeakPolarHBondContact O-CB 3.36Å; Q381-W384 PolarHBondContact O-N 2.98Å; Y382-W384 VanDerWaalsContact C-N 3.31Å; Y382-W384 PolarHBondContact O-N 3.12Å; W384-E386 VanDerWaalsContact C-N 3.34Å; W384-E386 PolarHBondContact O-N 3.29Å; W384-F387 CarbonylContact O-C 3.54Å; W384-F387 WeakPolarHBondContact O-CB 3.45Å; W384-F387 PolarHBondContact O-N 3.33Å; W384-F387 VanDerWaalsContact O-N 3.11Å; W384-S388 VanDerWaalsContact CH2-OG 3.29Å; W384-S388 WeakPolarHBondContact CH2-OG 3.48Å; W384-S388 WeakPolarHBondContact O-CB 3.04Å; W384-S388 PolarHBondContact O-N 3.19Å |
| 385 | L | 96.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -42.7 | 177.6 | 179.3 | 63.5 | 0 | 0 | 0 | 111.8 | Q381 Y382 F387 S388 R389 T395 T396 L397 | Q381-L385 PolarHBondContact O-N 3.45Å; Y382-L385 HydrophobicContact CD1-CD2 4.17Å; Y382-L385 WeakPolarHBondContact O-CB 3.47Å; Y382-L385 PolarHBondContact O-N 3.13Å; Y382-L385 VanDerWaalsContact O-N 3.13Å; L385-F387 PolarHBondContact O-N 2.93Å; L385-S388 PolarHBondContact O-N 3.23Å; L385-R389 WeakPolarHBondContact O-CG 3.38Å; L385-R389 PolarHBondContact O-N 3.07Å; L385-T395 WeakPolarHBondContact CD2-O 3.49Å; L385-T396 WeakPolarHBondContact CD1-O 3.03Å; L385-L397 HydrophobicContact CB-CD2 3.85Å; L385-L397 HydrophobicContact CD1-CD2 4.45Å; L385-L397 HydrophobicContact CD2-CD2 4.27Å; L385-L397 HydrophobicContact CD2-CG 4.11Å; L385-L397 HydrophobicContact CG-CD2 4.43Å |
| 386 | E | 96.6 | Very high | 96 | Very high | 77 Ų | 77 | 39.3 Ų | 39.3 | 36% | 0.36 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.3 | -37.9 | 175.2 | -63.6 | -49.9 | 143.1 | 0 | 0 | 112.2 | Y382 R383 W384 R389 | Y382-E386 PolarHBondContact O-N 3.02Å; R383-E386 VanDerWaalsContact NH1-CB 3.33Å; W384-E386 VanDerWaalsContact C-N 3.34Å; W384-E386 PolarHBondContact O-N 3.29Å; E386-R389 IonicContact OE1-CZ 3.08Å; E386-R389 IonicContact OE1-NH1 2.85Å; E386-R389 PolarHBondContact OE1-NH1 3.18Å; E386-R389 IonicContact OE1-NH2 3.69Å; E386-R389 IonicContact OE2-CZ 2.88Å; E386-R389 IonicContact OE2-NH1 3.12Å; E386-R389 PolarHBondContact OE2-NH1 3.16Å |
| 387 | F | 97 | Very high | 96 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.4 | -46.6 | 173.7 | 172.6 | -121.5 | 0 | 0 | 0 | 111.7 | L227 A246 F247 F250 R383 W384 L385 R389 V390 I391 | L227-F387 HydrophobicContact CD2-CE2 4.2Å; L227-F387 HydrophobicContact CD2-CZ 3.66Å; A246-F387 HydrophobicContact CB-CD2 3.98Å; A246-F387 HydrophobicContact CB-CE2 4.31Å; F247-F387 HydrophobicContact CB-CE2 3.68Å; F247-F387 HydrophobicContact CB-CZ 4.01Å; F247-F387 HydrophobicContact CD2-CE1 4.49Å; F247-F387 HydrophobicContact CD2-CE2 4.3Å; F247-F387 AromaticContact CD2-CZ 3.9Å; F247-F387 HydrophobicContact CD2-CZ 3.9Å; F247-F387 HydrophobicContact CG-CE2 4.46Å; F247-F387 HydrophobicContact CG-CZ 4.34Å; F250-F387 HydrophobicContact CB-CB 3.98Å; F250-F387 HydrophobicContact CB-CD2 4.13Å; F250-F387 HydrophobicContact CB-CG 3.97Å; F250-F387 HydrophobicContact CD1-CB 4.45Å; F250-F387 AromaticContact CD1-CD1 3.83Å; F250-F387 HydrophobicContact CD1-CD1 3.83Å; F250-F387 HydrophobicContact CD1-CE1 4.24Å; F250-F387 HydrophobicContact CD1-CG 4.11Å; F250-F387 HydrophobicContact CD2-CB 3.94Å; F250-F387 HydrophobicContact CD2-CG 4.46Å; F250-F387 HydrophobicContact CE1-CD1 4.16Å; F250-F387 HydrophobicContact CG-CB 3.86Å; F250-F387 HydrophobicContact CG-CD1 4.1Å; F250-F387 AromaticContact CG-CG 3.92Å; F250-F387 HydrophobicContact CG-CG 3.92Å; R383-F387 PolarHBondContact O-N 3.25Å; W384-F387 CarbonylContact O-C 3.54Å; W384-F387 WeakPolarHBondContact O-CB 3.45Å; W384-F387 PolarHBondContact O-N 3.33Å; W384-F387 VanDerWaalsContact O-N 3.11Å; L385-F387 PolarHBondContact O-N 2.93Å; F387-R389 VanDerWaalsContact C-N 3.27Å; F387-R389 PolarHBondContact O-N 3.2Å; F387-V390 WeakPolarHBondContact O-CB 3.25Å; F387-V390 PolarHBondContact O-N 2.72Å; F387-I391 HydrophobicContact CD1-CD1 4.1Å; F387-I391 HydrophobicContact CD2-CG2 4.3Å; F387-I391 HydrophobicContact CE1-CD1 3.49Å; F387-I391 VanDerWaalsContact CE1-CD1 3.49Å; F387-I391 HydrophobicContact CE1-CG1 4.32Å; F387-I391 HydrophobicContact CE2-CD1 4.26Å; F387-I391 HydrophobicContact CE2-CG1 4.47Å; F387-I391 HydrophobicContact CE2-CG2 3.68Å; F387-I391 HydrophobicContact CZ-CD1 3.59Å; F387-I391 HydrophobicContact CZ-CG1 4.27Å; F387-I391 HydrophobicContact CZ-CG2 4.01Å; F387-I391 PolarHBondContact O-N 3.43Å |
| 388 | S | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -31.1 | 178.8 | -167.9 | 0 | 0 | 0 | 0 | 112.9 | W384 L385 V390 I391 H392 G393 T394 | W384-S388 VanDerWaalsContact CH2-OG 3.29Å; W384-S388 WeakPolarHBondContact CH2-OG 3.48Å; W384-S388 WeakPolarHBondContact O-CB 3.04Å; W384-S388 PolarHBondContact O-N 3.19Å; L385-S388 PolarHBondContact O-N 3.23Å; S388-V390 PolarHBondContact O-N 3.23Å; S388-I391 PolarHBondContact O-N 3.41Å; S388-H392 WeakPolarHBondContact O-CA 3.31Å; S388-H392 WeakPolarHBondContact O-CB 3.2Å; S388-H392 PolarHBondContact O-N 3.25Å; S388-H392 PolarHBondContact OG-ND1 2.73Å; S388-G393 PolarHBondContact O-N 3.34Å; S388-T394 WeakPolarHBondContact CB-OG1 3.38Å; S388-T394 PolarHBondContact OG-OG1 2.99Å |
| 389 | R | 96.4 | Very high | 95.8 | Very high | 91 Ų | 91 | 41.1 Ų | 41.1 | 34% | 0.343 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.6 | -41 | 171.2 | -80.4 | 175.4 | -173.4 | 158.6 | 5.3 | 111.7 | L385 E386 F387 G393 T394 T395 | L385-R389 WeakPolarHBondContact O-CG 3.38Å; L385-R389 PolarHBondContact O-N 3.07Å; E386-R389 IonicContact OE1-CZ 3.08Å; E386-R389 IonicContact OE1-NH1 2.85Å; E386-R389 PolarHBondContact OE1-NH1 3.18Å; E386-R389 IonicContact OE1-NH2 3.69Å; E386-R389 IonicContact OE2-CZ 2.88Å; E386-R389 IonicContact OE2-NH1 3.12Å; E386-R389 PolarHBondContact OE2-NH1 3.16Å; F387-R389 VanDerWaalsContact C-N 3.27Å; F387-R389 PolarHBondContact O-N 3.2Å; R389-G393 VanDerWaalsContact O-CA 3.27Å; R389-G393 WeakPolarHBondContact O-CA 3.28Å; R389-G393 PolarHBondContact O-N 3.43Å; R389-T394 WeakPolarHBondContact CA-O 3.44Å; R389-T394 WeakPolarHBondContact CG-O 3.38Å; R389-T395 PolarHBondContact NE-O 3.24Å; R389-T395 PolarHBondContact NH2-O 3.13Å |
| 390 | V | 96.9 | Very high | 95.8 | Very high | 48 Ų | 48 | 37.4 Ų | 37.4 | 29% | 0.291 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -76.5 | -39.2 | -178.2 | -177 | 0 | 0 | 0 | 0 | 111.5 | Y243 A246 F387 S388 E697 | Y243-V390 HydrophobicContact CD1-CG1 3.93Å; Y243-V390 HydrophobicContact CE1-CG1 4.28Å; Y243-V390 WeakPolarHBondContact CE1-O 3.33Å; A246-V390 HydrophobicContact CB-CB 3.99Å; A246-V390 HydrophobicContact CB-CG1 3.83Å; A246-V390 HydrophobicContact CB-CG2 4.1Å; F387-V390 WeakPolarHBondContact O-CB 3.25Å; F387-V390 PolarHBondContact O-N 2.72Å; S388-V390 PolarHBondContact O-N 3.23Å; V390-E697 WeakPolarHBondContact O-CG 3.4Å |
| 391 | I | 95.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 9% | 0.087 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -97.1 | -19.1 | -172.4 | 63.3 | 160 | 0 | 0 | 0 | 114.9 | L227 Y243 F387 S388 E697 | L227-I391 HydrophobicContact CD2-CG2 4.41Å; Y243-I391 HydrophobicContact CD1-CG2 3.98Å; Y243-I391 HydrophobicContact CD2-CG2 4.46Å; Y243-I391 HydrophobicContact CG-CG2 3.94Å; F387-I391 HydrophobicContact CD1-CD1 4.1Å; F387-I391 HydrophobicContact CD2-CG2 4.3Å; F387-I391 HydrophobicContact CE1-CD1 3.49Å; F387-I391 VanDerWaalsContact CE1-CD1 3.49Å; F387-I391 HydrophobicContact CE1-CG1 4.32Å; F387-I391 HydrophobicContact CE2-CD1 4.26Å; F387-I391 HydrophobicContact CE2-CG1 4.47Å; F387-I391 HydrophobicContact CE2-CG2 3.68Å; F387-I391 HydrophobicContact CZ-CD1 3.59Å; F387-I391 HydrophobicContact CZ-CG1 4.27Å; F387-I391 HydrophobicContact CZ-CG2 4.01Å; F387-I391 PolarHBondContact O-N 3.43Å; S388-I391 PolarHBondContact O-N 3.41Å; I391-E697 WeakPolarHBondContact O-CB 3.3Å |
| 392 | H | 94.6 | Very high | 95.9 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 17% | 0.167 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -132.4 | -10.4 | -177.3 | -55 | 140.1 | 0 | 0 | 0 | 114 | S97 S388 T394 E701 | S97-H392 WeakPolarHBondContact CB-O 3.41Å; S388-H392 WeakPolarHBondContact O-CA 3.31Å; S388-H392 WeakPolarHBondContact O-CB 3.2Å; S388-H392 PolarHBondContact O-N 3.25Å; S388-H392 PolarHBondContact OG-ND1 2.73Å; H392-T394 VanDerWaalsContact C-N 3.26Å; H392-T394 HydrophobicContact CB-CG2 4.22Å; H392-T394 PolarHBondContact O-N 3.48Å; H392-E701 IonicContact CD2-OE2 3.47Å; H392-E701 PolarHBondContact CD2-OE2 3.44Å; H392-E701 IonicContact NE2-OE1 3.8Å; H392-E701 IonicContact NE2-OE2 3.38Å |
| 393 | G | 95.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 36 Ų | 36 | 9% | 0.093 | 18% | 0.179 | C | C | . | . | trans | 75.2 | 4.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S388 R389 R695 E697 | S388-G393 PolarHBondContact O-N 3.34Å; R389-G393 VanDerWaalsContact O-CA 3.27Å; R389-G393 WeakPolarHBondContact O-CA 3.28Å; R389-G393 PolarHBondContact O-N 3.43Å; G393-R695 WeakPolarHBondContact O-CD 3.25Å; G393-R695 PolarHBondContact O-NE 3.28Å; G393-R695 PolarHBondContact O-NH1 2.91Å; G393-E697 WeakPolarHBondContact CA-OE2 3.39Å | ||
| 394 | T | 95.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | trans | -72.7 | 130.4 | 179.2 | 54.2 | 0 | 0 | 0 | 0 | 110.9 | E94 S388 R389 H392 | E94-T394 CarbonylContact O-C 3.55Å; S388-T394 WeakPolarHBondContact CB-OG1 3.38Å; S388-T394 PolarHBondContact OG-OG1 2.99Å; R389-T394 WeakPolarHBondContact CA-O 3.44Å; R389-T394 WeakPolarHBondContact CG-O 3.38Å; H392-T394 VanDerWaalsContact C-N 3.26Å; H392-T394 HydrophobicContact CB-CG2 4.22Å; H392-T394 PolarHBondContact O-N 3.48Å | ||
| 395 | T | 94.6 | Very high | 96 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 31% | 0.307 | 16% | 0.161 | S | C | . | . | trans | -106.8 | -16.2 | -173.9 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | E94 L385 R389 | E94-T395 WeakPolarHBondContact CB-OG1 3.41Å; E94-T395 PolarHBondContact O-N 3.26Å; E94-T395 WeakPolarHBondContact OE2-CB 3.48Å; E94-T395 WeakPolarHBondContact OE2-CG2 3.45Å; E94-T395 PolarHBondContact OE2-OG1 3.06Å; L385-T395 WeakPolarHBondContact CD2-O 3.49Å; R389-T395 PolarHBondContact NE-O 3.24Å; R389-T395 PolarHBondContact NH2-O 3.13Å | ||
| 396 | T | 96.4 | Very high | 96 | Very high | 65 Ų | 65 | 34.6 Ų | 34.6 | 40% | 0.399 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -126.7 | 159 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | E94 D95 L385 | E94-T396 HydrophobicContact CB-CG2 3.98Å; E94-T396 WeakPolarHBondContact CB-OG1 3.38Å; E94-T396 PolarHBondContact O-N 3.01Å; E94-T396 PolarHBondContact O-OG1 3.25Å; D95-T396 WeakPolarHBondContact CA-O 3.48Å; D95-T396 PolarHBondContact N-OG1 2.92Å; D95-T396 VanDerWaalsContact N-OG1 3.11Å; L385-T396 WeakPolarHBondContact CD1-O 3.03Å |
| 397 | L | 94.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 32 Ų | 32 | 16% | 0.162 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 146.5 | 173.4 | -67.4 | 177.1 | 0 | 0 | 0 | 111 | R378 Q381 Y382 L385 | R378-L397 HydrophobicContact CG-CD1 4.12Å; Q381-L397 HydrophobicContact CB-CD1 3.83Å; Q381-L397 HydrophobicContact CB-CD2 3.99Å; Y382-L397 HydrophobicContact CD1-CD1 3.92Å; Y382-L397 HydrophobicContact CD1-CG 4.36Å; Y382-L397 HydrophobicContact CE1-CD1 3.83Å; Y382-L397 HydrophobicContact CE1-CG 4.34Å; Y382-L397 HydrophobicContact CG-CD1 4.42Å; L385-L397 HydrophobicContact CB-CD2 3.85Å; L385-L397 HydrophobicContact CD1-CD2 4.45Å; L385-L397 HydrophobicContact CD2-CD2 4.27Å; L385-L397 HydrophobicContact CD2-CG 4.11Å; L385-L397 HydrophobicContact CG-CD2 4.43Å |
| 398 | L | 92.6 | Very high | 96 | Very high | 58 Ų | 58 | 31.8 Ų | 31.8 | 30% | 0.304 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -55.8 | 142.2 | 166.5 | -71.1 | 169.8 | 0 | 0 | 0 | 110.9 | D95 K403 | D95-L398 HydrophobicContact CB-CD2 4.13Å; L398-K403 HydrophobicContact CB-CG 4.11Å; L398-K403 WeakPolarHBondContact O-CE 3.5Å; L398-K403 PolarHBondContact O-NZ 3.2Å |
| 399 | P | 95 | Very high | 96 | Very high | 48 Ų | 48 | 32.7 Ų | 32.7 | 31% | 0.312 | 17% | 0.171 | S | C | . | . | P | Polyproline II helix | trans | -54.3 | 148.1 | 172.8 | -25.5 | 34.2 | 0 | 0 | 0 | 112.3 | D95 W401 D402 K403 | D95-P399 WeakPolarHBondContact OD2-CD 3.29Å; P399-W401 VanDerWaalsContact C-N 3.31Å; P399-W401 HydrophobicContact CB-CG 4.38Å; P399-W401 PolarHBondContact O-N 2.83Å; P399-D402 HydrophobicContact CB-CB 4.39Å; P399-D402 WeakPolarHBondContact O-CB 3.39Å; P399-D402 PolarHBondContact O-N 2.91Å; P399-D402 VanDerWaalsContact O-N 3.16Å; P399-K403 PolarHBondContact O-N 3.31Å |
| 400 | Q | 95.7 | Very high | 95.9 | Very high | 24 Ų | 24 | 31.1 Ų | 31.1 | 11% | 0.112 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | -178 | -173.6 | 62.7 | 17.6 | 0 | 0 | 112.1 | C140 M141 E143 D402 K403 C404 | C140-Q400 PolarHBondContact O-NE2 3.37Å; M141-Q400 HydrophobicContact SD-CG 4.12Å; E143-Q400 HydrophobicContact CG-CB 4.42Å; E143-Q400 HydrophobicContact CG-CG 3.79Å; Q400-D402 PolarHBondContact O-N 3.32Å; Q400-K403 PolarHBondContact O-N 2.99Å; Q400-C404 WeakPolarHBondContact O-CB 3.27Å; Q400-C404 PolarHBondContact O-N 2.77Å; Q400-C404 PolarHBondContact O-SG 3.13Å |
| 401 | W | 97.8 | Very high | 95.9 | Very high | 44 Ų | 44 | 29 Ų | 29 | 17% | 0.167 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.5 | -37.8 | 179.4 | 71.8 | -100 | 0 | 0 | 0 | 112.2 | H107 D110 L111 K114 Y137 M141 P399 C404 V405 | H107-W401 AromaticContact CE1-CH2 3.58Å; H107-W401 AromaticContact CE1-CZ2 3.69Å; D110-W401 HydrophobicContact CB-CH2 4.49Å; D110-W401 HydrophobicContact CB-CZ3 4.1Å; L111-W401 HydrophobicContact CD2-CH2 3.61Å; L111-W401 HydrophobicContact CD2-CZ2 3.83Å; L111-W401 HydrophobicContact CD2-CZ3 4.31Å; L111-W401 HydrophobicContact CG-CH2 4.13Å; K114-W401 HydrophobicContact CB-CE3 3.97Å; K114-W401 HydrophobicContact CB-CZ3 4.24Å; K114-W401 HydrophobicContact CD-CB 4.32Å; K114-W401 HydrophobicContact CD-CD2 3.59Å; K114-W401 HydrophobicContact CD-CE3 3.53Å; K114-W401 HydrophobicContact CD-CG 3.96Å; K114-W401 HydrophobicContact CD-CZ3 4.09Å; K114-W401 VanDerWaalsContact CE-CG 3.5Å; K114-W401 HydrophobicContact CG-CD2 4.34Å; K114-W401 HydrophobicContact CG-CE3 3.94Å; Y137-W401 WeakPolarHBondContact OH-CB 3.33Å; M141-W401 HydrophobicContact CE-CB 4.02Å; M141-W401 WeakPolarHBondContact SD-CA 3.41Å; M141-W401 HydrophobicContact SD-CB 3.92Å; P399-W401 VanDerWaalsContact C-N 3.31Å; P399-W401 HydrophobicContact CB-CG 4.38Å; P399-W401 PolarHBondContact O-N 2.83Å; W401-C404 PolarHBondContact O-N 3.43Å; W401-V405 HydrophobicContact CE3-CG2 4.07Å; W401-V405 HydrophobicContact CZ3-CG2 4.37Å; W401-V405 WeakPolarHBondContact O-CG2 3.42Å; W401-V405 PolarHBondContact O-N 2.82Å |
| 402 | D | 96.8 | Very high | 96 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69 | -48 | -176 | -157 | 13.9 | 0 | 0 | 0 | 110 | P399 Q400 C404 V405 D406 | P399-D402 HydrophobicContact CB-CB 4.39Å; P399-D402 WeakPolarHBondContact O-CB 3.39Å; P399-D402 PolarHBondContact O-N 2.91Å; P399-D402 VanDerWaalsContact O-N 3.16Å; Q400-D402 PolarHBondContact O-N 3.32Å; D402-C404 PolarHBondContact O-N 3.33Å; D402-C404 VanDerWaalsContact O-N 3.17Å; D402-V405 PolarHBondContact O-N 2.92Å; D402-V405 VanDerWaalsContact O-N 3.11Å; D402-D406 PolarHBondContact O-N 3.18Å |
| 403 | K | 95.4 | Very high | 96 | Very high | 36 Ų | 36 | 28.5 Ų | 28.5 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.3 | -36.6 | 170.8 | -64.9 | 172.5 | -177.7 | 156.4 | 0 | 112.8 | L398 P399 Q400 L407 | L398-K403 HydrophobicContact CB-CG 4.11Å; L398-K403 WeakPolarHBondContact O-CE 3.5Å; L398-K403 PolarHBondContact O-NZ 3.2Å; P399-K403 PolarHBondContact O-N 3.31Å; Q400-K403 PolarHBondContact O-N 2.99Å; K403-L407 WeakPolarHBondContact O-CB 3.38Å; K403-L407 PolarHBondContact O-N 3.36Å |
| 404 | C | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -76.5 | -33.8 | -179.6 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | Y137 C140 M141 Q400 W401 D402 V408 | Y137-C404 HydrophobicContact CD2-CB 3.68Å; Y137-C404 HydrophobicContact CE2-CB 3.66Å; C140-C404 HydrophobicContact CB-CB 3.67Å; C140-C404 WeakPolarHBondContact CB-SG 3.26Å; C140-C404 PolarHBondContact O-SG 3.5Å; C140-C404 WeakPolarHBondContact SG-CA 3.25Å; C140-C404 WeakPolarHBondContact SG-CB 3.41Å; C140-C404 CovalentContact SG-SG 2.03Å; C140-C404 PolarHBondContact SG-SG 3.32Å; M141-C404 HydrophobicContact CG-CB 4.39Å; M141-C404 HydrophobicContact SD-CB 4.08Å; Q400-C404 WeakPolarHBondContact O-CB 3.27Å; Q400-C404 PolarHBondContact O-N 2.77Å; Q400-C404 PolarHBondContact O-SG 3.13Å; W401-C404 PolarHBondContact O-N 3.43Å; D402-C404 PolarHBondContact O-N 3.33Å; D402-C404 VanDerWaalsContact O-N 3.17Å; C404-V408 VanDerWaalsContact O-CG2 3.26Å; C404-V408 WeakPolarHBondContact O-CG2 3.31Å; C404-V408 PolarHBondContact O-N 2.9Å; C404-V408 VanDerWaalsContact O-N 3.16Å |
| 405 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -50.9 | 169.2 | 170.8 | 0 | 0 | 0 | 0 | 109.6 | D110 L113 K114 L117 Y137 W401 D402 L407 V408 E409 | D110-V405 HydrophobicContact CB-CG1 4.14Å; L113-V405 HydrophobicContact CB-CG1 3.86Å; L113-V405 HydrophobicContact CD1-CG1 3.92Å; K114-V405 HydrophobicContact CB-CG2 4.02Å; L117-V405 HydrophobicContact CD1-CG2 4.27Å; Y137-V405 HydrophobicContact CE2-CG2 4.01Å; W401-V405 HydrophobicContact CE3-CG2 4.07Å; W401-V405 HydrophobicContact CZ3-CG2 4.37Å; W401-V405 WeakPolarHBondContact O-CG2 3.42Å; W401-V405 PolarHBondContact O-N 2.82Å; D402-V405 PolarHBondContact O-N 2.92Å; D402-V405 VanDerWaalsContact O-N 3.11Å; V405-L407 VanDerWaalsContact C-N 3.28Å; V405-L407 PolarHBondContact O-N 3.33Å; V405-V408 PolarHBondContact O-N 3.24Å; V405-V408 VanDerWaalsContact O-N 3.08Å; V405-E409 PolarHBondContact O-N 3.22Å |
| 406 | D | 96.4 | Very high | 96.3 | Very high | 72 Ų | 72 | 27.6 Ų | 27.6 | 39% | 0.385 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -57.1 | -40.2 | 178.5 | -81.8 | -14.9 | 0 | 0 | 0 | 112.7 | R106 D402 G410 | R106-D406 IonicContact NH2-OD1 3.98Å; R106-D406 PolarHBondContact NH2-OD1 3.16Å; R106-D406 VanDerWaalsContact NH2-OD1 3.08Å; D402-D406 PolarHBondContact O-N 3.18Å; D406-G410 PolarHBondContact O-N 2.74Å |
| 407 | L | 96.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 24.5 Ų | 24.5 | 12% | 0.115 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.5 | -49.6 | 175 | 172.6 | 66.3 | 0 | 0 | 0 | 111.9 | L136 C140 K403 V405 G410 A411 Y500 V504 | L136-L407 HydrophobicContact CD1-CD2 4.06Å; L136-L407 HydrophobicContact CD1-CG 4.49Å; L136-L407 HydrophobicContact CD2-CG 4.41Å; L136-L407 HydrophobicContact CG-CD2 4.26Å; L136-L407 HydrophobicContact CG-CG 4.4Å; C140-L407 HydrophobicContact CB-CD2 4Å; K403-L407 WeakPolarHBondContact O-CB 3.38Å; K403-L407 PolarHBondContact O-N 3.36Å; V405-L407 VanDerWaalsContact C-N 3.28Å; V405-L407 PolarHBondContact O-N 3.33Å; L407-G410 PolarHBondContact O-N 3.46Å; L407-A411 WeakPolarHBondContact O-CB 3.5Å; L407-A411 PolarHBondContact O-N 2.93Å; L407-Y500 HydrophobicContact CD2-CD2 4.26Å; L407-Y500 HydrophobicContact CD2-CE2 3.43Å; L407-Y500 VanDerWaalsContact CD2-CE2 3.43Å; L407-V504 HydrophobicContact CD1-CG2 4.05Å; L407-V504 HydrophobicContact CD2-CG2 4.29Å |
| 408 | V | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.4 | -39 | -175.4 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | L117 A133 L136 Y137 C404 V405 A411 L412 V416 | L117-V408 HydrophobicContact CD1-CB 4.36Å; L117-V408 HydrophobicContact CD1-CG1 4.4Å; L117-V408 HydrophobicContact CD2-CG1 4.07Å; A133-V408 HydrophobicContact CB-CG1 3.85Å; L136-V408 HydrophobicContact CB-CG2 4.15Å; L136-V408 HydrophobicContact CD2-CG2 4.06Å; L136-V408 HydrophobicContact CG-CG2 3.91Å; Y137-V408 HydrophobicContact CD2-CG2 4.47Å; C404-V408 VanDerWaalsContact O-CG2 3.26Å; C404-V408 WeakPolarHBondContact O-CG2 3.31Å; C404-V408 PolarHBondContact O-N 2.9Å; C404-V408 VanDerWaalsContact O-N 3.16Å; V405-V408 PolarHBondContact O-N 3.24Å; V405-V408 VanDerWaalsContact O-N 3.08Å; V408-A411 PolarHBondContact O-N 3.02Å; V408-L412 WeakPolarHBondContact O-CA 3.45Å; V408-L412 PolarHBondContact O-N 3.22Å; V408-V416 HydrophobicContact CG1-CG1 3.61Å |
| 409 | E | 96.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 22.1 Ų | 22.1 | 8% | 0.084 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 175.3 | -178.1 | 170.5 | 178.4 | 0 | 0 | 112.1 | R106 V405 A411 P413 V416 T533 | R106-E409 IonicContact CZ-OE1 3.18Å; R106-E409 IonicContact CZ-OE2 3.89Å; R106-E409 VanDerWaalsContact NH1-CD 3.34Å; R106-E409 IonicContact NH1-OE1 3.99Å; R106-E409 PolarHBondContact NH1-OE1 2.91Å; R106-E409 IonicContact NH1-OE2 2.82Å; R106-E409 PolarHBondContact NH1-OE2 3.4Å; R106-E409 IonicContact NH2-OE1 2.82Å; R106-E409 IonicContact NH2-OE2 2.86Å; R106-E409 PolarHBondContact NH2-OE2 3.17Å; V405-E409 PolarHBondContact O-N 3.22Å; E409-A411 VanDerWaalsContact C-N 3.28Å; E409-A411 PolarHBondContact O-N 3Å; E409-P413 VanDerWaalsContact O-CA 3.22Å; E409-P413 WeakPolarHBondContact O-CA 3.32Å; E409-P413 WeakPolarHBondContact O-CB 3.22Å; E409-P413 WeakPolarHBondContact O-CD 3.38Å; E409-V416 HydrophobicContact CB-CG2 4.08Å; E409-V416 HydrophobicContact CG-CG2 4.01Å; E409-T533 WeakPolarHBondContact OE1-CB 3.4Å; E409-T533 PolarHBondContact OE1-OG1 3.02Å |
| 410 | G | 94.5 | Very high | 96.9 | Very high | 58 Ų | 58 | 20 Ų | 20 | 60% | 0.598 | 11% | 0.112 | S | C | * | . | H | α-helix | trans | -66.3 | -29.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | D406 L407 | D406-G410 PolarHBondContact O-N 2.74Å; L407-G410 PolarHBondContact O-N 3.46Å |
| 411 | A | 95.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 19 Ų | 19 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -84.1 | -40.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L136 L407 V408 E409 T507 | L136-A411 HydrophobicContact CD2-CB 3.58Å; L407-A411 WeakPolarHBondContact O-CB 3.5Å; L407-A411 PolarHBondContact O-N 2.93Å; V408-A411 PolarHBondContact O-N 3.02Å; E409-A411 VanDerWaalsContact C-N 3.28Å; E409-A411 PolarHBondContact O-N 3Å; A411-T507 HydrophobicContact CB-CG2 3.44Å; A411-T507 VanDerWaalsContact CB-CG2 3.44Å |
| 412 | L | 97.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | trans | -136.1 | 54.3 | -168.6 | -58.8 | 178.2 | 0 | 0 | 0 | 111.2 | A133 V408 Y414 V415 V416 I490 M493 F495 | A133-L412 HydrophobicContact CB-CD1 3.79Å; V408-L412 WeakPolarHBondContact O-CA 3.45Å; V408-L412 PolarHBondContact O-N 3.22Å; L412-Y414 VanDerWaalsContact C-N 3.3Å; L412-Y414 PolarHBondContact O-N 3.47Å; L412-V415 HydrophobicContact CB-CB 3.94Å; L412-V415 HydrophobicContact CB-CG2 3.83Å; L412-V415 HydrophobicContact CD1-CG2 4.48Å; L412-V415 HydrophobicContact CD2-CG2 4.41Å; L412-V415 HydrophobicContact CG-CG2 4.49Å; L412-V415 WeakPolarHBondContact O-CB 3.46Å; L412-V415 PolarHBondContact O-N 3.06Å; L412-V416 PolarHBondContact O-N 2.91Å; L412-V416 VanDerWaalsContact O-N 3.12Å; L412-I490 HydrophobicContact CD2-CB 4.37Å; L412-I490 HydrophobicContact CD2-CD1 4.11Å; L412-I490 HydrophobicContact CD2-CG2 3.91Å; L412-M493 HydrophobicContact CD2-CE 3.61Å; L412-F495 HydrophobicContact CD1-CE2 4.07Å; L412-F495 HydrophobicContact CD2-CE2 4.32Å; L412-F495 HydrophobicContact CG-CE2 4.43Å | ||
| 413 | P | 96 | Very high | 96.8 | Very high | 38 Ų | 38 | 24.1 Ų | 24.1 | 25% | 0.247 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.4 | -40.4 | -169.3 | 21.2 | -33.2 | 0 | 0 | 0 | 112.9 | E409 V416 G417 S531 | E409-P413 VanDerWaalsContact O-CA 3.22Å; E409-P413 WeakPolarHBondContact O-CA 3.32Å; E409-P413 WeakPolarHBondContact O-CB 3.22Å; E409-P413 WeakPolarHBondContact O-CD 3.38Å; P413-V416 VanDerWaalsContact O-CG2 3.3Å; P413-V416 WeakPolarHBondContact O-CG2 3.43Å; P413-G417 WeakPolarHBondContact O-CA 3.35Å; P413-G417 PolarHBondContact O-N 3Å; P413-S531 PolarHBondContact O-OG 3.27Å |
| 414 | Y | 96.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 25.6 Ų | 25.6 | 18% | 0.176 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.8 | -26.3 | 180 | -57.5 | -55.4 | 0 | 0 | 0 | 113.5 | L412 K418 P477 F479 I480 F529 | L412-Y414 VanDerWaalsContact C-N 3.3Å; L412-Y414 PolarHBondContact O-N 3.47Å; Y414-K418 WeakPolarHBondContact O-CB 3.48Å; Y414-K418 PolarHBondContact O-N 2.96Å; Y414-P477 HydrophobicContact CE1-CG 4.34Å; Y414-F479 HydrophobicContact CD1-CE2 4.03Å; Y414-F479 HydrophobicContact CD1-CZ 4.05Å; Y414-F479 HydrophobicContact CD2-CE2 4.13Å; Y414-F479 HydrophobicContact CD2-CZ 4.47Å; Y414-F479 HydrophobicContact CE1-CE2 4.25Å; Y414-F479 AromaticContact CE1-CZ 3.83Å; Y414-F479 HydrophobicContact CE1-CZ 3.83Å; Y414-F479 HydrophobicContact CE2-CE2 4.35Å; Y414-F479 HydrophobicContact CE2-CZ 4.27Å; Y414-F479 AromaticContact CG-CE2 3.97Å; Y414-F479 HydrophobicContact CG-CE2 3.97Å; Y414-F479 HydrophobicContact CG-CZ 4.37Å; Y414-F479 AromaticContact CZ-CZ 3.95Å; Y414-I480 HydrophobicContact CD1-CG2 3.73Å; Y414-I480 HydrophobicContact CG-CG2 4.08Å; Y414-F529 WeakPolarHBondContact OH-CA 3.09Å; Y414-F529 VanDerWaalsContact OH-CB 3.28Å; Y414-F529 WeakPolarHBondContact OH-CB 3.3Å |
| 415 | V | 97.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.8 | -51.6 | 175.7 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | A129 V130 A133 L412 G417 K418 M419 I486 I490 | A129-V415 HydrophobicContact CB-CG1 3.97Å; A129-V415 HydrophobicContact CB-CG2 3.98Å; A129-V415 WeakPolarHBondContact O-CG1 3.34Å; V130-V415 HydrophobicContact CG2-CG1 4.33Å; A133-V415 HydrophobicContact CB-CG1 3.94Å; L412-V415 HydrophobicContact CB-CB 3.94Å; L412-V415 HydrophobicContact CB-CG2 3.83Å; L412-V415 HydrophobicContact CD1-CG2 4.48Å; L412-V415 HydrophobicContact CD2-CG2 4.41Å; L412-V415 HydrophobicContact CG-CG2 4.49Å; L412-V415 WeakPolarHBondContact O-CB 3.46Å; L412-V415 PolarHBondContact O-N 3.06Å; V415-G417 VanDerWaalsContact C-N 3.27Å; V415-G417 PolarHBondContact O-N 2.87Å; V415-K418 WeakPolarHBondContact O-CB 3.46Å; V415-K418 PolarHBondContact O-N 3.47Å; V415-M419 HydrophobicContact CG1-SD 4.46Å; V415-M419 WeakPolarHBondContact O-CG 3.36Å; V415-M419 PolarHBondContact O-N 3.16Å; V415-I486 HydrophobicContact CG2-CG2 3.66Å; V415-I490 HydrophobicContact CG2-CD1 3.99Å |
| 416 | V | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -34.1 | 176.8 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | L113 V408 E409 L412 P413 M419 F420 T533 | L113-V416 HydrophobicContact CD2-CB 4.19Å; V408-V416 HydrophobicContact CG1-CG1 3.61Å; E409-V416 HydrophobicContact CB-CG2 4.08Å; E409-V416 HydrophobicContact CG-CG2 4.01Å; L412-V416 PolarHBondContact O-N 2.91Å; L412-V416 VanDerWaalsContact O-N 3.12Å; P413-V416 VanDerWaalsContact O-CG2 3.3Å; P413-V416 WeakPolarHBondContact O-CG2 3.43Å; V416-M419 WeakPolarHBondContact O-CB 3.29Å; V416-M419 PolarHBondContact O-N 3.17Å; V416-F420 WeakPolarHBondContact O-CB 3.48Å; V416-F420 PolarHBondContact O-N 3.11Å; V416-T533 HydrophobicContact CG2-CG2 4.36Å |
| 417 | G | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56 | -50.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P413 V415 M419 F420 V421 | P413-G417 WeakPolarHBondContact O-CA 3.35Å; P413-G417 PolarHBondContact O-N 3Å; V415-G417 VanDerWaalsContact C-N 3.27Å; V415-G417 PolarHBondContact O-N 2.87Å; G417-M419 VanDerWaalsContact C-N 3.34Å; G417-M419 PolarHBondContact O-N 3.1Å; G417-F420 PolarHBondContact O-N 3.02Å; G417-V421 WeakPolarHBondContact O-CB 3.4Å; G417-V421 VanDerWaalsContact O-CG2 3.25Å; G417-V421 WeakPolarHBondContact O-CG2 3.41Å; G417-V421 PolarHBondContact O-N 3.48Å |
| 418 | K | 97.1 | Very high | 94.9 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 174.7 | -179.8 | -175.4 | -175.1 | 154.8 | 0 | 111.3 | Y414 V415 F420 V421 N422 I480 M481 D483 I486 | Y414-K418 WeakPolarHBondContact O-CB 3.48Å; Y414-K418 PolarHBondContact O-N 2.96Å; V415-K418 WeakPolarHBondContact O-CB 3.46Å; V415-K418 PolarHBondContact O-N 3.47Å; K418-F420 PolarHBondContact O-N 3.04Å; K418-V421 PolarHBondContact O-N 3.03Å; K418-N422 WeakPolarHBondContact O-CB 3.32Å; K418-N422 PolarHBondContact O-N 2.87Å; K418-I480 HydrophobicContact CB-CD1 4.49Å; K418-I480 HydrophobicContact CB-CG1 4.45Å; K418-I480 VanDerWaalsContact CD-O 3.3Å; K418-I480 WeakPolarHBondContact CD-O 3.06Å; K418-M481 HydrophobicContact CG-SD 4.09Å; K418-M481 PolarHBondContact NZ-O 3.35Å; K418-D483 IonicContact NZ-OD1 3.36Å; K418-D483 PolarHBondContact NZ-OD1 3.04Å; K418-D483 IonicContact NZ-OD2 3.57Å; K418-D483 PolarHBondContact NZ-OD2 2.78Å; K418-I486 HydrophobicContact CB-CD1 4.36Å; K418-I486 HydrophobicContact CD-CD1 4.14Å |
| 419 | M | 97.8 | Very high | 94.4 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 179.1 | -67.9 | 172.6 | 62.8 | 0 | 0 | 111.6 | L116 L117 V130 A133 V415 V416 G417 A423 | L116-M419 HydrophobicContact CB-CE 3.81Å; L116-M419 HydrophobicContact CD1-CB 4.22Å; L117-M419 HydrophobicContact CD2-CE 4.1Å; V130-M419 HydrophobicContact CB-SD 4.47Å; V130-M419 HydrophobicContact CG1-CE 4.25Å; V130-M419 HydrophobicContact CG1-CG 4.48Å; V130-M419 HydrophobicContact CG1-SD 3.98Å; V130-M419 HydrophobicContact CG2-CG 3.95Å; V130-M419 HydrophobicContact CG2-SD 4.15Å; A133-M419 HydrophobicContact CB-SD 4.45Å; V415-M419 HydrophobicContact CG1-SD 4.46Å; V415-M419 WeakPolarHBondContact O-CG 3.36Å; V415-M419 PolarHBondContact O-N 3.16Å; V416-M419 WeakPolarHBondContact O-CB 3.29Å; V416-M419 PolarHBondContact O-N 3.17Å; G417-M419 VanDerWaalsContact C-N 3.34Å; G417-M419 PolarHBondContact O-N 3.1Å; M419-A423 WeakPolarHBondContact O-CB 3.06Å; M419-A423 PolarHBondContact O-N 3.43Å |
| 420 | F | 97.8 | Very high | 94 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -49.6 | 179.3 | 179.8 | -93.3 | 0 | 0 | 0 | 111.9 | V109 K112 L113 V416 G417 K418 N422 A423 H424 T533 A550 | V109-F420 HydrophobicContact CB-CE2 4.45Å; V109-F420 HydrophobicContact CG1-CD2 4.24Å; V109-F420 HydrophobicContact CG1-CE2 3.9Å; V109-F420 HydrophobicContact CG1-CZ 4.49Å; V109-F420 HydrophobicContact CG2-CE2 4.19Å; V109-F420 HydrophobicContact CG2-CZ 4.23Å; K112-F420 HydrophobicContact CB-CE2 4.34Å; K112-F420 HydrophobicContact CD-CE2 3.95Å; L113-F420 HydrophobicContact CD2-CB 3.98Å; L113-F420 HydrophobicContact CD2-CD2 4.24Å; V416-F420 WeakPolarHBondContact O-CB 3.48Å; V416-F420 PolarHBondContact O-N 3.11Å; G417-F420 PolarHBondContact O-N 3.02Å; K418-F420 PolarHBondContact O-N 3.04Å; F420-N422 PolarHBondContact O-N 2.92Å; F420-A423 PolarHBondContact O-N 2.69Å; F420-A423 VanDerWaalsContact O-N 3.14Å; F420-H424 HydrophobicContact CD2-CB 4.38Å; F420-H424 AromaticContact CD2-CD2 3.95Å; F420-H424 HydrophobicContact CE1-CB 4.42Å; F420-H424 HydrophobicContact CE2-CB 4.11Å; F420-H424 HydrophobicContact CZ-CB 4.13Å; F420-H424 WeakPolarHBondContact O-CB 3.25Å; F420-H424 PolarHBondContact O-N 2.89Å; F420-T533 HydrophobicContact CB-CG2 3.68Å; F420-T533 HydrophobicContact CD1-CG2 4.42Å; F420-T533 HydrophobicContact CD2-CG2 4.36Å; F420-T533 HydrophobicContact CG-CG2 3.92Å; F420-A550 HydrophobicContact CD1-CB 4.35Å; F420-A550 HydrophobicContact CE1-CB 4.09Å |
| 421 | V | 96.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | -178.3 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | G417 K418 A423 H424 F425 Y476 M481 P532 A550 | G417-V421 WeakPolarHBondContact O-CB 3.4Å; G417-V421 VanDerWaalsContact O-CG2 3.25Å; G417-V421 WeakPolarHBondContact O-CG2 3.41Å; G417-V421 PolarHBondContact O-N 3.48Å; K418-V421 PolarHBondContact O-N 3.03Å; V421-A423 PolarHBondContact O-N 2.72Å; V421-A423 VanDerWaalsContact O-N 3.14Å; V421-H424 PolarHBondContact O-N 3.01Å; V421-F425 HydrophobicContact CB-CB 4.23Å; V421-F425 HydrophobicContact CG1-CB 3.94Å; V421-F425 HydrophobicContact CG1-CD1 4.15Å; V421-F425 HydrophobicContact CG1-CG 4.38Å; V421-F425 HydrophobicContact CG2-CB 4.39Å; V421-F425 WeakPolarHBondContact O-CB 3.45Å; V421-F425 PolarHBondContact O-N 2.75Å; V421-Y476 HydrophobicContact CB-CD1 4.3Å; V421-Y476 HydrophobicContact CG1-CD1 3.44Å; V421-Y476 VanDerWaalsContact CG1-CD1 3.44Å; V421-Y476 HydrophobicContact CG1-CE1 3.41Å; V421-Y476 VanDerWaalsContact CG1-CE1 3.41Å; V421-Y476 HydrophobicContact CG1-CG 4.04Å; V421-Y476 HydrophobicContact CG2-CD1 3.84Å; V421-Y476 HydrophobicContact CG2-CG 3.99Å; V421-M481 HydrophobicContact CB-CE 3.82Å; V421-M481 HydrophobicContact CG1-CE 3.24Å; V421-P532 HydrophobicContact CG2-CB 3.8Å; V421-P532 HydrophobicContact CG2-CG 4.45Å; V421-A550 HydrophobicContact CG2-CB 4.11Å |
| 422 | N | 95.8 | Very high | 93.4 | Very high | 108 Ų | 108 | 43.2 Ų | 43.2 | 58% | 0.578 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -59.4 | -27.6 | 178.6 | -76.8 | -13.7 | 0 | 0 | 0 | 113.6 | K418 F420 | K418-N422 WeakPolarHBondContact O-CB 3.32Å; K418-N422 PolarHBondContact O-N 2.87Å; F420-N422 PolarHBondContact O-N 2.92Å |
| 423 | A | 96 | Very high | 93.2 | Very high | 52 Ų | 52 | 43 Ų | 43 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -99 | -28.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | L116 M419 F420 V421 | L116-A423 HydrophobicContact CD1-CB 4.05Å; L116-A423 HydrophobicContact CD2-CB 3.87Å; M419-A423 WeakPolarHBondContact O-CB 3.06Å; M419-A423 PolarHBondContact O-N 3.43Å; F420-A423 PolarHBondContact O-N 2.69Å; F420-A423 VanDerWaalsContact O-N 3.14Å; V421-A423 PolarHBondContact O-N 2.72Å; V421-A423 VanDerWaalsContact O-N 3.14Å |
| 424 | H | 94.9 | Very high | 93 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 31% | 0.31 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -137.5 | -4.7 | -162.8 | -61.5 | -55.6 | 0 | 0 | 0 | 115.2 | F420 V421 | F420-H424 HydrophobicContact CD2-CB 4.38Å; F420-H424 AromaticContact CD2-CD2 3.95Å; F420-H424 HydrophobicContact CE1-CB 4.42Å; F420-H424 HydrophobicContact CE2-CB 4.11Å; F420-H424 HydrophobicContact CZ-CB 4.13Å; F420-H424 WeakPolarHBondContact O-CB 3.25Å; F420-H424 PolarHBondContact O-N 2.89Å; V421-H424 PolarHBondContact O-N 3.01Å |
| 425 | F | 93.1 | Very high | 92.8 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | trans | -108 | 136.7 | 178.8 | -171.7 | -99.9 | 0 | 0 | 0 | 111 | V421 K429 K430 Y476 A550 L553 | V421-F425 HydrophobicContact CB-CB 4.23Å; V421-F425 HydrophobicContact CG1-CB 3.94Å; V421-F425 HydrophobicContact CG1-CD1 4.15Å; V421-F425 HydrophobicContact CG1-CG 4.38Å; V421-F425 HydrophobicContact CG2-CB 4.39Å; V421-F425 WeakPolarHBondContact O-CB 3.45Å; V421-F425 PolarHBondContact O-N 2.75Å; F425-K429 HydrophobicContact CD2-CD 4.31Å; F425-K429 HydrophobicContact CE2-CB 4.21Å; F425-K429 HydrophobicContact CE2-CD 3.98Å; F425-K429 HydrophobicContact CZ-CB 4.14Å; F425-K430 HydrophobicContact CE1-CG 4.28Å; F425-K430 HydrophobicContact CZ-CG 4.18Å; F425-Y476 HydrophobicContact CD1-CD1 4.18Å; F425-Y476 HydrophobicContact CD1-CE1 4Å; F425-Y476 HydrophobicContact CE1-CD1 4.28Å; F425-Y476 HydrophobicContact CE1-CE1 4.11Å; F425-A550 HydrophobicContact CB-CB 4.35Å; F425-A550 HydrophobicContact CD2-CB 3.44Å; F425-A550 VanDerWaalsContact CD2-CB 3.44Å; F425-A550 HydrophobicContact CE2-CB 3.92Å; F425-A550 HydrophobicContact CG-CB 3.96Å; F425-L553 HydrophobicContact CE2-CB 4.28Å; F425-L553 HydrophobicContact CE2-CD1 3.8Å; F425-L553 HydrophobicContact CZ-CD1 4.25Å | ||
| 426 | Q | 88.8 | Confident | 92.7 | Very high | 122 Ų | 122 | 48 Ų | 48 | 57% | 0.57 | 24% | 0.238 | S | C | * | . | trans | -113.1 | 138 | 177.4 | -64.8 | 172.1 | -40.8 | 0 | 0 | 108.6 | D428 K429 | Q426-D428 WeakPolarHBondContact CB-OD1 3.41Å; Q426-D428 PolarHBondContact O-N 3.43Å; Q426-K429 WeakPolarHBondContact O-CB 3.29Å; Q426-K429 WeakPolarHBondContact O-CG 3.39Å; Q426-K429 PolarHBondContact O-N 3.43Å | ||
| 427 | E | 84.9 | Confident | 92.6 | Very high | 95 Ų | 95 | 48.1 Ų | 48.1 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -28.8 | -171.6 | -73 | -65.2 | 123.3 | 0 | 0 | 113.6 | K429 K430 Y476 | E427-K429 PolarHBondContact O-N 3.32Å; E427-K429 VanDerWaalsContact O-N 3.15Å; E427-K430 VanDerWaalsContact CD-NZ 3.28Å; E427-K430 VanDerWaalsContact O-CB 3.3Å; E427-K430 WeakPolarHBondContact O-CB 3.08Å; E427-K430 PolarHBondContact O-N 3.09Å; E427-K430 IonicContact OE1-NZ 2.99Å; E427-K430 PolarHBondContact OE1-NZ 2.89Å; E427-K430 WeakPolarHBondContact OE2-CD 3.42Å; E427-K430 WeakPolarHBondContact OE2-CE 3.07Å; E427-K430 IonicContact OE2-NZ 2.73Å; E427-K430 PolarHBondContact OE2-NZ 3.04Å; E427-Y476 VanDerWaalsContact OE1-CE1 3.24Å; E427-Y476 WeakPolarHBondContact OE1-CE1 3.47Å; E427-Y476 PolarHBondContact OE1-OH 3.35Å |
| 428 | D | 83.3 | Confident | 92.6 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.4 | -28 | 176.1 | 64.4 | -28.3 | 0 | 0 | 0 | 113.2 | Q426 K430 E431 | Q426-D428 WeakPolarHBondContact CB-OD1 3.41Å; Q426-D428 PolarHBondContact O-N 3.43Å; D428-K430 PolarHBondContact O-N 3.28Å; D428-E431 PolarHBondContact O-N 3.38Å |
| 429 | K | 87.3 | Confident | 92.7 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 12% | 0.122 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -28.6 | 173.1 | -61.6 | -173.3 | 176.1 | -177.4 | 0 | 112.9 | F425 Q426 E427 M433 L553 F558 | F425-K429 HydrophobicContact CD2-CD 4.31Å; F425-K429 HydrophobicContact CE2-CB 4.21Å; F425-K429 HydrophobicContact CE2-CD 3.98Å; F425-K429 HydrophobicContact CZ-CB 4.14Å; Q426-K429 WeakPolarHBondContact O-CB 3.29Å; Q426-K429 WeakPolarHBondContact O-CG 3.39Å; Q426-K429 PolarHBondContact O-N 3.43Å; E427-K429 PolarHBondContact O-N 3.32Å; E427-K429 VanDerWaalsContact O-N 3.15Å; K429-M433 WeakPolarHBondContact O-CG 3.45Å; K429-M433 PolarHBondContact O-N 3.1Å; K429-L553 HydrophobicContact CD-CB 4.43Å; K429-L553 PolarHBondContact NZ-O 3.09Å; K429-F558 HydrophobicContact CB-CE1 4.18Å; K429-F558 HydrophobicContact CB-CZ 3.93Å; K429-F558 HydrophobicContact CD-CD1 4.33Å; K429-F558 HydrophobicContact CD-CE1 4.08Å; K429-F558 HydrophobicContact CG-CD1 4.45Å; K429-F558 HydrophobicContact CG-CE1 3.72Å; K429-F558 HydrophobicContact CG-CZ 3.98Å |
| 430 | K | 87.9 | Confident | 92.7 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 18% | 0.183 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 179.1 | -68.4 | 178.2 | 176.2 | 160.4 | 0 | 111.5 | F425 E427 D428 M432 M433 E434 V474 Y476 | F425-K430 HydrophobicContact CE1-CG 4.28Å; F425-K430 HydrophobicContact CZ-CG 4.18Å; E427-K430 VanDerWaalsContact CD-NZ 3.28Å; E427-K430 VanDerWaalsContact O-CB 3.3Å; E427-K430 WeakPolarHBondContact O-CB 3.08Å; E427-K430 PolarHBondContact O-N 3.09Å; E427-K430 IonicContact OE1-NZ 2.99Å; E427-K430 PolarHBondContact OE1-NZ 2.89Å; E427-K430 WeakPolarHBondContact OE2-CD 3.42Å; E427-K430 WeakPolarHBondContact OE2-CE 3.07Å; E427-K430 IonicContact OE2-NZ 2.73Å; E427-K430 PolarHBondContact OE2-NZ 3.04Å; D428-K430 PolarHBondContact O-N 3.28Å; K430-M432 VanDerWaalsContact C-N 3.35Å; K430-M432 PolarHBondContact O-N 2.99Å; K430-M433 PolarHBondContact O-N 3Å; K430-M433 VanDerWaalsContact O-N 3.13Å; K430-E434 WeakPolarHBondContact O-CG 3.33Å; K430-E434 PolarHBondContact O-N 3.39Å; K430-V474 HydrophobicContact CG-CB 4.4Å; K430-V474 HydrophobicContact CG-CG1 4.09Å; K430-Y476 VanDerWaalsContact NZ-CE1 3.32Å; K430-Y476 PolarHBondContact NZ-OH 2.77Å |
| 431 | E | 87.9 | Confident | 92.8 | Very high | 143 Ų | 143 | 52.2 Ų | 52.2 | 67% | 0.668 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | -179.5 | -60.7 | -178.5 | 178.1 | 0 | 0 | 111.3 | D428 M433 E434 E435 | D428-E431 PolarHBondContact O-N 3.38Å; E431-M433 VanDerWaalsContact C-N 3.34Å; E431-M433 PolarHBondContact O-N 2.97Å; E431-E434 PolarHBondContact O-N 2.82Å; E431-E435 PolarHBondContact O-N 2.83Å |
| 432 | M | 90 | Very high | 92.8 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.6 | 176.3 | 169.4 | 173.2 | 0 | 0 | 112.5 | K430 E434 E435 L436 F558 T561 R565 S568 | K430-M432 VanDerWaalsContact C-N 3.35Å; K430-M432 PolarHBondContact O-N 2.99Å; M432-E434 VanDerWaalsContact C-N 3.32Å; M432-E435 PolarHBondContact O-N 2.82Å; M432-L436 HydrophobicContact CE-CD1 4.18Å; M432-L436 HydrophobicContact CG-CD1 4.22Å; M432-L436 WeakPolarHBondContact O-CB 3.03Å; M432-L436 VanDerWaalsContact O-CG 3.32Å; M432-L436 WeakPolarHBondContact O-CG 3.27Å; M432-L436 PolarHBondContact O-N 3.46Å; M432-F558 HydrophobicContact CB-CE2 4.21Å; M432-F558 HydrophobicContact CB-CZ 3.99Å; M432-F558 HydrophobicContact CE-CE2 4.18Å; M432-F558 HydrophobicContact CE-CZ 4.33Å; M432-F558 HydrophobicContact CG-CE2 3.91Å; M432-F558 HydrophobicContact CG-CZ 3.94Å; M432-F558 HydrophobicContact SD-CE1 4.15Å; M432-F558 HydrophobicContact SD-CE2 3.71Å; M432-F558 HydrophobicContact SD-CZ 3.39Å; M432-F558 WeakPolarHBondContact SD-CZ 3.31Å; M432-T561 HydrophobicContact SD-CG2 4.19Å; M432-R565 PolarHBondContact SD-NH1 3.43Å; M432-S568 WeakPolarHBondContact CE-OG 3.3Å |
| 433 | M | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.6 | -33.7 | 176.4 | -75.1 | -60.7 | -60 | 0 | 0 | 112.5 | K429 K430 E431 L436 T437 V474 F548 L553 F558 I572 V576 | K429-M433 WeakPolarHBondContact O-CG 3.45Å; K429-M433 PolarHBondContact O-N 3.1Å; K430-M433 PolarHBondContact O-N 3Å; K430-M433 VanDerWaalsContact O-N 3.13Å; E431-M433 VanDerWaalsContact C-N 3.34Å; E431-M433 PolarHBondContact O-N 2.97Å; M433-L436 HydrophobicContact SD-CD1 4.13Å; M433-T437 VanDerWaalsContact O-CB 3.28Å; M433-T437 WeakPolarHBondContact O-CB 3.1Å; M433-T437 PolarHBondContact O-N 2.98Å; M433-T437 PolarHBondContact O-OG1 2.94Å; M433-V474 HydrophobicContact CB-CB 4.43Å; M433-V474 HydrophobicContact CB-CG1 3.69Å; M433-V474 HydrophobicContact CB-CG2 3.85Å; M433-V474 HydrophobicContact CG-CG1 3.72Å; M433-F548 HydrophobicContact CE-CB 4.01Å; M433-F548 HydrophobicContact CE-CD1 4.01Å; M433-F548 HydrophobicContact CE-CD2 3.65Å; M433-F548 HydrophobicContact CE-CE1 4.46Å; M433-F548 HydrophobicContact CE-CE2 4.11Å; M433-F548 HydrophobicContact CE-CG 3.59Å; M433-L553 HydrophobicContact CE-CD2 4.2Å; M433-L553 HydrophobicContact CG-CD1 4.37Å; M433-L553 HydrophobicContact CG-CD2 4.05Å; M433-L553 HydrophobicContact SD-CD2 3.75Å; M433-F558 HydrophobicContact CG-CE2 4.08Å; M433-F558 HydrophobicContact SD-CD2 4.12Å; M433-F558 HydrophobicContact SD-CE2 4.08Å; M433-I572 HydrophobicContact CE-CD1 4.18Å; M433-I572 HydrophobicContact CE-CG1 3.9Å; M433-I572 HydrophobicContact SD-CD1 4.23Å; M433-I572 HydrophobicContact SD-CG1 3.47Å; M433-I572 WeakPolarHBondContact SD-CG1 3.07Å; M433-V576 HydrophobicContact CE-CG2 3.51Å |
| 434 | E | 91.9 | Very high | 93.1 | Very high | 125 Ų | 125 | 47.6 Ų | 47.6 | 58% | 0.584 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66 | -45.7 | 173.1 | -72.1 | 173.3 | 178.4 | 0 | 0 | 111.3 | K430 E431 M432 L436 T437 E438 | K430-E434 WeakPolarHBondContact O-CG 3.33Å; K430-E434 PolarHBondContact O-N 3.39Å; E431-E434 PolarHBondContact O-N 2.82Å; M432-E434 VanDerWaalsContact C-N 3.32Å; E434-L436 PolarHBondContact O-N 3.09Å; E434-T437 PolarHBondContact O-N 3.01Å; E434-E438 PolarHBondContact O-N 2.99Å |
| 435 | E | 92.4 | Very high | 93.3 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.4 | -49.6 | 173.9 | -177.8 | -175.7 | 106.4 | 0 | 0 | 111.2 | E431 M432 T437 E438 G439 R565 W658 | E431-E435 PolarHBondContact O-N 2.83Å; M432-E435 PolarHBondContact O-N 2.82Å; E435-T437 PolarHBondContact O-N 2.92Å; E435-E438 PolarHBondContact O-N 2.82Å; E435-G439 PolarHBondContact O-N 3.36Å; E435-R565 IonicContact OE1-CZ 3.71Å; E435-R565 IonicContact OE1-NH2 2.74Å; E435-R565 PolarHBondContact OE1-NH2 3.2Å; E435-R565 IonicContact OE2-NH2 3.67Å; E435-W658 PolarHBondContact OE1-NE1 2.9Å; E435-W658 VanDerWaalsContact OE1-NE1 3.16Å |
| 436 | L | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 178.1 | -74.3 | 171.5 | 0 | 0 | 0 | 111.1 | M432 M433 E434 E438 G439 I440 Y569 I572 | M432-L436 HydrophobicContact CE-CD1 4.18Å; M432-L436 HydrophobicContact CG-CD1 4.22Å; M432-L436 WeakPolarHBondContact O-CB 3.03Å; M432-L436 VanDerWaalsContact O-CG 3.32Å; M432-L436 WeakPolarHBondContact O-CG 3.27Å; M432-L436 PolarHBondContact O-N 3.46Å; M433-L436 HydrophobicContact SD-CD1 4.13Å; E434-L436 PolarHBondContact O-N 3.09Å; L436-E438 VanDerWaalsContact C-N 3.33Å; L436-E438 PolarHBondContact O-N 2.67Å; L436-G439 PolarHBondContact O-N 2.77Å; L436-I440 WeakPolarHBondContact O-CB 3.34Å; L436-I440 VanDerWaalsContact O-CG1 3.25Å; L436-I440 WeakPolarHBondContact O-CG1 3.17Å; L436-I440 PolarHBondContact O-N 3.48Å; L436-Y569 HydrophobicContact CD2-CD1 3.75Å; L436-Y569 HydrophobicContact CD2-CD2 4.11Å; L436-Y569 HydrophobicContact CD2-CE1 3.51Å; L436-Y569 HydrophobicContact CD2-CE2 3.91Å; L436-Y569 HydrophobicContact CD2-CG 4.03Å; L436-I572 HydrophobicContact CD1-CG2 3.67Å |
| 437 | T | 96.4 | Very high | 94 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58 | -45.8 | 179.5 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | M433 E434 E435 I440 R441 A472 I546 | M433-T437 VanDerWaalsContact O-CB 3.28Å; M433-T437 WeakPolarHBondContact O-CB 3.1Å; M433-T437 PolarHBondContact O-N 2.98Å; M433-T437 PolarHBondContact O-OG1 2.94Å; E434-T437 PolarHBondContact O-N 3.01Å; E435-T437 PolarHBondContact O-N 2.92Å; T437-I440 PolarHBondContact O-N 3.25Å; T437-R441 WeakPolarHBondContact O-CB 3.25Å; T437-R441 PolarHBondContact O-N 3.46Å; T437-A472 HydrophobicContact CG2-CB 3.74Å; T437-I546 HydrophobicContact CG2-CD1 4.15Å |
| 438 | E | 97.3 | Very high | 94.6 | Very high | 92 Ų | 92 | 34.7 Ų | 34.7 | 43% | 0.43 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -72.1 | -34.7 | -179.1 | -167.7 | 56.7 | -156.9 | 0 | 0 | 112.1 | E434 E435 L436 R441 W442 | E434-E438 PolarHBondContact O-N 2.99Å; E435-E438 PolarHBondContact O-N 2.82Å; L436-E438 VanDerWaalsContact C-N 3.33Å; L436-E438 PolarHBondContact O-N 2.67Å; E438-R441 PolarHBondContact O-N 3.21Å; E438-R441 WeakPolarHBondContact OE2-CD 3.39Å; E438-R441 IonicContact OE2-CZ 3.94Å; E438-R441 IonicContact OE2-NE 3.27Å; E438-R441 PolarHBondContact OE2-NE 3.47Å; E438-W442 WeakPolarHBondContact O-CB 3.46Å; E438-W442 PolarHBondContact O-N 3.12Å |
| 439 | G | 98 | Very high | 95.2 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 12% | 0.124 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E435 L436 W442 A443 A654 | E435-G439 PolarHBondContact O-N 3.36Å; L436-G439 PolarHBondContact O-N 2.77Å; G439-W442 PolarHBondContact O-N 2.9Å; G439-A443 WeakPolarHBondContact O-CB 3.2Å; G439-A443 PolarHBondContact O-N 2.74Å; G439-A654 WeakPolarHBondContact O-CB 3.46Å |
| 440 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64 | -47.1 | 175.6 | -67.8 | -56 | 0 | 0 | 0 | 111.4 | L436 T437 W442 A443 F444 V576 F580 E650 A651 A654 | L436-I440 WeakPolarHBondContact O-CB 3.34Å; L436-I440 VanDerWaalsContact O-CG1 3.25Å; L436-I440 WeakPolarHBondContact O-CG1 3.17Å; L436-I440 PolarHBondContact O-N 3.48Å; T437-I440 PolarHBondContact O-N 3.25Å; I440-W442 VanDerWaalsContact C-N 3.28Å; I440-W442 PolarHBondContact O-N 3.15Å; I440-A443 WeakPolarHBondContact O-CB 3.17Å; I440-A443 PolarHBondContact O-N 3.43Å; I440-F444 PolarHBondContact O-N 2.88Å; I440-V576 HydrophobicContact CB-CG1 4.06Å; I440-V576 HydrophobicContact CG1-CB 4.16Å; I440-V576 HydrophobicContact CG1-CG1 3.81Å; I440-V576 HydrophobicContact CG2-CG1 4.22Å; I440-F580 HydrophobicContact CG2-CB 4Å; I440-F580 HydrophobicContact CG2-CG 4.18Å; I440-E650 HydrophobicContact CD1-CB 4.16Å; I440-E650 HydrophobicContact CG2-CB 4.26Å; I440-E650 WeakPolarHBondContact CG2-OE2 3.49Å; I440-A651 HydrophobicContact CD1-CB 3.74Å; I440-A654 HydrophobicContact CD1-CB 4.09Å |
| 441 | R | 98.6 | Very high | 96 | Very high | 23 Ų | 23 | 43 Ų | 43 | 9% | 0.087 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.7 | -45.3 | 177.5 | -173.6 | -166.3 | -52.3 | -81.6 | -0.9 | 111.1 | T437 E438 I445 A467 K468 V470 F580 | T437-R441 WeakPolarHBondContact O-CB 3.25Å; T437-R441 PolarHBondContact O-N 3.46Å; E438-R441 PolarHBondContact O-N 3.21Å; E438-R441 WeakPolarHBondContact OE2-CD 3.39Å; E438-R441 IonicContact OE2-CZ 3.94Å; E438-R441 IonicContact OE2-NE 3.27Å; E438-R441 PolarHBondContact OE2-NE 3.47Å; R441-I445 HydrophobicContact CG-CD1 4.11Å; R441-I445 WeakPolarHBondContact O-CG1 3.32Å; R441-I445 PolarHBondContact O-N 3.22Å; R441-I445 VanDerWaalsContact O-N 3.09Å; R441-A467 PolarHBondContact NH1-O 2.88Å; R441-K468 PolarHBondContact NH1-O 2.98Å; R441-V470 VanDerWaalsContact CZ-O 3.32Å; R441-V470 PolarHBondContact NH1-O 3.11Å; R441-V470 PolarHBondContact NH2-O 3.17Å; R441-F580 HydrophobicContact CB-CE2 3.97Å; R441-F580 HydrophobicContact CB-CZ 4.22Å; R441-F580 HydrophobicContact CG-CE2 3.92Å; R441-F580 HydrophobicContact CG-CZ 3.88Å |
| 442 | W | 98.5 | Very high | 96.4 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 25% | 0.25 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 174.2 | 169.4 | 86.2 | 0 | 0 | 0 | 111.5 | E438 G439 I440 F444 I445 D446 R653 R657 | E438-W442 WeakPolarHBondContact O-CB 3.46Å; E438-W442 PolarHBondContact O-N 3.12Å; G439-W442 PolarHBondContact O-N 2.9Å; I440-W442 VanDerWaalsContact C-N 3.28Å; I440-W442 PolarHBondContact O-N 3.15Å; W442-F444 VanDerWaalsContact C-N 3.32Å; W442-F444 PolarHBondContact O-N 3.15Å; W442-I445 PolarHBondContact O-N 3.46Å; W442-D446 HydrophobicContact CD2-CB 4.36Å; W442-D446 HydrophobicContact CH2-CB 4.27Å; W442-D446 HydrophobicContact CZ2-CB 3.9Å; W442-D446 WeakPolarHBondContact O-CB 3.45Å; W442-D446 PolarHBondContact O-N 3.41Å; W442-R653 HydrophobicContact CH2-CG 4.31Å; W442-R653 HydrophobicContact CZ3-CG 3.98Å; W442-R657 VanDerWaalsContact CB-NH1 3.31Å; W442-R657 VanDerWaalsContact CD2-CD 3.45Å; W442-R657 HydrophobicContact CE3-CB 4.35Å; W442-R657 HydrophobicContact CE3-CG 4.45Å; W442-R657 HydrophobicContact CH2-CB 4.03Å; W442-R657 HydrophobicContact CH2-CG 4.24Å; W442-R657 HydrophobicContact CZ3-CB 3.73Å; W442-R657 HydrophobicContact CZ3-CG 4.14Å |
| 443 | A | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G439 I440 D446 M447 E650 R653 A654 | G439-A443 WeakPolarHBondContact O-CB 3.2Å; G439-A443 PolarHBondContact O-N 2.74Å; I440-A443 WeakPolarHBondContact O-CB 3.17Å; I440-A443 PolarHBondContact O-N 3.43Å; A443-D446 PolarHBondContact O-N 3.42Å; A443-M447 VanDerWaalsContact O-CG 3.25Å; A443-M447 WeakPolarHBondContact O-CG 3.41Å; A443-M447 PolarHBondContact O-N 3.11Å; A443-E650 HydrophobicContact CB-CB 4.33Å; A443-E650 VanDerWaalsContact CB-O 3.23Å; A443-E650 WeakPolarHBondContact CB-O 3.45Å; A443-R653 HydrophobicContact CB-CB 4.06Å; A443-R653 HydrophobicContact CB-CG 4.4Å; A443-A654 HydrophobicContact CB-CB 4.19Å |
| 444 | F | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -49.6 | 173.9 | -179.7 | -90.1 | 0 | 0 | 0 | 111.9 | I440 W442 D446 M447 L448 A467 F580 F584 E650 W747 | I440-F444 PolarHBondContact O-N 2.88Å; W442-F444 VanDerWaalsContact C-N 3.32Å; W442-F444 PolarHBondContact O-N 3.15Å; F444-D446 PolarHBondContact O-N 3.03Å; F444-M447 PolarHBondContact O-N 3.15Å; F444-L448 HydrophobicContact CE1-CD2 4.17Å; F444-L448 VanDerWaalsContact O-CB 3.31Å; F444-L448 WeakPolarHBondContact O-CB 3.43Å; F444-L448 PolarHBondContact O-N 3.31Å; F444-A467 HydrophobicContact CD1-CB 3.78Å; F444-A467 HydrophobicContact CE1-CB 3.85Å; F444-F580 HydrophobicContact CB-CD1 4.02Å; F444-F580 HydrophobicContact CB-CE1 3.65Å; F444-F580 AromaticContact CD1-CE1 3.64Å; F444-F580 HydrophobicContact CD1-CE1 3.64Å; F444-F580 HydrophobicContact CD1-CZ 4.48Å; F444-F580 HydrophobicContact CD2-CD1 4.11Å; F444-F580 HydrophobicContact CD2-CE1 4.03Å; F444-F580 HydrophobicContact CE1-CE1 4.3Å; F444-F580 AromaticContact CG-CD1 3.95Å; F444-F580 HydrophobicContact CG-CD1 3.95Å; F444-F580 AromaticContact CG-CE1 3.48Å; F444-F580 HydrophobicContact CG-CE1 3.48Å; F444-F580 VanDerWaalsContact CG-CE1 3.48Å; F444-F584 HydrophobicContact CD1-CE2 4.44Å; F444-F584 HydrophobicContact CE1-CD1 4.43Å; F444-F584 HydrophobicContact CE1-CD2 4.09Å; F444-F584 HydrophobicContact CE1-CE1 4.13Å; F444-F584 AromaticContact CE1-CE2 3.77Å; F444-F584 HydrophobicContact CE1-CE2 3.77Å; F444-F584 HydrophobicContact CE1-CG 4.42Å; F444-F584 AromaticContact CE1-CZ 3.79Å; F444-F584 HydrophobicContact CE1-CZ 3.79Å; F444-F584 HydrophobicContact CE2-CB 4.44Å; F444-F584 AromaticContact CE2-CD2 3.72Å; F444-F584 HydrophobicContact CE2-CD2 3.72Å; F444-F584 HydrophobicContact CE2-CE2 4.16Å; F444-F584 HydrophobicContact CE2-CG 4.07Å; F444-F584 HydrophobicContact CZ-CB 4.25Å; F444-F584 AromaticContact CZ-CD1 3.85Å; F444-F584 HydrophobicContact CZ-CD1 3.85Å; F444-F584 AromaticContact CZ-CD2 3.42Å; F444-F584 HydrophobicContact CZ-CD2 3.42Å; F444-F584 VanDerWaalsContact CZ-CD2 3.42Å; F444-F584 HydrophobicContact CZ-CE1 4Å; F444-F584 AromaticContact CZ-CE2 3.6Å; F444-F584 HydrophobicContact CZ-CE2 3.6Å; F444-F584 AromaticContact CZ-CG 3.56Å; F444-F584 HydrophobicContact CZ-CG 3.56Å; F444-F584 AromaticContact CZ-CZ 3.89Å; F444-F584 HydrophobicContact CZ-CZ 3.89Å; F444-E650 HydrophobicContact CB-CG 4.32Å; F444-E650 WeakPolarHBondContact CD2-OE1 3.43Å; F444-W747 AromaticContact CE2-CD2 3.96Å; F444-W747 HydrophobicContact CE2-CD2 3.96Å; F444-W747 AromaticContact CE2-CE3 3.93Å; F444-W747 HydrophobicContact CE2-CE3 3.93Å; F444-W747 HydrophobicContact CE2-CG 4.3Å; F444-W747 HydrophobicContact CE2-CZ3 4.46Å; F444-W747 HydrophobicContact CZ-CD2 4.45Å; F444-W747 HydrophobicContact CZ-CE3 4.08Å; F444-W747 HydrophobicContact CZ-CZ3 4.16Å |
| 445 | I | 98.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 8% | 0.077 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | 179.7 | -73.4 | 170.5 | 0 | 0 | 0 | 111.1 | R441 W442 M447 L448 E449 Y464 A467 K468 | R441-I445 HydrophobicContact CG-CD1 4.11Å; R441-I445 WeakPolarHBondContact O-CG1 3.32Å; R441-I445 PolarHBondContact O-N 3.22Å; R441-I445 VanDerWaalsContact O-N 3.09Å; W442-I445 PolarHBondContact O-N 3.46Å; I445-M447 PolarHBondContact O-N 3.07Å; I445-L448 WeakPolarHBondContact O-CB 3.47Å; I445-L448 PolarHBondContact O-N 2.89Å; I445-E449 HydrophobicContact CG2-CG 4.46Å; I445-E449 WeakPolarHBondContact O-CG 3.36Å; I445-E449 PolarHBondContact O-N 3.46Å; I445-Y464 HydrophobicContact CD1-CD2 4.2Å; I445-Y464 HydrophobicContact CD1-CE2 4.03Å; I445-Y464 HydrophobicContact CG1-CD2 4.14Å; I445-Y464 HydrophobicContact CG1-CE2 4.38Å; I445-Y464 HydrophobicContact CG2-CD2 3.7Å; I445-Y464 HydrophobicContact CG2-CE2 3.63Å; I445-A467 HydrophobicContact CD1-CB 4.42Å; I445-A467 HydrophobicContact CG1-CB 4.1Å; I445-K468 HydrophobicContact CD1-CD 3.9Å; I445-K468 HydrophobicContact CD1-CG 4.13Å |
| 446 | D | 98.4 | Very high | 97.2 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | -179.5 | -168.2 | 72.8 | 0 | 0 | 0 | 111.4 | W442 A443 F444 K450 R653 | W442-D446 HydrophobicContact CD2-CB 4.36Å; W442-D446 HydrophobicContact CH2-CB 4.27Å; W442-D446 HydrophobicContact CZ2-CB 3.9Å; W442-D446 WeakPolarHBondContact O-CB 3.45Å; W442-D446 PolarHBondContact O-N 3.41Å; A443-D446 PolarHBondContact O-N 3.42Å; F444-D446 PolarHBondContact O-N 3.03Å; D446-K450 VanDerWaalsContact O-CB 3.3Å; D446-K450 WeakPolarHBondContact O-CB 3.05Å; D446-K450 PolarHBondContact O-N 2.79Å; D446-K450 WeakPolarHBondContact OD1-CD 3.48Å; D446-K450 WeakPolarHBondContact OD1-CE 3.5Å; D446-K450 IonicContact OD1-NZ 2.67Å; D446-K450 PolarHBondContact OD1-NZ 3.01Å; D446-K450 IonicContact OD2-NZ 3.58Å; D446-R653 IonicContact OD2-CZ 3.73Å; D446-R653 IonicContact OD2-NE 2.98Å; D446-R653 PolarHBondContact OD2-NE 3.42Å; D446-R653 IonicContact OD2-NH2 3.81Å; D446-R653 PolarHBondContact OD2-NH2 2.88Å |
| 447 | M | 97.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -43.8 | 172.7 | -68.6 | -178.3 | -23.1 | 0 | 0 | 112 | A443 F444 I445 E449 E451 N452 R649 E650 W747 | A443-M447 VanDerWaalsContact O-CG 3.25Å; A443-M447 WeakPolarHBondContact O-CG 3.41Å; A443-M447 PolarHBondContact O-N 3.11Å; F444-M447 PolarHBondContact O-N 3.15Å; I445-M447 PolarHBondContact O-N 3.07Å; M447-E449 VanDerWaalsContact C-N 3.31Å; M447-E449 PolarHBondContact O-N 3.37Å; M447-E451 PolarHBondContact O-N 3.02Å; M447-N452 PolarHBondContact O-N 3.05Å; M447-R649 HydrophobicContact SD-CB 4.12Å; M447-E650 HydrophobicContact CE-CG 3.62Å; M447-W747 HydrophobicContact CE-CB 4.25Å; M447-W747 WeakPolarHBondContact CE-OXT 3.44Å |
| 448 | L | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 178.3 | 178.7 | 67.7 | 0 | 0 | 0 | 112.2 | F444 I445 N452 M455 K460 A463 W747 | F444-L448 HydrophobicContact CE1-CD2 4.17Å; F444-L448 VanDerWaalsContact O-CB 3.31Å; F444-L448 WeakPolarHBondContact O-CB 3.43Å; F444-L448 PolarHBondContact O-N 3.31Å; I445-L448 WeakPolarHBondContact O-CB 3.47Å; I445-L448 PolarHBondContact O-N 2.89Å; L448-N452 HydrophobicContact CD1-CB 4.48Å; L448-N452 WeakPolarHBondContact O-CB 3.02Å; L448-M455 HydrophobicContact CD1-CE 4.29Å; L448-M455 HydrophobicContact CD1-SD 3.68Å; L448-K460 HydrophobicContact CD1-CG 4.12Å; L448-A463 HydrophobicContact CD1-CB 4.27Å; L448-A463 HydrophobicContact CD2-CB 3.8Å; L448-W747 HydrophobicContact CD1-CZ3 4.17Å |
| 449 | E | 96.6 | Very high | 97.3 | Very high | 112 Ų | 112 | 40.9 Ų | 40.9 | 52% | 0.523 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -81.4 | -43.6 | -177.4 | -70.9 | -179.6 | 164.7 | 0 | 0 | 112.4 | I445 M447 Y464 | I445-E449 HydrophobicContact CG2-CG 4.46Å; I445-E449 WeakPolarHBondContact O-CG 3.36Å; I445-E449 PolarHBondContact O-N 3.46Å; M447-E449 VanDerWaalsContact C-N 3.31Å; M447-E449 PolarHBondContact O-N 3.37Å; E449-Y464 WeakPolarHBondContact OE1-CD2 3.21Å |
| 450 | K | 95.9 | Very high | 97.3 | Very high | 148 Ų | 148 | 42.7 Ų | 42.7 | 64% | 0.643 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -97.7 | -26.9 | -168.3 | -63.3 | 179.7 | 179.1 | 163.2 | 0 | 115.1 | D446 | D446-K450 VanDerWaalsContact O-CB 3.3Å; D446-K450 WeakPolarHBondContact O-CB 3.05Å; D446-K450 PolarHBondContact O-N 2.79Å; D446-K450 WeakPolarHBondContact OD1-CD 3.48Å; D446-K450 WeakPolarHBondContact OD1-CE 3.5Å; D446-K450 IonicContact OD1-NZ 2.67Å; D446-K450 PolarHBondContact OD1-NZ 3.01Å; D446-K450 IonicContact OD2-NZ 3.58Å |
| 451 | E | 95.1 | Very high | 97.3 | Very high | 71 Ų | 71 | 48.8 Ų | 48.8 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -28.3 | -168.9 | -65.2 | -179 | -157.7 | 0 | 0 | 113.5 | M447 D453 R653 R745 | M447-E451 PolarHBondContact O-N 3.02Å; E451-D453 PolarHBondContact O-N 3.24Å; E451-D453 VanDerWaalsContact O-N 3.16Å; E451-R653 VanDerWaalsContact CD-NH1 3.34Å; E451-R653 IonicContact OE1-CZ 3.55Å; E451-R653 IonicContact OE1-NH1 3.16Å; E451-R653 PolarHBondContact OE1-NH1 2.93Å; E451-R653 IonicContact OE1-NH2 3.31Å; E451-R653 PolarHBondContact OE1-NH2 2.9Å; E451-R653 IonicContact OE2-NH1 2.71Å; E451-R745 IonicContact OE2-CZ 3.49Å; E451-R745 IonicContact OE2-NH1 2.74Å; E451-R745 PolarHBondContact OE2-NH1 2.82Å; E451-R745 IonicContact OE2-NH2 3.4Å; E451-R745 PolarHBondContact OE2-NH2 3.03Å |
| 452 | N | 96.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | trans | -65.8 | 115.2 | 175.1 | -174.1 | -69.2 | 0 | 0 | 0 | 109.7 | M447 L448 W454 M455 K460 | M447-N452 PolarHBondContact O-N 3.05Å; L448-N452 HydrophobicContact CD1-CB 4.48Å; L448-N452 WeakPolarHBondContact O-CB 3.02Å; N452-W454 WeakPolarHBondContact ND2-CZ2 3.27Å; N452-W454 PolarHBondContact ND2-NE1 3.33Å; N452-W454 PolarHBondContact OD1-N 2.83Å; N452-M455 PolarHBondContact ND2-SD 2.82Å; N452-M455 VanDerWaalsContact OD1-CB 3.26Å; N452-M455 WeakPolarHBondContact OD1-CB 3.32Å; N452-M455 VanDerWaalsContact OD1-CG 3.31Å; N452-M455 WeakPolarHBondContact OD1-CG 2.98Å; N452-M455 PolarHBondContact OD1-N 2.05Å; N452-K460 WeakPolarHBondContact O-CE 3.45Å; N452-K460 PolarHBondContact O-NZ 3.37Å; N452-K460 WeakPolarHBondContact OD1-CE 3.47Å | ||
| 453 | D | 94.9 | Very high | 97.3 | Very high | 129 Ų | 129 | 47.2 Ų | 47.2 | 69% | 0.69 | 23% | 0.229 | S | C | * | . | trans | -107.4 | -7 | -177.2 | 61 | -6.3 | 0 | 0 | 0 | 113.2 | E451 | E451-D453 PolarHBondContact O-N 3.24Å; E451-D453 VanDerWaalsContact O-N 3.16Å | ||
| 454 | W | 96.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -103.1 | -20.7 | -168.5 | 61.7 | -91.6 | 0 | 0 | 0 | 113.4 | N452 W601 K608 F609 K612 L746 W747 | N452-W454 WeakPolarHBondContact ND2-CZ2 3.27Å; N452-W454 PolarHBondContact ND2-NE1 3.33Å; N452-W454 PolarHBondContact OD1-N 2.83Å; W454-W601 AromaticContact CH2-CH2 3.65Å; W454-W601 HydrophobicContact CH2-CH2 3.65Å; W454-W601 AromaticContact CH2-CZ3 3.57Å; W454-W601 HydrophobicContact CH2-CZ3 3.57Å; W454-W601 HydrophobicContact CZ3-CE3 4.49Å; W454-W601 HydrophobicContact CZ3-CH2 4.16Å; W454-W601 AromaticContact CZ3-CZ3 3.58Å; W454-W601 HydrophobicContact CZ3-CZ3 3.58Å; W454-K608 HydrophobicContact CB-CB 4.4Å; W454-K608 HydrophobicContact CB-CD 4.26Å; W454-K608 HydrophobicContact CE3-CB 4.07Å; W454-K608 WeakPolarHBondContact O-CD 3.47Å; W454-K608 PolarHBondContact O-NZ 3.06Å; W454-F609 HydrophobicContact CH2-CB 4.34Å; W454-F609 AromaticContact CH2-CD2 3.85Å; W454-F609 HydrophobicContact CH2-CD2 3.85Å; W454-F609 HydrophobicContact CZ3-CB 3.97Å; W454-F609 HydrophobicContact CZ3-CD2 4.34Å; W454-K612 HydrophobicContact CB-CD 4.1Å; W454-K612 HydrophobicContact CD2-CD 3.97Å; W454-K612 HydrophobicContact CG-CD 3.6Å; W454-L746 HydrophobicContact CH2-CD1 4.19Å; W454-L746 HydrophobicContact CZ2-CD1 3.68Å; W454-L746 HydrophobicContact CZ2-CG 4.27Å; W454-L746 PolarHBondContact NE1-O 3.49Å; W454-W747 AromaticContact CH2-CH2 3.92Å; W454-W747 HydrophobicContact CH2-CH2 3.92Å; W454-W747 HydrophobicContact CH2-CZ2 4.45Å; W454-W747 HydrophobicContact CH2-CZ3 4.3Å; W454-W747 HydrophobicContact CZ2-CE3 4.35Å; W454-W747 AromaticContact CZ2-CH2 3.89Å; W454-W747 HydrophobicContact CZ2-CH2 3.89Å; W454-W747 HydrophobicContact CZ2-CZ2 4.37Å; W454-W747 AromaticContact CZ2-CZ3 3.88Å; W454-W747 HydrophobicContact CZ2-CZ3 3.88Å |
| 455 | M | 96.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -87 | 139.7 | 174.2 | -63 | 173 | 74.4 | 0 | 0 | 111.7 | L448 N452 T459 K460 A463 W601 S605 W747 | L448-M455 HydrophobicContact CD1-CE 4.29Å; L448-M455 HydrophobicContact CD1-SD 3.68Å; N452-M455 PolarHBondContact ND2-SD 2.82Å; N452-M455 VanDerWaalsContact OD1-CB 3.26Å; N452-M455 WeakPolarHBondContact OD1-CB 3.32Å; N452-M455 VanDerWaalsContact OD1-CG 3.31Å; N452-M455 WeakPolarHBondContact OD1-CG 2.98Å; N452-M455 PolarHBondContact OD1-N 2.05Å; M455-T459 HydrophobicContact CE-CG2 3.37Å; M455-K460 HydrophobicContact CB-CD 4.44Å; M455-K460 HydrophobicContact CB-CG 3.64Å; M455-K460 WeakPolarHBondContact O-CE 3.48Å; M455-A463 HydrophobicContact CE-CB 3.94Å; M455-W601 HydrophobicContact CE-CH2 4.15Å; M455-W601 HydrophobicContact CE-CZ2 4.12Å; M455-W601 HydrophobicContact CE-CZ3 4.48Å; M455-S605 WeakPolarHBondContact CA-OG 3.19Å; M455-W747 HydrophobicContact CE-CH2 4.45Å; M455-W747 HydrophobicContact SD-CH2 3.87Å; M455-W747 HydrophobicContact SD-CZ3 3.62Å |
| 456 | D | 97.2 | Very high | 97.2 | Very high | 43 Ų | 43 | 53.3 Ų | 53.3 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | trans | -68.1 | 165.1 | 167.6 | 65.8 | 72.2 | 0 | 0 | 0 | 112.1 | E458 T459 K460 T602 S605 | D456-E458 VanDerWaalsContact C-N 3.33Å; D456-E458 PolarHBondContact O-N 3.49Å; D456-E458 WeakPolarHBondContact OD1-CA 3.1Å; D456-E458 WeakPolarHBondContact OD1-CB 3.23Å; D456-E458 PolarHBondContact OD1-N 2.04Å; D456-T459 PolarHBondContact O-N 3.33Å; D456-T459 PolarHBondContact OD1-N 2.92Å; D456-T459 PolarHBondContact OD1-OG1 3.15Å; D456-T459 VanDerWaalsContact OD1-OG1 3.04Å; D456-T459 PolarHBondContact OD2-OG1 3.34Å; D456-K460 WeakPolarHBondContact O-CB 3.1Å; D456-K460 WeakPolarHBondContact O-CG 3.4Å; D456-K460 PolarHBondContact O-N 3.28Å; D456-T602 WeakPolarHBondContact OD2-CB 3.36Å; D456-T602 VanDerWaalsContact OD2-CG2 3.29Å; D456-T602 WeakPolarHBondContact OD2-CG2 3.44Å; D456-T602 PolarHBondContact OD2-OG1 3.3Å; D456-S605 PolarHBondContact N-OG 3.1Å; D456-S605 VanDerWaalsContact N-OG 3.14Å; D456-S605 PolarHBondContact OD2-OG 3.02Å | ||
| 457 | S | 96.6 | Very high | 97.2 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 73% | 0.734 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.4 | -33.2 | -175.9 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | R461 | S457-R461 WeakPolarHBondContact O-CB 3.43Å; S457-R461 PolarHBondContact O-N 2.86Å |
| 458 | E | 96.9 | Very high | 97.2 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 41% | 0.407 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.5 | -48.7 | 178.7 | -173.6 | -171.4 | 155.6 | 0 | 0 | 110.7 | D456 R461 K462 | D456-E458 VanDerWaalsContact C-N 3.33Å; D456-E458 PolarHBondContact O-N 3.49Å; D456-E458 WeakPolarHBondContact OD1-CA 3.1Å; D456-E458 WeakPolarHBondContact OD1-CB 3.23Å; D456-E458 PolarHBondContact OD1-N 2.04Å; E458-R461 PolarHBondContact O-N 3.28Å; E458-K462 PolarHBondContact O-N 2.88Å; E458-K462 VanDerWaalsContact O-N 3.09Å; E458-K462 VanDerWaalsContact OE1-CE 3.27Å; E458-K462 WeakPolarHBondContact OE1-CE 3.02Å; E458-K462 IonicContact OE1-NZ 3.41Å; E458-K462 PolarHBondContact OE1-NZ 2.03Å |
| 459 | T | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 179.6 | -51.7 | 0 | 0 | 0 | 0 | 110.4 | M455 D456 R461 K462 A463 W600 W601 T602 S605 | M455-T459 HydrophobicContact CE-CG2 3.37Å; D456-T459 PolarHBondContact O-N 3.33Å; D456-T459 PolarHBondContact OD1-N 2.92Å; D456-T459 PolarHBondContact OD1-OG1 3.15Å; D456-T459 VanDerWaalsContact OD1-OG1 3.04Å; D456-T459 PolarHBondContact OD2-OG1 3.34Å; T459-R461 PolarHBondContact O-N 3.42Å; T459-K462 PolarHBondContact O-N 3.19Å; T459-A463 WeakPolarHBondContact O-CB 3.48Å; T459-A463 PolarHBondContact O-N 2.94Å; T459-W600 HydrophobicContact CG2-CZ3 4.22Å; T459-W601 HydrophobicContact CG2-CB 3.93Å; T459-W601 HydrophobicContact CG2-CD2 3.53Å; T459-W601 HydrophobicContact CG2-CE3 4.01Å; T459-W601 HydrophobicContact CG2-CG 3.51Å; T459-T602 PolarHBondContact OG1-N 3.43Å; T459-S605 PolarHBondContact OG1-OG 2.93Å |
| 460 | K | 97.8 | Very high | 97.2 | Very high | 50 Ų | 50 | 54 Ų | 54 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 172.7 | -77.5 | -176.1 | 178.9 | -177.4 | 0 | 112.5 | L448 N452 M455 D456 K462 A463 Y464 | L448-K460 HydrophobicContact CD1-CG 4.12Å; N452-K460 WeakPolarHBondContact O-CE 3.45Å; N452-K460 PolarHBondContact O-NZ 3.37Å; N452-K460 WeakPolarHBondContact OD1-CE 3.47Å; M455-K460 HydrophobicContact CB-CD 4.44Å; M455-K460 HydrophobicContact CB-CG 3.64Å; M455-K460 WeakPolarHBondContact O-CE 3.48Å; D456-K460 WeakPolarHBondContact O-CB 3.1Å; D456-K460 WeakPolarHBondContact O-CG 3.4Å; D456-K460 PolarHBondContact O-N 3.28Å; K460-K462 PolarHBondContact O-N 3.01Å; K460-A463 PolarHBondContact O-N 3.35Å; K460-Y464 WeakPolarHBondContact O-CB 3.49Å; K460-Y464 PolarHBondContact O-N 2.99Å |
| 461 | R | 97.9 | Very high | 97.1 | Very high | 129 Ų | 129 | 50.3 Ų | 50.3 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 177.5 | -177.6 | -175.7 | 59.6 | 80.1 | -2.1 | 111.6 | S457 E458 T459 Y464 E465 | S457-R461 WeakPolarHBondContact O-CB 3.43Å; S457-R461 PolarHBondContact O-N 2.86Å; E458-R461 PolarHBondContact O-N 3.28Å; T459-R461 PolarHBondContact O-N 3.42Å; R461-Y464 WeakPolarHBondContact O-CB 2.96Å; R461-Y464 PolarHBondContact O-N 2.93Å; R461-E465 IonicContact CZ-OE1 3.64Å; R461-E465 IonicContact NH1-OE1 3.64Å; R461-E465 PolarHBondContact NH1-OE1 3.28Å; R461-E465 WeakPolarHBondContact O-CG 3.44Å; R461-E465 PolarHBondContact O-N 2.93Å |
| 462 | K | 98 | Very high | 97.1 | Very high | 55 Ų | 55 | 48.6 Ų | 48.6 | 24% | 0.239 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -38.6 | 177.5 | -68.9 | 175 | -178.7 | 169.6 | 0 | 112.2 | E458 T459 K460 E465 K466 W600 | E458-K462 PolarHBondContact O-N 2.88Å; E458-K462 VanDerWaalsContact O-N 3.09Å; E458-K462 VanDerWaalsContact OE1-CE 3.27Å; E458-K462 WeakPolarHBondContact OE1-CE 3.02Å; E458-K462 IonicContact OE1-NZ 3.41Å; E458-K462 PolarHBondContact OE1-NZ 2.03Å; T459-K462 PolarHBondContact O-N 3.19Å; K460-K462 PolarHBondContact O-N 3.01Å; K462-E465 PolarHBondContact O-N 3.05Å; K462-K466 PolarHBondContact O-N 2.96Å; K462-W600 HydrophobicContact CB-CD2 4.46Å; K462-W600 HydrophobicContact CB-CE3 3.44Å; K462-W600 VanDerWaalsContact CB-CE3 3.44Å; K462-W600 HydrophobicContact CB-CZ3 3.65Å; K462-W600 HydrophobicContact CD-CB 4.2Å; K462-W600 HydrophobicContact CD-CE3 4.01Å; K462-W600 WeakPolarHBondContact CD-O 3.32Å; K462-W600 HydrophobicContact CG-CE3 4.39Å; K462-W600 PolarHBondContact NZ-O 2.88Å |
| 463 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L448 M455 T459 K460 K466 A467 F584 W600 | L448-A463 HydrophobicContact CD1-CB 4.27Å; L448-A463 HydrophobicContact CD2-CB 3.8Å; M455-A463 HydrophobicContact CE-CB 3.94Å; T459-A463 WeakPolarHBondContact O-CB 3.48Å; T459-A463 PolarHBondContact O-N 2.94Å; K460-A463 PolarHBondContact O-N 3.35Å; A463-K466 PolarHBondContact O-N 3.37Å; A463-A467 VanDerWaalsContact O-CB 3.24Å; A463-A467 WeakPolarHBondContact O-CB 3.46Å; A463-A467 PolarHBondContact O-N 3.43Å; A463-F584 HydrophobicContact CB-CD1 4.47Å; A463-F584 HydrophobicContact CB-CE1 4.1Å; A463-W600 HydrophobicContact CB-CH2 3.99Å; A463-W600 HydrophobicContact CB-CZ3 4.08Å |
| 464 | Y | 98.5 | Very high | 97.1 | Very high | 83 Ų | 83 | 44.7 Ų | 44.7 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 171.7 | 174 | -84.7 | 0 | 0 | 0 | 111.7 | I445 E449 K460 R461 K466 A467 K468 | I445-Y464 HydrophobicContact CD1-CD2 4.2Å; I445-Y464 HydrophobicContact CD1-CE2 4.03Å; I445-Y464 HydrophobicContact CG1-CD2 4.14Å; I445-Y464 HydrophobicContact CG1-CE2 4.38Å; I445-Y464 HydrophobicContact CG2-CD2 3.7Å; I445-Y464 HydrophobicContact CG2-CE2 3.63Å; E449-Y464 WeakPolarHBondContact OE1-CD2 3.21Å; K460-Y464 WeakPolarHBondContact O-CB 3.49Å; K460-Y464 PolarHBondContact O-N 2.99Å; R461-Y464 WeakPolarHBondContact O-CB 2.96Å; R461-Y464 PolarHBondContact O-N 2.93Å; Y464-K466 VanDerWaalsContact C-N 3.33Å; Y464-K466 PolarHBondContact O-N 3.06Å; Y464-A467 PolarHBondContact O-N 3.11Å; Y464-K468 HydrophobicContact CD1-CG 4.38Å; Y464-K468 HydrophobicContact CE1-CG 3.9Å; Y464-K468 PolarHBondContact O-N 3.12Å; Y464-K468 WeakPolarHBondContact OH-CE 3.26Å |
| 465 | E | 98.4 | Very high | 97 | Very high | 61 Ų | 61 | 44.2 Ų | 44.2 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.2 | -42.8 | 178.1 | -73 | 179.8 | -151.2 | 0 | 0 | 112.1 | R461 K462 K468 A469 K593 | R461-E465 IonicContact CZ-OE1 3.64Å; R461-E465 IonicContact NH1-OE1 3.64Å; R461-E465 PolarHBondContact NH1-OE1 3.28Å; R461-E465 WeakPolarHBondContact O-CG 3.44Å; R461-E465 PolarHBondContact O-N 2.93Å; K462-E465 PolarHBondContact O-N 3.05Å; E465-K468 PolarHBondContact O-N 3.49Å; E465-A469 WeakPolarHBondContact O-CB 3.48Å; E465-A469 PolarHBondContact O-N 3.44Å; E465-A469 VanDerWaalsContact O-N 3.1Å; E465-K593 HydrophobicContact CB-CD 4.28Å; E465-K593 IonicContact OE2-NZ 2.66Å; E465-K593 PolarHBondContact OE2-NZ 3.33Å |
| 466 | K | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | 175.5 | 179.9 | 172.9 | -174.6 | -177 | 0 | 111.6 | K462 A463 Y464 K468 A469 V470 Y539 N544 G583 F584 G588 Y591 K593 W600 | K462-K466 PolarHBondContact O-N 2.96Å; A463-K466 PolarHBondContact O-N 3.37Å; Y464-K466 VanDerWaalsContact C-N 3.33Å; Y464-K466 PolarHBondContact O-N 3.06Å; K466-K468 VanDerWaalsContact C-N 3.28Å; K466-K468 PolarHBondContact O-N 3.08Å; K466-A469 PolarHBondContact O-N 2.94Å; K466-V470 PolarHBondContact O-N 3.19Å; K466-Y539 WeakPolarHBondContact CE-OH 3.44Å; K466-Y539 PolarHBondContact NZ-OH 2.87Å; K466-N544 WeakPolarHBondContact CE-OD1 3.28Å; K466-N544 PolarHBondContact O-ND2 3.26Å; K466-G583 WeakPolarHBondContact CE-O 3.47Å; K466-G583 PolarHBondContact NZ-O 2.98Å; K466-F584 HydrophobicContact CB-CE1 4.07Å; K466-F584 HydrophobicContact CB-CZ 4.16Å; K466-F584 HydrophobicContact CD-CE1 3.88Å; K466-F584 HydrophobicContact CD-CZ 4.18Å; K466-F584 HydrophobicContact CG-CE1 4.01Å; K466-F584 HydrophobicContact CG-CZ 3.92Å; K466-G588 PolarHBondContact NZ-O 3Å; K466-Y591 WeakPolarHBondContact CE-O 3.31Å; K466-Y591 PolarHBondContact NZ-O 3.37Å; K466-K593 HydrophobicContact CB-CB 4.12Å; K466-K593 HydrophobicContact CG-CB 4.41Å; K466-W600 HydrophobicContact CD-CZ2 3.88Å |
| 467 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -39.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | R441 F444 I445 A463 Y464 A469 F580 F584 | R441-A467 PolarHBondContact NH1-O 2.88Å; F444-A467 HydrophobicContact CD1-CB 3.78Å; F444-A467 HydrophobicContact CE1-CB 3.85Å; I445-A467 HydrophobicContact CD1-CB 4.42Å; I445-A467 HydrophobicContact CG1-CB 4.1Å; A463-A467 VanDerWaalsContact O-CB 3.24Å; A463-A467 WeakPolarHBondContact O-CB 3.46Å; A463-A467 PolarHBondContact O-N 3.43Å; Y464-A467 PolarHBondContact O-N 3.11Å; A467-A469 VanDerWaalsContact C-N 3.34Å; A467-F580 HydrophobicContact CB-CE1 4.14Å; A467-F580 HydrophobicContact CB-CZ 3.86Å; A467-F580 WeakPolarHBondContact O-CZ 3.47Å; A467-F584 HydrophobicContact CB-CE2 4.37Å; A467-F584 HydrophobicContact CB-CZ 3.81Å |
| 468 | K | 98.1 | Very high | 96.7 | Very high | 104 Ų | 104 | 42.7 Ų | 42.7 | 45% | 0.452 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67 | -31.6 | 172.8 | -77.1 | -62.8 | -133.8 | -177.2 | 0 | 113.5 | R441 I445 Y464 E465 K466 | R441-K468 PolarHBondContact NH1-O 2.98Å; I445-K468 HydrophobicContact CD1-CD 3.9Å; I445-K468 HydrophobicContact CD1-CG 4.13Å; Y464-K468 HydrophobicContact CD1-CG 4.38Å; Y464-K468 HydrophobicContact CE1-CG 3.9Å; Y464-K468 PolarHBondContact O-N 3.12Å; Y464-K468 WeakPolarHBondContact OH-CE 3.26Å; E465-K468 PolarHBondContact O-N 3.49Å; K466-K468 VanDerWaalsContact C-N 3.28Å; K466-K468 PolarHBondContact O-N 3.08Å |
| 469 | A | 97.3 | Very high | 96.5 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 33% | 0.331 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -81.5 | -12.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E465 K466 A467 M471 K593 | E465-A469 WeakPolarHBondContact O-CB 3.48Å; E465-A469 PolarHBondContact O-N 3.44Å; E465-A469 VanDerWaalsContact O-N 3.1Å; K466-A469 PolarHBondContact O-N 2.94Å; A467-A469 VanDerWaalsContact C-N 3.34Å; A469-M471 PolarHBondContact O-N 3.16Å; A469-K593 HydrophobicContact CB-CB 3.91Å |
| 470 | V | 96.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -60 | 123.9 | 178.6 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | R441 K466 N544 I546 F580 | R441-V470 VanDerWaalsContact CZ-O 3.32Å; R441-V470 PolarHBondContact NH1-O 3.11Å; R441-V470 PolarHBondContact NH2-O 3.17Å; K466-V470 PolarHBondContact O-N 3.19Å; V470-N544 WeakPolarHBondContact CA-O 3.48Å; V470-N544 PolarHBondContact N-ND2 2.98Å; V470-I546 HydrophobicContact CG1-CD1 4.22Å; V470-I546 HydrophobicContact CG1-CG1 4.16Å; V470-I546 HydrophobicContact CG1-CG2 3.97Å; V470-F580 HydrophobicContact CB-CD2 4.33Å; V470-F580 HydrophobicContact CB-CE2 3.83Å; V470-F580 HydrophobicContact CB-CZ 4.47Å; V470-F580 HydrophobicContact CG1-CD2 4.02Å; V470-F580 HydrophobicContact CG1-CE2 4.03Å; V470-F580 HydrophobicContact CG2-CD2 4.49Å; V470-F580 HydrophobicContact CG2-CE2 4.01Å; V470-F580 HydrophobicContact CG2-CZ 4.23Å |
| 471 | M | 94.7 | Very high | 96.3 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 35% | 0.345 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129.4 | 178.9 | -66.7 | -176.3 | 74.4 | 0 | 0 | 111.5 | A469 T526 N544 Q545 I546 | A469-M471 PolarHBondContact O-N 3.16Å; M471-T526 HydrophobicContact CE-CG2 4.34Å; M471-N544 PolarHBondContact N-O 3.07Å; M471-Q545 HydrophobicContact CB-CG 4.11Å; M471-Q545 CarbonylContact O-C 3.57Å; M471-Q545 VanDerWaalsContact O-CA 3.25Å; M471-Q545 WeakPolarHBondContact O-CA 3.33Å; M471-I546 PolarHBondContact O-N 3.26Å |
| 472 | A | 94.9 | Very high | 96.1 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 28% | 0.281 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 142.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T437 I546 | T437-A472 HydrophobicContact CG2-CB 3.74Å; A472-I546 CarbonylContact C-O 3.47Å; A472-I546 WeakPolarHBondContact CA-O 3.11Å; A472-I546 HydrophobicContact CB-CD1 4.09Å; A472-I546 HydrophobicContact CB-CG1 3.84Å |
| 473 | K | 95.3 | Very high | 95.9 | Very high | 36 Ų | 36 | 38.4 Ų | 38.4 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124 | 175.4 | -60 | -64.4 | 177.6 | -170.7 | 0 | 109.1 | T526 W528 I546 R547 F548 | K473-T526 WeakPolarHBondContact CE-O 3.26Å; K473-T526 PolarHBondContact NZ-O 3Å; K473-W528 HydrophobicContact CB-CB 4.38Å; K473-W528 HydrophobicContact CB-CD2 3.49Å; K473-W528 VanDerWaalsContact CB-CD2 3.49Å; K473-W528 HydrophobicContact CB-CE3 3.76Å; K473-W528 HydrophobicContact CB-CG 3.8Å; K473-W528 HydrophobicContact CB-CH2 4.26Å; K473-W528 HydrophobicContact CB-CZ2 4.02Å; K473-W528 HydrophobicContact CB-CZ3 4.15Å; K473-W528 HydrophobicContact CD-CB 4.42Å; K473-W528 HydrophobicContact CD-CG 4.04Å; K473-W528 HydrophobicContact CG-CB 3.98Å; K473-W528 HydrophobicContact CG-CD2 4.06Å; K473-W528 HydrophobicContact CG-CG 3.8Å; K473-I546 PolarHBondContact N-O 3.19Å; K473-R547 HydrophobicContact CB-CG 4.09Å; K473-R547 HydrophobicContact CG-CG 4.38Å; K473-R547 CarbonylContact O-C 3.55Å; K473-R547 WeakPolarHBondContact O-CA 3.49Å; K473-F548 PolarHBondContact O-N 3.15Å |
| 474 | V | 95.1 | Very high | 95.7 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.4 | -167 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | K430 M433 Y476 F548 L553 | K430-V474 HydrophobicContact CG-CB 4.4Å; K430-V474 HydrophobicContact CG-CG1 4.09Å; M433-V474 HydrophobicContact CB-CB 4.43Å; M433-V474 HydrophobicContact CB-CG1 3.69Å; M433-V474 HydrophobicContact CB-CG2 3.85Å; M433-V474 HydrophobicContact CG-CG1 3.72Å; V474-Y476 PolarHBondContact O-N 3.16Å; V474-F548 CarbonylContact C-O 3.49Å; V474-F548 HydrophobicContact CG2-CD2 4.42Å; V474-L553 HydrophobicContact CG1-CD1 3.64Å |
| 475 | G | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79 | -79.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F548 P549 A550 | G475-F548 PolarHBondContact N-O 3.5Å; G475-P549 CarbonylContact O-C 3.56Å; G475-P549 WeakPolarHBondContact O-CA 3.41Å; G475-A550 WeakPolarHBondContact O-CB 3.38Å; G475-A550 PolarHBondContact O-N 2.91Å |
| 476 | Y | 95.6 | Very high | 95.2 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 14% | 0.137 | 22% | 0.221 | C | C | . | . | trans | -156 | 155.1 | -173 | 63.5 | -86.3 | 0 | 0 | 0 | 113.7 | V421 F425 E427 K430 V474 I480 M481 W528 | V421-Y476 HydrophobicContact CB-CD1 4.3Å; V421-Y476 HydrophobicContact CG1-CD1 3.44Å; V421-Y476 VanDerWaalsContact CG1-CD1 3.44Å; V421-Y476 HydrophobicContact CG1-CE1 3.41Å; V421-Y476 VanDerWaalsContact CG1-CE1 3.41Å; V421-Y476 HydrophobicContact CG1-CG 4.04Å; V421-Y476 HydrophobicContact CG2-CD1 3.84Å; V421-Y476 HydrophobicContact CG2-CG 3.99Å; F425-Y476 HydrophobicContact CD1-CD1 4.18Å; F425-Y476 HydrophobicContact CD1-CE1 4Å; F425-Y476 HydrophobicContact CE1-CD1 4.28Å; F425-Y476 HydrophobicContact CE1-CE1 4.11Å; E427-Y476 VanDerWaalsContact OE1-CE1 3.24Å; E427-Y476 WeakPolarHBondContact OE1-CE1 3.47Å; E427-Y476 PolarHBondContact OE1-OH 3.35Å; K430-Y476 VanDerWaalsContact NZ-CE1 3.32Å; K430-Y476 PolarHBondContact NZ-OH 2.77Å; V474-Y476 PolarHBondContact O-N 3.16Å; Y476-I480 HydrophobicContact CD2-CD1 3.81Å; Y476-I480 HydrophobicContact CD2-CG1 3.9Å; Y476-I480 HydrophobicContact CG-CD1 4.03Å; Y476-M481 HydrophobicContact CD2-CE 3.94Å; Y476-M481 HydrophobicContact CD2-CG 4.42Å; Y476-M481 HydrophobicContact CE1-CE 4.29Å; Y476-M481 HydrophobicContact CE2-CE 3.52Å; Y476-M481 HydrophobicContact CE2-CG 3.72Å; Y476-M481 HydrophobicContact CE2-SD 4.5Å; Y476-M481 HydrophobicContact CG-CE 4.49Å; Y476-W528 VanDerWaalsContact CA-CZ2 3.44Å; Y476-W528 VanDerWaalsContact N-CZ2 3.31Å; Y476-W528 WeakPolarHBondContact O-CZ2 3.36Å | ||
| 477 | P | 94.5 | Very high | 95 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -72.8 | 132.5 | 173 | 16.7 | -14.7 | 0 | 0 | 0 | 112 | Y414 F479 I480 W528 | Y414-P477 HydrophobicContact CE1-CG 4.34Å; P477-F479 HydrophobicContact CB-CD1 3.63Å; P477-F479 HydrophobicContact CB-CE1 3.32Å; P477-F479 HydrophobicContact CB-CG 4.46Å; P477-F479 HydrophobicContact CB-CZ 3.92Å; P477-F479 HydrophobicContact CG-CD1 4.39Å; P477-F479 HydrophobicContact CG-CE1 3.71Å; P477-F479 HydrophobicContact CG-CZ 3.77Å; P477-F479 PolarHBondContact O-N 3.4Å; P477-F479 VanDerWaalsContact O-N 3.09Å; P477-I480 HydrophobicContact CG-CG2 3.83Å; P477-I480 WeakPolarHBondContact O-CG1 3.35Å; P477-I480 PolarHBondContact O-N 3Å; P477-I480 VanDerWaalsContact O-N 3.16Å; P477-W528 VanDerWaalsContact CA-NE1 3.29Å; P477-W528 HydrophobicContact CB-CG 4.46Å; P477-W528 WeakPolarHBondContact CB-O 3.49Å | ||
| 478 | P | 93.3 | Very high | 94.7 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 59% | 0.591 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -55.9 | -32.3 | -174.9 | -28.2 | 35.4 | 0 | 0 | 0 | 114.7 | I480 M481 | P478-I480 PolarHBondContact O-N 3.35Å; P478-I480 VanDerWaalsContact O-N 3.1Å; P478-M481 PolarHBondContact O-N 2.97Å; P478-M481 VanDerWaalsContact O-N 3.09Å |
| 479 | F | 93.3 | Very high | 94.3 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -60.1 | -23.7 | -177.7 | 69.5 | -106.6 | 0 | 0 | 0 | 113.6 | Y414 P477 M481 N482 Y485 F529 | Y414-F479 HydrophobicContact CD1-CE2 4.03Å; Y414-F479 HydrophobicContact CD1-CZ 4.05Å; Y414-F479 HydrophobicContact CD2-CE2 4.13Å; Y414-F479 HydrophobicContact CD2-CZ 4.47Å; Y414-F479 HydrophobicContact CE1-CE2 4.25Å; Y414-F479 AromaticContact CE1-CZ 3.83Å; Y414-F479 HydrophobicContact CE1-CZ 3.83Å; Y414-F479 HydrophobicContact CE2-CE2 4.35Å; Y414-F479 HydrophobicContact CE2-CZ 4.27Å; Y414-F479 AromaticContact CG-CE2 3.97Å; Y414-F479 HydrophobicContact CG-CE2 3.97Å; Y414-F479 HydrophobicContact CG-CZ 4.37Å; Y414-F479 AromaticContact CZ-CZ 3.95Å; P477-F479 HydrophobicContact CB-CD1 3.63Å; P477-F479 HydrophobicContact CB-CE1 3.32Å; P477-F479 HydrophobicContact CB-CG 4.46Å; P477-F479 HydrophobicContact CB-CZ 3.92Å; P477-F479 HydrophobicContact CG-CD1 4.39Å; P477-F479 HydrophobicContact CG-CE1 3.71Å; P477-F479 HydrophobicContact CG-CZ 3.77Å; P477-F479 PolarHBondContact O-N 3.4Å; P477-F479 VanDerWaalsContact O-N 3.09Å; F479-M481 PolarHBondContact O-N 2.9Å; F479-N482 WeakPolarHBondContact O-CB 3.39Å; F479-N482 PolarHBondContact O-N 2.73Å; F479-N482 VanDerWaalsContact O-N 3.1Å; F479-Y485 HydrophobicContact CB-CD1 4.28Å; F479-Y485 HydrophobicContact CB-CE1 4.39Å; F479-Y485 AromaticContact CD2-CD1 3.57Å; F479-Y485 HydrophobicContact CD2-CD1 3.57Å; F479-Y485 AromaticContact CD2-CE1 3.28Å; F479-Y485 HydrophobicContact CD2-CE1 3.28Å; F479-Y485 HydrophobicContact CE2-CD1 4.33Å; F479-Y485 AromaticContact CE2-CE1 3.71Å; F479-Y485 HydrophobicContact CE2-CE1 3.71Å; F479-Y485 HydrophobicContact CG-CD1 4.28Å; F479-Y485 AromaticContact CG-CE1 4Å; F479-Y485 HydrophobicContact CG-CE1 4Å; F479-F529 AromaticContact CE1-CD1 3.85Å; F479-F529 HydrophobicContact CE1-CD1 3.85Å; F479-F529 AromaticContact CE1-CE1 3.67Å; F479-F529 HydrophobicContact CE1-CE1 3.67Å; F479-F529 HydrophobicContact CE1-CZ 4.5Å; F479-F529 AromaticContact CZ-CD1 3.81Å; F479-F529 HydrophobicContact CZ-CD1 3.81Å; F479-F529 AromaticContact CZ-CE1 3.91Å; F479-F529 HydrophobicContact CZ-CE1 3.91Å |
| 480 | I | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -68.7 | -18.6 | -179.8 | 79.1 | 178.6 | 0 | 0 | 0 | 112.2 | Y414 K418 Y476 P477 P478 N482 I486 P532 | Y414-I480 HydrophobicContact CD1-CG2 3.73Å; Y414-I480 HydrophobicContact CG-CG2 4.08Å; K418-I480 HydrophobicContact CB-CD1 4.49Å; K418-I480 HydrophobicContact CB-CG1 4.45Å; K418-I480 VanDerWaalsContact CD-O 3.3Å; K418-I480 WeakPolarHBondContact CD-O 3.06Å; Y476-I480 HydrophobicContact CD2-CD1 3.81Å; Y476-I480 HydrophobicContact CD2-CG1 3.9Å; Y476-I480 HydrophobicContact CG-CD1 4.03Å; P477-I480 HydrophobicContact CG-CG2 3.83Å; P477-I480 WeakPolarHBondContact O-CG1 3.35Å; P477-I480 PolarHBondContact O-N 3Å; P477-I480 VanDerWaalsContact O-N 3.16Å; P478-I480 PolarHBondContact O-N 3.35Å; P478-I480 VanDerWaalsContact O-N 3.1Å; I480-N482 VanDerWaalsContact C-N 3.26Å; I480-I486 HydrophobicContact CB-CD1 4.16Å; I480-I486 WeakPolarHBondContact O-CD1 3.45Å; I480-P532 HydrophobicContact CD1-CG 3.55Å |
| 481 | M | 94.8 | Very high | 93.9 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 29% | 0.286 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -79 | -15.1 | 176.9 | -64.3 | -56.1 | 178.2 | 0 | 0 | 112.2 | K418 V421 Y476 P478 F479 D483 | K418-M481 HydrophobicContact CG-SD 4.09Å; K418-M481 PolarHBondContact NZ-O 3.35Å; V421-M481 HydrophobicContact CB-CE 3.82Å; V421-M481 HydrophobicContact CG1-CE 3.24Å; Y476-M481 HydrophobicContact CD2-CE 3.94Å; Y476-M481 HydrophobicContact CD2-CG 4.42Å; Y476-M481 HydrophobicContact CE1-CE 4.29Å; Y476-M481 HydrophobicContact CE2-CE 3.52Å; Y476-M481 HydrophobicContact CE2-CG 3.72Å; Y476-M481 HydrophobicContact CE2-SD 4.5Å; Y476-M481 HydrophobicContact CG-CE 4.49Å; P478-M481 PolarHBondContact O-N 2.97Å; P478-M481 VanDerWaalsContact O-N 3.09Å; F479-M481 PolarHBondContact O-N 2.9Å; M481-D483 PolarHBondContact O-N 3.46Å |
| 482 | N | 95.3 | Very high | 93.7 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | trans | -85.6 | 104.3 | 177.6 | -174.3 | -19.8 | 0 | 0 | 0 | 111.1 | F479 I480 T484 Y485 I486 | F479-N482 WeakPolarHBondContact O-CB 3.39Å; F479-N482 PolarHBondContact O-N 2.73Å; F479-N482 VanDerWaalsContact O-N 3.1Å; I480-N482 VanDerWaalsContact C-N 3.26Å; N482-T484 VanDerWaalsContact C-N 3.26Å; N482-T484 PolarHBondContact O-N 3.18Å; N482-T484 VanDerWaalsContact OD1-CB 3.29Å; N482-T484 WeakPolarHBondContact OD1-CB 3.42Å; N482-T484 PolarHBondContact OD1-N 3.27Å; N482-Y485 PolarHBondContact O-N 3.15Å; N482-Y485 PolarHBondContact OD1-N 2.94Å; N482-I486 PolarHBondContact O-N 3.49Å | ||
| 483 | D | 93.8 | Very high | 93.6 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 33% | 0.326 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.8 | -34.5 | 178.7 | -80.1 | -52.5 | 0 | 0 | 0 | 113.1 | S127 K418 M481 Y485 I486 N487 | S127-D483 WeakPolarHBondContact CB-OD1 3.46Å; S127-D483 PolarHBondContact OG-OD1 2.69Å; K418-D483 IonicContact NZ-OD1 3.36Å; K418-D483 PolarHBondContact NZ-OD1 3.04Å; K418-D483 IonicContact NZ-OD2 3.57Å; K418-D483 PolarHBondContact NZ-OD2 2.78Å; M481-D483 PolarHBondContact O-N 3.46Å; D483-Y485 VanDerWaalsContact C-N 3.34Å; D483-Y485 PolarHBondContact O-N 2.85Å; D483-I486 PolarHBondContact O-N 3.38Å; D483-N487 VanDerWaalsContact O-CB 3.28Å; D483-N487 WeakPolarHBondContact O-CB 3.18Å; D483-N487 PolarHBondContact O-N 2.57Å; D483-N487 PolarHBondContact O-ND2 2.92Å |
| 484 | T | 94.4 | Very high | 93.6 | Very high | 109 Ų | 109 | 54 Ų | 54 | 67% | 0.669 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.3 | -44.9 | 177.6 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | N482 E488 | N482-T484 VanDerWaalsContact C-N 3.26Å; N482-T484 PolarHBondContact O-N 3.18Å; N482-T484 VanDerWaalsContact OD1-CB 3.29Å; N482-T484 WeakPolarHBondContact OD1-CB 3.42Å; N482-T484 PolarHBondContact OD1-N 3.27Å; T484-E488 VanDerWaalsContact O-CB 3.32Å; T484-E488 WeakPolarHBondContact O-CB 3.41Å; T484-E488 PolarHBondContact O-N 3.46Å; T484-E488 VanDerWaalsContact O-N 3.1Å |
| 485 | Y | 92.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 34% | 0.341 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.6 | -50.8 | 178.8 | -178.4 | -87.1 | 0 | 0 | 0 | 111.5 | F479 N482 D483 N487 E488 D489 | F479-Y485 HydrophobicContact CB-CD1 4.28Å; F479-Y485 HydrophobicContact CB-CE1 4.39Å; F479-Y485 AromaticContact CD2-CD1 3.57Å; F479-Y485 HydrophobicContact CD2-CD1 3.57Å; F479-Y485 AromaticContact CD2-CE1 3.28Å; F479-Y485 HydrophobicContact CD2-CE1 3.28Å; F479-Y485 HydrophobicContact CE2-CD1 4.33Å; F479-Y485 AromaticContact CE2-CE1 3.71Å; F479-Y485 HydrophobicContact CE2-CE1 3.71Å; F479-Y485 HydrophobicContact CG-CD1 4.28Å; F479-Y485 AromaticContact CG-CE1 4Å; F479-Y485 HydrophobicContact CG-CE1 4Å; N482-Y485 PolarHBondContact O-N 3.15Å; N482-Y485 PolarHBondContact OD1-N 2.94Å; D483-Y485 VanDerWaalsContact C-N 3.34Å; D483-Y485 PolarHBondContact O-N 2.85Å; Y485-N487 PolarHBondContact O-N 2.68Å; Y485-E488 PolarHBondContact O-N 2.89Å; Y485-D489 PolarHBondContact O-N 3.3Å |
| 486 | I | 93.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -46.8 | -179.2 | -68.1 | -172.9 | 0 | 0 | 0 | 110.9 | A129 V415 K418 I480 N482 D483 E488 D489 I490 | A129-I486 HydrophobicContact CB-CG2 3.45Å; A129-I486 VanDerWaalsContact CB-CG2 3.45Å; V415-I486 HydrophobicContact CG2-CG2 3.66Å; K418-I486 HydrophobicContact CB-CD1 4.36Å; K418-I486 HydrophobicContact CD-CD1 4.14Å; I480-I486 HydrophobicContact CB-CD1 4.16Å; I480-I486 WeakPolarHBondContact O-CD1 3.45Å; N482-I486 PolarHBondContact O-N 3.49Å; D483-I486 PolarHBondContact O-N 3.38Å; I486-E488 VanDerWaalsContact C-N 3.28Å; I486-E488 PolarHBondContact O-N 3.28Å; I486-D489 PolarHBondContact O-N 2.93Å; I486-I490 HydrophobicContact CG2-CD1 4.43Å; I486-I490 WeakPolarHBondContact O-CG1 3.27Å; I486-I490 PolarHBondContact O-N 3.18Å |
| 487 | N | 94 | Very high | 93.9 | Very high | 37 Ų | 37 | 60 Ų | 60 | 20% | 0.198 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | -177.9 | -71.2 | -28 | 0 | 0 | 0 | 111.8 | A129 D483 Y485 I490 K491 | A129-N487 VanDerWaalsContact CB-OD1 3.31Å; A129-N487 WeakPolarHBondContact CB-OD1 3.18Å; A129-N487 PolarHBondContact N-OD1 2.76Å; D483-N487 VanDerWaalsContact O-CB 3.28Å; D483-N487 WeakPolarHBondContact O-CB 3.18Å; D483-N487 PolarHBondContact O-N 2.57Å; D483-N487 PolarHBondContact O-ND2 2.92Å; Y485-N487 PolarHBondContact O-N 2.68Å; N487-I490 PolarHBondContact O-N 3.08Å; N487-K491 WeakPolarHBondContact O-CA 3.4Å; N487-K491 WeakPolarHBondContact O-CB 3.49Å; N487-K491 PolarHBondContact O-N 2.76Å |
| 488 | E | 92.1 | Very high | 93.9 | Very high | 106 Ų | 106 | 63.8 Ų | 63.8 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 177.2 | -177.4 | 60.1 | -161.9 | 0 | 0 | 111.9 | T484 Y485 I486 I490 K491 | T484-E488 VanDerWaalsContact O-CB 3.32Å; T484-E488 WeakPolarHBondContact O-CB 3.41Å; T484-E488 PolarHBondContact O-N 3.46Å; T484-E488 VanDerWaalsContact O-N 3.1Å; Y485-E488 PolarHBondContact O-N 2.89Å; I486-E488 VanDerWaalsContact C-N 3.28Å; I486-E488 PolarHBondContact O-N 3.28Å; E488-I490 VanDerWaalsContact C-N 3.26Å; E488-I490 PolarHBondContact O-N 2.94Å; E488-K491 WeakPolarHBondContact O-CB 3.41Å; E488-K491 VanDerWaalsContact O-CG 3.29Å; E488-K491 WeakPolarHBondContact O-CG 3.49Å; E488-K491 PolarHBondContact O-N 2.8Å; E488-K491 WeakPolarHBondContact OE1-CD 3.33Å; E488-K491 WeakPolarHBondContact OE1-CE 3.38Å; E488-K491 IonicContact OE1-NZ 3.15Å; E488-K491 PolarHBondContact OE1-NZ 2.94Å; E488-K491 WeakPolarHBondContact OE2-CD 3.44Å; E488-K491 IonicContact OE2-NZ 3.52Å |
| 489 | D | 88.6 | Confident | 94 | Very high | 61 Ų | 61 | 63 Ų | 63 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -37 | 178.7 | -175.1 | 44.1 | 0 | 0 | 0 | 112.3 | Y485 I486 Y510 | Y485-D489 PolarHBondContact O-N 3.3Å; I486-D489 PolarHBondContact O-N 2.93Å; D489-Y510 VanDerWaalsContact O-CE2 3.22Å; D489-Y510 WeakPolarHBondContact O-CE2 3.16Å; D489-Y510 PolarHBondContact OD1-OH 3.15Å; D489-Y510 PolarHBondContact OD2-OH 2.95Å |
| 490 | I | 92.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 15.5 | -177.1 | 71.9 | 176.5 | 0 | 0 | 0 | 114.1 | A129 K132 L412 V415 I486 N487 E488 T492 M493 | A129-I490 HydrophobicContact CB-CD1 3.66Å; K132-I490 HydrophobicContact CD-CD1 3.92Å; K132-I490 HydrophobicContact CD-CG1 4.26Å; K132-I490 PolarHBondContact NZ-O 2.77Å; K132-I490 VanDerWaalsContact NZ-O 3.12Å; L412-I490 HydrophobicContact CD2-CB 4.37Å; L412-I490 HydrophobicContact CD2-CD1 4.11Å; L412-I490 HydrophobicContact CD2-CG2 3.91Å; V415-I490 HydrophobicContact CG2-CD1 3.99Å; I486-I490 HydrophobicContact CG2-CD1 4.43Å; I486-I490 WeakPolarHBondContact O-CG1 3.27Å; I486-I490 PolarHBondContact O-N 3.18Å; N487-I490 PolarHBondContact O-N 3.08Å; E488-I490 VanDerWaalsContact C-N 3.26Å; E488-I490 PolarHBondContact O-N 2.94Å; I490-T492 PolarHBondContact O-N 3.39Å; I490-T492 VanDerWaalsContact O-N 3.15Å; I490-M493 HydrophobicContact CB-CE 3.57Å; I490-M493 HydrophobicContact CG2-CE 3.48Å; I490-M493 VanDerWaalsContact CG2-CE 3.48Å; I490-M493 PolarHBondContact O-N 2.73Å; I490-M493 VanDerWaalsContact O-N 3.12Å |
| 491 | K | 92.6 | Very high | 94.3 | Very high | 110 Ų | 110 | 63.2 Ų | 63.2 | 48% | 0.478 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.6 | -174.1 | 72.8 | -174.8 | 177.7 | 179.6 | 0 | 113.8 | N487 E488 M493 | N487-K491 WeakPolarHBondContact O-CA 3.4Å; N487-K491 WeakPolarHBondContact O-CB 3.49Å; N487-K491 PolarHBondContact O-N 2.76Å; E488-K491 WeakPolarHBondContact O-CB 3.41Å; E488-K491 VanDerWaalsContact O-CG 3.29Å; E488-K491 WeakPolarHBondContact O-CG 3.49Å; E488-K491 PolarHBondContact O-N 2.8Å; E488-K491 WeakPolarHBondContact OE1-CD 3.33Å; E488-K491 WeakPolarHBondContact OE1-CE 3.38Å; E488-K491 IonicContact OE1-NZ 3.15Å; E488-K491 PolarHBondContact OE1-NZ 2.94Å; E488-K491 WeakPolarHBondContact OE2-CD 3.44Å; E488-K491 IonicContact OE2-NZ 3.52Å; K491-M493 VanDerWaalsContact C-N 3.33Å |
| 492 | T | 90.4 | Very high | 94.4 | Very high | 82 Ų | 82 | 61 Ų | 61 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -19.4 | -177 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | I490 | I490-T492 PolarHBondContact O-N 3.39Å; I490-T492 VanDerWaalsContact O-N 3.15Å |
| 493 | M | 94.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | trans | -85.1 | 122.2 | 179.7 | -66 | -169.4 | -80.7 | 0 | 0 | 110.5 | K132 L412 I490 K491 F495 Y510 | K132-M493 WeakPolarHBondContact CE-O 3.36Å; K132-M493 PolarHBondContact NZ-O 3.11Å; L412-M493 HydrophobicContact CD2-CE 3.61Å; I490-M493 HydrophobicContact CB-CE 3.57Å; I490-M493 HydrophobicContact CG2-CE 3.48Å; I490-M493 VanDerWaalsContact CG2-CE 3.48Å; I490-M493 PolarHBondContact O-N 2.73Å; I490-M493 VanDerWaalsContact O-N 3.12Å; K491-M493 VanDerWaalsContact C-N 3.33Å; M493-F495 HydrophobicContact CB-CE1 4.22Å; M493-F495 HydrophobicContact CB-CE2 4.19Å; M493-F495 HydrophobicContact CB-CZ 3.85Å; M493-F495 HydrophobicContact CG-CZ 4.23Å; M493-F495 HydrophobicContact SD-CE1 4.4Å; M493-F495 HydrophobicContact SD-CE2 4.47Å; M493-F495 HydrophobicContact SD-CZ 3.68Å; M493-Y510 HydrophobicContact CE-CD1 3.89Å; M493-Y510 HydrophobicContact CE-CD2 4.21Å; M493-Y510 HydrophobicContact CE-CE1 4.13Å; M493-Y510 HydrophobicContact CE-CE2 4.42Å; M493-Y510 HydrophobicContact CE-CG 3.95Å; M493-Y510 HydrophobicContact CG-CG 4.44Å; M493-Y510 HydrophobicContact SD-CD1 4.17Å; M493-Y510 HydrophobicContact SD-CG 3.94Å | ||
| 494 | K | 95.8 | Very high | 94.7 | Very high | 155 Ų | 155 | 54.2 Ų | 54.2 | 67% | 0.674 | 28% | 0.28 | S | S | * | . | trans | -126.3 | 85.3 | -179 | -63 | -174.6 | -177.1 | -176.6 | 0 | 109.1 | Q506 | K494-Q506 PolarHBondContact O-NE2 3.39Å; K494-Q506 PolarHBondContact O-OE1 3.08Å | ||
| 495 | F | 97.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 51 Ų | 51 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | trans | -77.2 | 151 | -178.1 | -57.3 | -47.7 | 0 | 0 | 0 | 112.4 | K132 I135 L136 L412 M493 N503 Q506 | K132-F495 HydrophobicContact CB-CD2 4.04Å; K132-F495 HydrophobicContact CB-CE2 4.48Å; I135-F495 HydrophobicContact CG2-CB 3.85Å; L136-F495 HydrophobicContact CB-CD2 3.99Å; L136-F495 HydrophobicContact CB-CE2 4.35Å; L136-F495 HydrophobicContact CB-CG 4.35Å; L136-F495 HydrophobicContact CD1-CD1 4.32Å; L136-F495 HydrophobicContact CD1-CE1 4.39Å; L136-F495 HydrophobicContact CD1-CG 4.43Å; L136-F495 HydrophobicContact CD2-CD2 4.49Å; L136-F495 HydrophobicContact CD2-CE2 4.04Å; L136-F495 HydrophobicContact CD2-CZ 4.14Å; L412-F495 HydrophobicContact CD1-CE2 4.07Å; L412-F495 HydrophobicContact CD2-CE2 4.32Å; L412-F495 HydrophobicContact CG-CE2 4.43Å; M493-F495 HydrophobicContact CB-CE1 4.22Å; M493-F495 HydrophobicContact CB-CE2 4.19Å; M493-F495 HydrophobicContact CB-CZ 3.85Å; M493-F495 HydrophobicContact CG-CZ 4.23Å; M493-F495 HydrophobicContact SD-CE1 4.4Å; M493-F495 HydrophobicContact SD-CE2 4.47Å; M493-F495 HydrophobicContact SD-CZ 3.68Å; F495-N503 VanDerWaalsContact CA-OD1 3.25Å; F495-N503 WeakPolarHBondContact CA-OD1 3.44Å; F495-N503 HydrophobicContact CD1-CB 3.67Å; F495-N503 HydrophobicContact CE1-CB 4.23Å; F495-N503 HydrophobicContact CG-CB 4.47Å; F495-Q506 HydrophobicContact CE1-CB 4.19Å | ||
| 496 | T | 97 | Very high | 95.1 | Very high | 59 Ų | 59 | 49.7 Ų | 49.7 | 36% | 0.362 | 26% | 0.256 | S | S | . | . | trans | -129.8 | 146 | 173.4 | 74.2 | 0 | 0 | 0 | 0 | 110.9 | S139 S498 D499 N503 | S139-T496 WeakPolarHBondContact CB-O 3.09Å; T496-S498 PolarHBondContact O-N 2.78Å; T496-S498 PolarHBondContact OG1-OG 3.26Å; T496-D499 WeakPolarHBondContact OG1-CB 3.39Å; T496-D499 PolarHBondContact OG1-N 3.23Å; T496-N503 PolarHBondContact N-OD1 3.39Å; T496-N503 PolarHBondContact O-ND2 3.28Å | ||
| 497 | E | 95.8 | Very high | 95.2 | Very high | 105 Ų | 105 | 49.7 Ų | 49.7 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -13.5 | 178.8 | -64.3 | -176.5 | -170.6 | 0 | 0 | 113.4 | I135 A138 | I135-E497 HydrophobicContact CB-CG 4.48Å; I135-E497 HydrophobicContact CG1-CG 4.4Å; I135-E497 HydrophobicContact CG2-CG 3.94Å; A138-E497 HydrophobicContact CB-CG 4.38Å |
| 498 | S | 95 | Very high | 95.3 | Very high | 78 Ų | 78 | 51.7 Ų | 51.7 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -19.1 | -176.8 | 50.5 | 0 | 0 | 0 | 0 | 115 | T496 | T496-S498 PolarHBondContact O-N 2.78Å; T496-S498 PolarHBondContact OG1-OG 3.26Å |
| 499 | D | 95.8 | Very high | 95.5 | Very high | 75 Ų | 75 | 51.8 Ų | 51.8 | 40% | 0.401 | 26% | 0.26 | S | S | . | . | trans | -123.2 | 74.7 | -171.8 | -174.3 | 13.1 | 0 | 0 | 0 | 111.8 | T496 G502 N503 | T496-D499 WeakPolarHBondContact OG1-CB 3.39Å; T496-D499 PolarHBondContact OG1-N 3.23Å; D499-G502 WeakPolarHBondContact OD1-CA 3.33Å; D499-G502 PolarHBondContact OD1-N 2.82Å; D499-G502 WeakPolarHBondContact OD2-CA 3.48Å; D499-N503 WeakPolarHBondContact O-CB 3.38Å; D499-N503 PolarHBondContact O-N 3.18Å; D499-N503 PolarHBondContact O-ND2 2.89Å; D499-N503 PolarHBondContact O-OD1 2.73Å | ||
| 500 | Y | 97.5 | Very high | 95.8 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 8% | 0.078 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57 | -50.2 | 177.1 | 171.1 | -115.2 | 0 | 0 | 0 | 112.7 | C140 I146 N375 L407 G502 N503 V504 | C140-Y500 VanDerWaalsContact CA-CD2 3.4Å; C140-Y500 HydrophobicContact CB-CD2 3.7Å; C140-Y500 HydrophobicContact CB-CE2 3.45Å; C140-Y500 VanDerWaalsContact CB-CE2 3.45Å; I146-Y500 HydrophobicContact CD1-CD1 3.63Å; I146-Y500 HydrophobicContact CD1-CE1 3.95Å; I146-Y500 HydrophobicContact CD1-CG 3.99Å; I146-Y500 HydrophobicContact CG1-CD1 3.76Å; I146-Y500 HydrophobicContact CG1-CE1 4.46Å; I146-Y500 HydrophobicContact CG1-CG 4.18Å; N375-Y500 HydrophobicContact CB-CE1 3.75Å; N375-Y500 PolarHBondContact ND2-OH 3.37Å; L407-Y500 HydrophobicContact CD2-CD2 4.26Å; L407-Y500 HydrophobicContact CD2-CE2 3.43Å; L407-Y500 VanDerWaalsContact CD2-CE2 3.43Å; Y500-G502 PolarHBondContact O-N 3.25Å; Y500-N503 WeakPolarHBondContact O-CB 3.29Å; Y500-N503 PolarHBondContact O-N 3.41Å; Y500-V504 HydrophobicContact CD2-CG2 4.35Å; Y500-V504 HydrophobicContact CE1-CG2 4.43Å; Y500-V504 HydrophobicContact CE2-CG2 3.93Å; Y500-V504 WeakPolarHBondContact O-CG2 3.3Å; Y500-V504 PolarHBondContact O-N 3.27Å |
| 501 | F | 97.7 | Very high | 95.9 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 6% | 0.057 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | -176.1 | -167.1 | -90.4 | 0 | 0 | 0 | 111.2 | P153 L154 I157 R372 N375 L376 V504 L505 | P153-F501 HydrophobicContact CB-CB 3.86Å; P153-F501 HydrophobicContact CB-CD1 3.26Å; P153-F501 HydrophobicContact CB-CD2 4.02Å; P153-F501 HydrophobicContact CB-CE1 3.65Å; P153-F501 HydrophobicContact CB-CE2 4.38Å; P153-F501 HydrophobicContact CB-CG 3.45Å; P153-F501 VanDerWaalsContact CB-CG 3.45Å; P153-F501 HydrophobicContact CB-CZ 4.21Å; P153-F501 HydrophobicContact CG-CB 4.13Å; P153-F501 HydrophobicContact CG-CD1 4.39Å; P153-F501 HydrophobicContact CG-CG 4.17Å; L154-F501 HydrophobicContact CB-CZ 4.2Å; I157-F501 HydrophobicContact CD1-CE1 3.78Å; I157-F501 HydrophobicContact CD1-CZ 4.15Å; R372-F501 HydrophobicContact CB-CE2 4.44Å; N375-F501 HydrophobicContact CB-CD2 4.04Å; N375-F501 HydrophobicContact CB-CE2 4.29Å; L376-F501 HydrophobicContact CD2-CD2 4.06Å; L376-F501 HydrophobicContact CD2-CE2 3.69Å; F501-V504 WeakPolarHBondContact O-CB 3.14Å; F501-V504 PolarHBondContact O-N 3.49Å; F501-L505 HydrophobicContact CD1-CD1 3.94Å; F501-L505 HydrophobicContact CD1-CG 4.06Å; F501-L505 HydrophobicContact CE1-CD1 3.81Å; F501-L505 HydrophobicContact CE1-CD2 4.12Å; F501-L505 HydrophobicContact CE1-CG 4Å; F501-L505 WeakPolarHBondContact O-CG 3.22Å; F501-L505 PolarHBondContact O-N 3.43Å |
| 502 | G | 97.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 48 Ų | 48 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | D499 Y500 V504 L505 Q506 | D499-G502 WeakPolarHBondContact OD1-CA 3.33Å; D499-G502 PolarHBondContact OD1-N 2.82Å; D499-G502 WeakPolarHBondContact OD2-CA 3.48Å; Y500-G502 PolarHBondContact O-N 3.25Å; G502-V504 VanDerWaalsContact C-N 3.34Å; G502-V504 PolarHBondContact O-N 2.88Å; G502-L505 PolarHBondContact O-N 3.3Å; G502-Q506 WeakPolarHBondContact O-CG 3.31Å; G502-Q506 PolarHBondContact O-N 2.79Å |
| 503 | N | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 171.8 | -66.9 | -19 | 0 | 0 | 0 | 111.4 | L136 S139 F495 T496 D499 Y500 L505 Q506 T507 | L136-N503 HydrophobicContact CD1-CB 3.64Å; S139-N503 WeakPolarHBondContact CB-ND2 3.27Å; S139-N503 PolarHBondContact OG-ND2 3.45Å; F495-N503 VanDerWaalsContact CA-OD1 3.25Å; F495-N503 WeakPolarHBondContact CA-OD1 3.44Å; F495-N503 HydrophobicContact CD1-CB 3.67Å; F495-N503 HydrophobicContact CE1-CB 4.23Å; F495-N503 HydrophobicContact CG-CB 4.47Å; T496-N503 PolarHBondContact N-OD1 3.39Å; T496-N503 PolarHBondContact O-ND2 3.28Å; D499-N503 WeakPolarHBondContact O-CB 3.38Å; D499-N503 PolarHBondContact O-N 3.18Å; D499-N503 PolarHBondContact O-ND2 2.89Å; D499-N503 PolarHBondContact O-OD1 2.73Å; Y500-N503 WeakPolarHBondContact O-CB 3.29Å; Y500-N503 PolarHBondContact O-N 3.41Å; N503-L505 VanDerWaalsContact C-N 3.32Å; N503-L505 PolarHBondContact O-N 2.91Å; N503-Q506 WeakPolarHBondContact O-CB 3.49Å; N503-Q506 PolarHBondContact O-N 2.65Å; N503-T507 PolarHBondContact O-N 3.42Å; N503-T507 PolarHBondContact O-OG1 2.94Å |
| 504 | V | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -44.2 | 175 | 171.8 | 0 | 0 | 0 | 0 | 111 | L407 Y500 F501 G502 T507 R508 | L407-V504 HydrophobicContact CD1-CG2 4.05Å; L407-V504 HydrophobicContact CD2-CG2 4.29Å; Y500-V504 HydrophobicContact CD2-CG2 4.35Å; Y500-V504 HydrophobicContact CE1-CG2 4.43Å; Y500-V504 HydrophobicContact CE2-CG2 3.93Å; Y500-V504 WeakPolarHBondContact O-CG2 3.3Å; Y500-V504 PolarHBondContact O-N 3.27Å; F501-V504 WeakPolarHBondContact O-CB 3.14Å; F501-V504 PolarHBondContact O-N 3.49Å; G502-V504 VanDerWaalsContact C-N 3.34Å; G502-V504 PolarHBondContact O-N 2.88Å; V504-T507 PolarHBondContact O-N 3.06Å; V504-R508 HydrophobicContact CG1-CG 4.44Å; V504-R508 WeakPolarHBondContact O-CG 3.28Å; V504-R508 PolarHBondContact O-N 2.77Å |
| 505 | L | 96.7 | Very high | 96.4 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -38.4 | 177.7 | -65.5 | -176.1 | 0 | 0 | 0 | 112.8 | I157 Y196 F501 G502 N503 R508 K509 | I157-L505 HydrophobicContact CD1-CD1 3.99Å; I157-L505 HydrophobicContact CD1-CD2 4.17Å; Y196-L505 HydrophobicContact CD1-CD2 4.02Å; Y196-L505 HydrophobicContact CE1-CD2 3.79Å; F501-L505 HydrophobicContact CD1-CD1 3.94Å; F501-L505 HydrophobicContact CD1-CG 4.06Å; F501-L505 HydrophobicContact CE1-CD1 3.81Å; F501-L505 HydrophobicContact CE1-CD2 4.12Å; F501-L505 HydrophobicContact CE1-CG 4Å; F501-L505 WeakPolarHBondContact O-CG 3.22Å; F501-L505 PolarHBondContact O-N 3.43Å; G502-L505 PolarHBondContact O-N 3.3Å; N503-L505 VanDerWaalsContact C-N 3.32Å; N503-L505 PolarHBondContact O-N 2.91Å; L505-R508 PolarHBondContact O-N 3.45Å; L505-K509 WeakPolarHBondContact O-CB 3.44Å; L505-K509 PolarHBondContact O-N 3.35Å |
| 506 | Q | 96.6 | Very high | 96.4 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 28% | 0.276 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 174.4 | -73.4 | -177 | 71.6 | 0 | 0 | 111.1 | K494 F495 G502 N503 R508 K509 Y510 | K494-Q506 PolarHBondContact O-NE2 3.39Å; K494-Q506 PolarHBondContact O-OE1 3.08Å; F495-Q506 HydrophobicContact CE1-CB 4.19Å; G502-Q506 WeakPolarHBondContact O-CG 3.31Å; G502-Q506 PolarHBondContact O-N 2.79Å; N503-Q506 WeakPolarHBondContact O-CB 3.49Å; N503-Q506 PolarHBondContact O-N 2.65Å; Q506-R508 PolarHBondContact O-N 3.49Å; Q506-K509 PolarHBondContact O-N 3.05Å; Q506-Y510 PolarHBondContact O-N 3.12Å |
| 507 | T | 96.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | A411 N503 V504 K509 Y510 T511 | A411-T507 HydrophobicContact CB-CG2 3.44Å; A411-T507 VanDerWaalsContact CB-CG2 3.44Å; N503-T507 PolarHBondContact O-N 3.42Å; N503-T507 PolarHBondContact O-OG1 2.94Å; V504-T507 PolarHBondContact O-N 3.06Å; T507-K509 VanDerWaalsContact C-N 3.31Å; T507-K509 PolarHBondContact O-N 3.24Å; T507-Y510 PolarHBondContact O-N 3.12Å; T507-T511 PolarHBondContact O-N 3.16Å; T507-T511 PolarHBondContact O-OG1 2.85Å; T507-T511 VanDerWaalsContact O-OG1 3.06Å |
| 508 | R | 95.9 | Very high | 96.3 | Very high | 79 Ų | 79 | 39 Ų | 39 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.9 | -37.4 | -179.6 | -67 | -63.6 | 166.7 | -160.9 | -4.9 | 112.6 | V504 L505 Q506 A512 | V504-R508 HydrophobicContact CG1-CG 4.44Å; V504-R508 WeakPolarHBondContact O-CG 3.28Å; V504-R508 PolarHBondContact O-N 2.77Å; L505-R508 PolarHBondContact O-N 3.45Å; Q506-R508 PolarHBondContact O-N 3.49Å; R508-A512 WeakPolarHBondContact O-CB 3.47Å; R508-A512 PolarHBondContact O-N 3.15Å |
| 509 | K | 95.8 | Very high | 96.3 | Very high | 108 Ų | 108 | 35.3 Ų | 35.3 | 47% | 0.47 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.9 | -176.2 | 177.3 | 177 | -176.9 | 0 | 112.1 | Q195 L505 Q506 T507 A512 | Q195-K509 VanDerWaalsContact O-CA 3.26Å; Q195-K509 WeakPolarHBondContact O-CA 3.36Å; Q195-K509 PolarHBondContact O-N 2.8Å; L505-K509 WeakPolarHBondContact O-CB 3.44Å; L505-K509 PolarHBondContact O-N 3.35Å; Q506-K509 PolarHBondContact O-N 3.05Å; T507-K509 VanDerWaalsContact C-N 3.31Å; T507-K509 PolarHBondContact O-N 3.24Å; K509-A512 PolarHBondContact O-N 2.75Å |
| 510 | Y | 95.4 | Very high | 96.3 | Very high | 52 Ų | 52 | 38 Ų | 38 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.9 | -52.1 | 175 | 173.2 | -93.8 | 0 | 0 | 0 | 111 | D489 M493 Q506 T507 A512 Q513 S514 | D489-Y510 VanDerWaalsContact O-CE2 3.22Å; D489-Y510 WeakPolarHBondContact O-CE2 3.16Å; D489-Y510 PolarHBondContact OD1-OH 3.15Å; D489-Y510 PolarHBondContact OD2-OH 2.95Å; M493-Y510 HydrophobicContact CE-CD1 3.89Å; M493-Y510 HydrophobicContact CE-CD2 4.21Å; M493-Y510 HydrophobicContact CE-CE1 4.13Å; M493-Y510 HydrophobicContact CE-CE2 4.42Å; M493-Y510 HydrophobicContact CE-CG 3.95Å; M493-Y510 HydrophobicContact CG-CG 4.44Å; M493-Y510 HydrophobicContact SD-CD1 4.17Å; M493-Y510 HydrophobicContact SD-CG 3.94Å; Q506-Y510 PolarHBondContact O-N 3.12Å; T507-Y510 PolarHBondContact O-N 3.12Å; Y510-A512 PolarHBondContact O-N 2.63Å; Y510-Q513 PolarHBondContact O-N 2.82Å; Y510-S514 PolarHBondContact O-N 3.5Å |
| 511 | T | 94.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 28% | 0.276 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.7 | -30.3 | 177.5 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | T507 Q513 S514 | T507-T511 PolarHBondContact O-N 3.16Å; T507-T511 PolarHBondContact O-OG1 2.85Å; T507-T511 VanDerWaalsContact O-OG1 3.06Å; T511-Q513 PolarHBondContact O-N 3.02Å; T511-S514 PolarHBondContact O-OG 2.86Å |
| 512 | A | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -20 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R193 G194 R508 K509 Y510 | R193-A512 PolarHBondContact NH1-O 3.33Å; R193-A512 VanDerWaalsContact O-CB 3.3Å; R193-A512 WeakPolarHBondContact O-CB 3.43Å; G194-A512 VanDerWaalsContact C-CB 3.49Å; G194-A512 VanDerWaalsContact O-CB 3.29Å; G194-A512 WeakPolarHBondContact O-CB 3.44Å; R508-A512 WeakPolarHBondContact O-CB 3.47Å; R508-A512 PolarHBondContact O-N 3.15Å; K509-A512 PolarHBondContact O-N 2.75Å; Y510-A512 PolarHBondContact O-N 2.63Å |
| 513 | Q | 96.4 | Very high | 96 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -111.8 | -23.4 | -176.9 | -67.7 | -61.2 | -47.9 | 0 | 0 | 112.7 | G194 V319 L324 Y325 Y510 T511 D515 F516 | G194-Q513 PolarHBondContact O-NE2 3.02Å; V319-Q513 PolarHBondContact O-NE2 2.99Å; L324-Q513 HydrophobicContact CD1-CB 3.86Å; L324-Q513 HydrophobicContact CD1-CG 3.81Å; Y325-Q513 HydrophobicContact CE2-CB 4Å; Y325-Q513 WeakPolarHBondContact CE2-O 3.39Å; Y325-Q513 PolarHBondContact OH-O 3.37Å; Y510-Q513 PolarHBondContact O-N 2.82Å; T511-Q513 PolarHBondContact O-N 3.02Å; Q513-D515 VanDerWaalsContact C-N 3.28Å; Q513-D515 PolarHBondContact O-N 3.26Å; Q513-D515 VanDerWaalsContact O-N 3.11Å; Q513-F516 PolarHBondContact O-N 2.8Å |
| 514 | S | 94.3 | Very high | 95.8 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 28% | 0.28 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.6 | -167.2 | 63.1 | 0 | 0 | 0 | 0 | 115.4 | Y510 T511 Y517 | Y510-S514 PolarHBondContact O-N 3.5Å; T511-S514 PolarHBondContact O-OG 2.86Å; S514-Y517 WeakPolarHBondContact O-CB 3.23Å |
| 515 | D | 95.9 | Very high | 95.4 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -30 | 178.4 | 65.7 | -34.9 | 0 | 0 | 0 | 113 | R193 Y205 V206 Q513 Y517 W518 | R193-D515 IonicContact CZ-OD1 3.28Å; R193-D515 IonicContact NH2-OD1 3.11Å; R193-D515 PolarHBondContact NH2-OD1 3.35Å; R193-D515 IonicContact NH2-OD2 3.36Å; R193-D515 PolarHBondContact NH2-OD2 3.3Å; Y205-D515 WeakPolarHBondContact CA-OD2 3.46Å; Y205-D515 WeakPolarHBondContact CB-OD2 3.22Å; V206-D515 HydrophobicContact CB-CB 4.31Å; V206-D515 WeakPolarHBondContact CB-O 3.11Å; V206-D515 PolarHBondContact N-OD2 2.86Å; Q513-D515 VanDerWaalsContact C-N 3.28Å; Q513-D515 PolarHBondContact O-N 3.26Å; Q513-D515 VanDerWaalsContact O-N 3.11Å; D515-Y517 PolarHBondContact O-N 3.44Å; D515-W518 WeakPolarHBondContact O-CB 3.46Å; D515-W518 PolarHBondContact O-N 2.84Å; D515-W518 VanDerWaalsContact O-N 3.1Å |
| 516 | F | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -66.1 | -23.9 | 178.4 | -62.6 | -65.5 | 0 | 0 | 0 | 113.6 | L204 V206 L218 V319 I320 Y325 L328 Q513 W518 L519 | L204-F516 HydrophobicContact CD2-CZ 4.27Å; L204-F516 HydrophobicContact CG-CZ 4.39Å; V206-F516 HydrophobicContact CG2-CD1 3.6Å; V206-F516 HydrophobicContact CG2-CE1 4.02Å; V206-F516 HydrophobicContact CG2-CG 4.47Å; L218-F516 HydrophobicContact CD2-CD1 4.18Å; L218-F516 HydrophobicContact CD2-CE1 3.79Å; V319-F516 HydrophobicContact CG1-CE2 3.64Å; V319-F516 HydrophobicContact CG1-CZ 3.52Å; I320-F516 HydrophobicContact CD1-CD1 3.96Å; I320-F516 HydrophobicContact CD1-CE1 4.03Å; I320-F516 HydrophobicContact CG1-CD1 3.73Å; I320-F516 HydrophobicContact CG1-CD2 4.23Å; I320-F516 HydrophobicContact CG1-CE1 3.71Å; I320-F516 HydrophobicContact CG1-CE2 4.22Å; I320-F516 HydrophobicContact CG1-CG 4.01Å; I320-F516 HydrophobicContact CG1-CZ 3.98Å; Y325-F516 HydrophobicContact CD2-CB 3.91Å; Y325-F516 HydrophobicContact CE2-CB 3.8Å; L328-F516 HydrophobicContact CD1-CB 4.1Å; Q513-F516 PolarHBondContact O-N 2.8Å; F516-W518 PolarHBondContact O-N 3.34Å; F516-W518 VanDerWaalsContact O-N 3.09Å; F516-L519 WeakPolarHBondContact O-CB 3.19Å; F516-L519 PolarHBondContact O-N 3.27Å |
| 517 | Y | 94.6 | Very high | 94.6 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -51.8 | -31.5 | 170.5 | 174 | -98.3 | 0 | 0 | 0 | 113 | Y325 S514 D515 K521 | Y325-Y517 HydrophobicContact CE1-CD2 4.17Å; Y325-Y517 HydrophobicContact CE1-CG 4.45Å; S514-Y517 WeakPolarHBondContact O-CB 3.23Å; D515-Y517 PolarHBondContact O-N 3.44Å; Y517-K521 HydrophobicContact CD1-CD 4.23Å; Y517-K521 HydrophobicContact CE1-CD 3.87Å; Y517-K521 VanDerWaalsContact O-CD 3.31Å; Y517-K521 WeakPolarHBondContact O-CD 3.34Å; Y517-K521 WeakPolarHBondContact O-CE 3.35Å; Y517-K521 PolarHBondContact OH-NZ 2.68Å |
| 518 | W | 96.1 | Very high | 94.4 | Very high | 60 Ų | 60 | 54.4 Ų | 54.4 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -81 | -18.4 | -178.3 | -63 | 109 | 0 | 0 | 0 | 113.3 | V206 Y216 D515 F516 R520 K521 P524 F529 | V206-W518 HydrophobicContact CG1-CB 4.12Å; Y216-W518 WeakPolarHBondContact CB-O 3.49Å; Y216-W518 HydrophobicContact CD1-CB 3.85Å; Y216-W518 HydrophobicContact CD2-CB 3.75Å; Y216-W518 WeakPolarHBondContact CD2-O 3.47Å; Y216-W518 HydrophobicContact CE1-CB 3.92Å; Y216-W518 HydrophobicContact CE1-CG 4.24Å; Y216-W518 HydrophobicContact CE2-CB 3.78Å; Y216-W518 HydrophobicContact CE2-CD2 4.13Å; Y216-W518 AromaticContact CE2-CE3 3.69Å; Y216-W518 HydrophobicContact CE2-CE3 3.69Å; Y216-W518 HydrophobicContact CE2-CG 4.21Å; Y216-W518 HydrophobicContact CG-CB 3.78Å; Y216-W518 AromaticContact CZ-CD2 3.99Å; Y216-W518 AromaticContact CZ-CE3 3.88Å; Y216-W518 AromaticContact CZ-CG 4Å; D515-W518 WeakPolarHBondContact O-CB 3.46Å; D515-W518 PolarHBondContact O-N 2.84Å; D515-W518 VanDerWaalsContact O-N 3.1Å; F516-W518 PolarHBondContact O-N 3.34Å; F516-W518 VanDerWaalsContact O-N 3.09Å; W518-R520 PolarHBondContact O-N 2.86Å; W518-K521 HydrophobicContact CE3-CB 4.49Å; W518-K521 HydrophobicContact CE3-CD 4.27Å; W518-K521 WeakPolarHBondContact O-CB 3.39Å; W518-K521 PolarHBondContact O-N 3.26Å; W518-P524 HydrophobicContact CZ3-CG 4.47Å; W518-F529 HydrophobicContact CH2-CE1 4.02Å; W518-F529 HydrophobicContact CH2-CE2 4.12Å; W518-F529 AromaticContact CH2-CZ 3.58Å; W518-F529 HydrophobicContact CH2-CZ 3.58Å; W518-F529 HydrophobicContact CZ2-CE1 4.08Å; W518-F529 HydrophobicContact CZ2-CE2 4.43Å; W518-F529 HydrophobicContact CZ2-CZ 4Å |
| 519 | L | 96.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 132.3 | 178.3 | -168 | 60.9 | 0 | 0 | 0 | 109 | V206 L218 L328 I331 F516 K521 | V206-L519 HydrophobicContact CG1-CB 4.28Å; V206-L519 HydrophobicContact CG1-CD1 4.49Å; V206-L519 HydrophobicContact CG2-CB 4.22Å; L218-L519 HydrophobicContact CD1-CD2 4.3Å; L218-L519 HydrophobicContact CD2-CD2 4.12Å; L218-L519 HydrophobicContact CG-CD1 4.37Å; L218-L519 HydrophobicContact CG-CD2 4.06Å; L328-L519 HydrophobicContact CD1-CB 4.09Å; L328-L519 HydrophobicContact CD1-CD2 4.03Å; L328-L519 HydrophobicContact CD2-CB 4.08Å; L328-L519 HydrophobicContact CD2-CD2 3.76Å; L328-L519 HydrophobicContact CD2-CG 3.92Å; I331-L519 HydrophobicContact CD1-CD2 4.14Å; F516-L519 WeakPolarHBondContact O-CB 3.19Å; F516-L519 PolarHBondContact O-N 3.27Å; L519-K521 VanDerWaalsContact C-N 3.28Å; L519-K521 PolarHBondContact O-N 2.88Å |
| 520 | R | 95.3 | Very high | 94 | Very high | 132 Ų | 132 | 49.1 Ų | 49.1 | 50% | 0.498 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 5 | -171 | -46.8 | -59.2 | -175 | -112 | -4.3 | 116.3 | L328 E335 W518 | L328-R520 HydrophobicContact CD2-CG 3.78Å; E335-R520 IonicContact OE1-CZ 3.16Å; E335-R520 IonicContact OE1-NH1 2.68Å; E335-R520 PolarHBondContact OE1-NH1 3.24Å; E335-R520 IonicContact OE1-NH2 2.76Å; E335-R520 PolarHBondContact OE1-NH2 3.44Å; E335-R520 VanDerWaalsContact OE1-NH2 3.11Å; E335-R520 IonicContact OE2-CZ 3.97Å; E335-R520 IonicContact OE2-NH1 3.95Å; E335-R520 IonicContact OE2-NH2 3.18Å; E335-R520 PolarHBondContact OE2-NH2 2.89Å; W518-R520 PolarHBondContact O-N 2.86Å |
| 521 | K | 95.6 | Very high | 93.9 | Very high | 73 Ų | 73 | 47.4 Ų | 47.4 | 32% | 0.317 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -96.5 | 162.3 | 169.1 | -57.3 | -164.6 | 178.5 | -142.2 | 0 | 111.2 | Y216 Y517 W518 L519 | Y216-K521 HydrophobicContact CD2-CB 4.45Å; Y216-K521 WeakPolarHBondContact CD2-O 3.5Å; Y517-K521 HydrophobicContact CD1-CD 4.23Å; Y517-K521 HydrophobicContact CE1-CD 3.87Å; Y517-K521 VanDerWaalsContact O-CD 3.31Å; Y517-K521 WeakPolarHBondContact O-CD 3.34Å; Y517-K521 WeakPolarHBondContact O-CE 3.35Å; Y517-K521 PolarHBondContact OH-NZ 2.68Å; W518-K521 HydrophobicContact CE3-CB 4.49Å; W518-K521 HydrophobicContact CE3-CD 4.27Å; W518-K521 WeakPolarHBondContact O-CB 3.39Å; W518-K521 PolarHBondContact O-N 3.26Å; L519-K521 VanDerWaalsContact C-N 3.28Å; L519-K521 PolarHBondContact O-N 2.88Å |
| 522 | E | 95.9 | Very high | 94 | Very high | 156 Ų | 156 | 45.2 Ų | 45.2 | 73% | 0.729 | 22% | 0.215 | S | C | * | . | B | Isolated β-bridge | trans | -81.7 | 146.4 | 167.3 | -65 | -171.4 | 166.4 | 0 | 0 | 110.4 | N214 P524 | N214-E522 WeakPolarHBondContact O-CA 3.24Å; E522-P524 WeakPolarHBondContact O-CD 3.46Å |
| 523 | V | 95.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 7% | 0.073 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 117.5 | 174.3 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | A208 S213 N214 Y216 K525 T543 | A208-V523 HydrophobicContact CB-CG2 3.92Å; S213-V523 WeakPolarHBondContact O-CB 3.42Å; S213-V523 WeakPolarHBondContact O-CG2 3.39Å; N214-V523 PolarHBondContact O-N 3.44Å; Y216-V523 HydrophobicContact CD1-CG2 4.23Å; Y216-V523 HydrophobicContact CD2-CG2 3.85Å; Y216-V523 HydrophobicContact CE1-CG2 4.02Å; Y216-V523 HydrophobicContact CE2-CB 4.2Å; Y216-V523 HydrophobicContact CE2-CG2 3.65Å; Y216-V523 HydrophobicContact CG-CG2 4.14Å; V523-K525 HydrophobicContact CG1-CD 4.4Å; V523-K525 PolarHBondContact O-N 3.3Å; V523-T543 HydrophobicContact CG1-CG2 4.11Å |
| 524 | P | 92.5 | Very high | 94.1 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 24% | 0.24 | 22% | 0.223 | C | C | . | . | trans | -75.6 | 93.3 | -178.6 | 33.3 | -37.3 | 0 | 0 | 0 | 110.1 | W518 E522 T526 E527 F529 | W518-P524 HydrophobicContact CZ3-CG 4.47Å; E522-P524 WeakPolarHBondContact O-CD 3.46Å; P524-T526 PolarHBondContact O-N 3.09Å; P524-T526 VanDerWaalsContact O-N 3.13Å; P524-E527 HydrophobicContact CB-CB 3.87Å; P524-E527 HydrophobicContact CB-CG 3.98Å; P524-E527 HydrophobicContact CG-CB 4.04Å; P524-E527 PolarHBondContact O-N 3.48Å; P524-E527 VanDerWaalsContact O-N 3.14Å; P524-F529 HydrophobicContact CG-CE2 3.64Å; P524-F529 HydrophobicContact CG-CZ 4.1Å | ||
| 525 | K | 88.5 | Confident | 94.2 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19 | -174.2 | -65.5 | -65.7 | -169.4 | 162.9 | 0 | 114.6 | S213 V523 S542 T543 Q545 N594 | S213-K525 VanDerWaalsContact CB-NZ 3.29Å; S213-K525 VanDerWaalsContact O-CE 3.25Å; S213-K525 WeakPolarHBondContact O-CE 3.45Å; S213-K525 PolarHBondContact O-NZ 2.81Å; S213-K525 PolarHBondContact OG-NZ 3.41Å; V523-K525 HydrophobicContact CG1-CD 4.4Å; V523-K525 PolarHBondContact O-N 3.3Å; K525-S542 PolarHBondContact NZ-O 2.77Å; K525-T543 HydrophobicContact CD-CG2 4.4Å; K525-Q545 PolarHBondContact O-NE2 3.49Å; K525-N594 PolarHBondContact NZ-O 2.81Å |
| 526 | T | 88.5 | Confident | 94.2 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 53% | 0.528 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -16.1 | 178.8 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | M471 K473 P524 | M471-T526 HydrophobicContact CE-CG2 4.34Å; K473-T526 WeakPolarHBondContact CE-O 3.26Å; K473-T526 PolarHBondContact NZ-O 3Å; P524-T526 PolarHBondContact O-N 3.09Å; P524-T526 VanDerWaalsContact O-N 3.13Å |
| 527 | E | 89.2 | Confident | 94.2 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 23% | 0.227 | S | C | . | . | trans | -88.8 | 165.3 | 176.6 | -64.8 | -58.6 | 144.3 | 0 | 0 | 111.1 | P524 F529 Q545 | P524-E527 HydrophobicContact CB-CB 3.87Å; P524-E527 HydrophobicContact CB-CG 3.98Å; P524-E527 HydrophobicContact CG-CB 4.04Å; P524-E527 PolarHBondContact O-N 3.48Å; P524-E527 VanDerWaalsContact O-N 3.14Å; E527-F529 HydrophobicContact CB-CE2 4Å; E527-F529 HydrophobicContact CB-CZ 4.13Å; E527-Q545 PolarHBondContact O-NE2 3.36Å; E527-Q545 PolarHBondContact O-OE1 3.03Å | ||
| 528 | W | 91.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | trans | -144.7 | 146 | 175 | 67.8 | -54.3 | 0 | 0 | 0 | 111.4 | K473 Y476 P477 R547 | K473-W528 HydrophobicContact CB-CB 4.38Å; K473-W528 HydrophobicContact CB-CD2 3.49Å; K473-W528 VanDerWaalsContact CB-CD2 3.49Å; K473-W528 HydrophobicContact CB-CE3 3.76Å; K473-W528 HydrophobicContact CB-CG 3.8Å; K473-W528 HydrophobicContact CB-CH2 4.26Å; K473-W528 HydrophobicContact CB-CZ2 4.02Å; K473-W528 HydrophobicContact CB-CZ3 4.15Å; K473-W528 HydrophobicContact CD-CB 4.42Å; K473-W528 HydrophobicContact CD-CG 4.04Å; K473-W528 HydrophobicContact CG-CB 3.98Å; K473-W528 HydrophobicContact CG-CD2 4.06Å; K473-W528 HydrophobicContact CG-CG 3.8Å; Y476-W528 VanDerWaalsContact CA-CZ2 3.44Å; Y476-W528 VanDerWaalsContact N-CZ2 3.31Å; Y476-W528 WeakPolarHBondContact O-CZ2 3.36Å; P477-W528 VanDerWaalsContact CA-NE1 3.29Å; P477-W528 HydrophobicContact CB-CG 4.46Å; P477-W528 WeakPolarHBondContact CB-O 3.49Å; W528-R547 HydrophobicContact CE3-CB 3.81Å; W528-R547 HydrophobicContact CE3-CG 3.76Å; W528-R547 HydrophobicContact CZ3-CB 3.88Å; W528-R547 HydrophobicContact CZ3-CG 4.34Å | ||
| 529 | F | 89.3 | Confident | 94.3 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 25% | 0.25 | 22% | 0.22 | C | C | . | . | trans | -128 | 84.6 | -171.7 | -62.5 | -80.4 | 0 | 0 | 0 | 107.8 | Y414 F479 W518 P524 E527 | Y414-F529 WeakPolarHBondContact OH-CA 3.09Å; Y414-F529 VanDerWaalsContact OH-CB 3.28Å; Y414-F529 WeakPolarHBondContact OH-CB 3.3Å; F479-F529 AromaticContact CE1-CD1 3.85Å; F479-F529 HydrophobicContact CE1-CD1 3.85Å; F479-F529 AromaticContact CE1-CE1 3.67Å; F479-F529 HydrophobicContact CE1-CE1 3.67Å; F479-F529 HydrophobicContact CE1-CZ 4.5Å; F479-F529 AromaticContact CZ-CD1 3.81Å; F479-F529 HydrophobicContact CZ-CD1 3.81Å; F479-F529 AromaticContact CZ-CE1 3.91Å; F479-F529 HydrophobicContact CZ-CE1 3.91Å; W518-F529 HydrophobicContact CH2-CE1 4.02Å; W518-F529 HydrophobicContact CH2-CE2 4.12Å; W518-F529 AromaticContact CH2-CZ 3.58Å; W518-F529 HydrophobicContact CH2-CZ 3.58Å; W518-F529 HydrophobicContact CZ2-CE1 4.08Å; W518-F529 HydrophobicContact CZ2-CE2 4.43Å; W518-F529 HydrophobicContact CZ2-CZ 4Å; P524-F529 HydrophobicContact CG-CE2 3.64Å; P524-F529 HydrophobicContact CG-CZ 4.1Å; E527-F529 HydrophobicContact CB-CE2 4Å; E527-F529 HydrophobicContact CB-CZ 4.13Å | ||
| 530 | T | 93.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | trans | -142.6 | 136.4 | 177.8 | -56.5 | 0 | 0 | 0 | 0 | 107.7 | P532 F538 P549 | T530-P532 WeakPolarHBondContact O-CD 3.32Å; T530-F538 HydrophobicContact CG2-CD2 4.09Å; T530-F538 HydrophobicContact CG2-CE2 3.81Å; T530-P549 HydrophobicContact CG2-CG 3.58Å | ||
| 531 | S | 95.2 | Very high | 94.3 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | trans | -62.4 | 126.9 | 179 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | P413 T533 T534 P549 | P413-S531 PolarHBondContact O-OG 3.27Å; S531-T533 PolarHBondContact O-N 2.94Å; S531-T533 VanDerWaalsContact O-N 3.16Å; S531-T533 PolarHBondContact OG-OG1 3.4Å; S531-T534 WeakPolarHBondContact O-CB 3.34Å; S531-T534 PolarHBondContact O-N 3.32Å; S531-T534 VanDerWaalsContact O-N 3.15Å; S531-T534 PolarHBondContact O-OG1 3.24Å; S531-P549 WeakPolarHBondContact O-CB 3.47Å | ||
| 532 | P | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.8 | 177.8 | -25.8 | 33.9 | 0 | 0 | 0 | 114 | V421 I480 T530 T534 A550 G551 | V421-P532 HydrophobicContact CG2-CB 3.8Å; V421-P532 HydrophobicContact CG2-CG 4.45Å; I480-P532 HydrophobicContact CD1-CG 3.55Å; T530-P532 WeakPolarHBondContact O-CD 3.32Å; P532-T534 VanDerWaalsContact C-N 3.3Å; P532-A550 HydrophobicContact CB-CB 4.4Å; P532-A550 CarbonylContact O-C 3.37Å; P532-A550 PolarHBondContact O-N 3.06Å; P532-A550 VanDerWaalsContact O-N 3.09Å; P532-G551 PolarHBondContact O-N 3.45Å |
| 533 | T | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -9 | -179.2 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | V109 L113 E409 V416 F420 S531 V535 | V109-T533 HydrophobicContact CG1-CG2 4.5Å; L113-T533 HydrophobicContact CD1-CG2 3.89Å; L113-T533 HydrophobicContact CD2-CG2 3.87Å; L113-T533 HydrophobicContact CG-CG2 4.32Å; E409-T533 WeakPolarHBondContact OE1-CB 3.4Å; E409-T533 PolarHBondContact OE1-OG1 3.02Å; V416-T533 HydrophobicContact CG2-CG2 4.36Å; F420-T533 HydrophobicContact CB-CG2 3.68Å; F420-T533 HydrophobicContact CD1-CG2 4.42Å; F420-T533 HydrophobicContact CD2-CG2 4.36Å; F420-T533 HydrophobicContact CG-CG2 3.92Å; S531-T533 PolarHBondContact O-N 2.94Å; S531-T533 VanDerWaalsContact O-N 3.16Å; S531-T533 PolarHBondContact OG-OG1 3.4Å; T533-V535 PolarHBondContact O-N 3.14Å |
| 534 | T | 96.9 | Very high | 94.2 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 20% | 0.202 | 17% | 0.171 | C | C | . | . | trans | -62.6 | 132.7 | 179.7 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | S531 P532 N536 F538 P549 G551 E552 | S531-T534 WeakPolarHBondContact O-CB 3.34Å; S531-T534 PolarHBondContact O-N 3.32Å; S531-T534 VanDerWaalsContact O-N 3.15Å; S531-T534 PolarHBondContact O-OG1 3.24Å; P532-T534 VanDerWaalsContact C-N 3.3Å; T534-N536 HydrophobicContact CG2-CB 3.79Å; T534-F538 HydrophobicContact CG2-CE2 3.82Å; T534-F538 HydrophobicContact CG2-CZ 3.83Å; T534-P549 HydrophobicContact CG2-CG 4.5Å; T534-P549 WeakPolarHBondContact O-CB 3.42Å; T534-G551 WeakPolarHBondContact O-CA 3.3Å; T534-E552 PolarHBondContact O-N 3.32Å | ||
| 535 | V | 96.7 | Very high | 94.3 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 12% | 0.115 | 16% | 0.16 | C | C | . | . | trans | -99.9 | 77.5 | 171.5 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | Y102 L105 R106 V109 T533 E552 | Y102-V535 HydrophobicContact CD1-CG1 4.22Å; L105-V535 HydrophobicContact CB-CG1 4Å; L105-V535 HydrophobicContact CD2-CG1 3.65Å; L105-V535 HydrophobicContact CG-CG1 3.74Å; L105-V535 HydrophobicContact CG-CG2 4.13Å; R106-V535 HydrophobicContact CB-CB 4.38Å; R106-V535 HydrophobicContact CB-CG2 4.33Å; V109-V535 HydrophobicContact CB-CG2 4.38Å; V109-V535 HydrophobicContact CG2-CG2 3.76Å; T533-V535 PolarHBondContact O-N 3.14Å; V535-E552 VanDerWaalsContact CA-OE2 3.28Å; V535-E552 WeakPolarHBondContact CA-OE2 3.28Å; V535-E552 WeakPolarHBondContact CG1-OE2 3.39Å | ||
| 536 | N | 95.8 | Very high | 94.7 | Very high | 64 Ų | 64 | 27.1 Ų | 27.1 | 34% | 0.342 | 15% | 0.148 | S | C | . | . | trans | -167.5 | 173.4 | 175.4 | -153.9 | -12.1 | 0 | 0 | 0 | 109.8 | T534 F538 P549 E552 | T534-N536 HydrophobicContact CG2-CB 3.79Å; N536-F538 HydrophobicContact CB-CE1 4.24Å; N536-F538 HydrophobicContact CB-CE2 3.99Å; N536-F538 HydrophobicContact CB-CZ 3.63Å; N536-P549 WeakPolarHBondContact O-CD 3.47Å; N536-E552 WeakPolarHBondContact CA-OE2 3.27Å; N536-E552 PolarHBondContact N-OE2 2.77Å | ||
| 537 | A | 96.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.033 | 13% | 0.129 | C | C | . | . | trans | -126.6 | 161.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R547 F548 I575 E579 | A537-R547 WeakPolarHBondContact CA-O 3.47Å; A537-F548 HydrophobicContact CB-CD1 3.65Å; A537-F548 HydrophobicContact CB-CE1 3.81Å; A537-I575 HydrophobicContact CB-CG2 3.55Å; A537-E579 HydrophobicContact CB-CG 3.66Å | ||
| 538 | F | 96.8 | Very high | 95.5 | Very high | 75 Ų | 75 | 21.3 Ų | 21.3 | 33% | 0.329 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 141 | -174.9 | -50.1 | -84.6 | 0 | 0 | 0 | 114.1 | T530 T534 N536 I546 R547 P549 E579 | T530-F538 HydrophobicContact CG2-CD2 4.09Å; T530-F538 HydrophobicContact CG2-CE2 3.81Å; T534-F538 HydrophobicContact CG2-CE2 3.82Å; T534-F538 HydrophobicContact CG2-CZ 3.83Å; N536-F538 HydrophobicContact CB-CE1 4.24Å; N536-F538 HydrophobicContact CB-CE2 3.99Å; N536-F538 HydrophobicContact CB-CZ 3.63Å; F538-I546 CarbonylContact O-C 3.52Å; F538-I546 VanDerWaalsContact O-CA 3.31Å; F538-I546 WeakPolarHBondContact O-CA 3.41Å; F538-R547 HydrophobicContact CB-CB 4.47Å; F538-R547 PolarHBondContact N-O 2.92Å; F538-R547 PolarHBondContact O-N 2.89Å; F538-P549 HydrophobicContact CE2-CG 4.37Å; F538-E579 WeakPolarHBondContact CA-OE2 3.16Å; F538-E579 PolarHBondContact N-OE2 3.45Å |
| 539 | Y | 97.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 21 Ų | 21 | 14% | 0.141 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.2 | 159 | 178.3 | -106.5 | 0 | 0 | 0 | 111.8 | K466 A541 N544 Q545 I546 E579 H582 G583 | K466-Y539 WeakPolarHBondContact CE-OH 3.44Å; K466-Y539 PolarHBondContact NZ-OH 2.87Å; Y539-A541 VanDerWaalsContact CE1-CA 3.46Å; Y539-A541 HydrophobicContact CE1-CB 3.81Å; Y539-N544 PolarHBondContact OH-OD1 2.87Å; Y539-Q545 CarbonylContact C-O 3.48Å; Y539-Q545 WeakPolarHBondContact CA-O 3.01Å; Y539-Q545 WeakPolarHBondContact CD2-O 3.48Å; Y539-I546 HydrophobicContact CD2-CG2 3.83Å; Y539-E579 WeakPolarHBondContact CB-O 3.43Å; Y539-E579 PolarHBondContact N-OE2 2.99Å; Y539-H582 VanDerWaalsContact CB-CB 3.5Å; Y539-H582 HydrophobicContact CD1-CB 3.68Å; Y539-H582 HydrophobicContact CG-CB 3.71Å; Y539-G583 WeakPolarHBondContact OH-CA 3.39Å |
| 540 | S | 96 | Very high | 96.1 | Very high | 24 Ų | 24 | 18.4 Ų | 18.4 | 17% | 0.168 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 107.1 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | S542 T543 N544 Q545 | S540-S542 VanDerWaalsContact C-N 3.34Å; S540-S542 PolarHBondContact O-N 3.02Å; S540-T543 VanDerWaalsContact CB-OG1 3.23Å; S540-T543 WeakPolarHBondContact CB-OG1 3.21Å; S540-T543 PolarHBondContact O-N 3.3Å; S540-T543 PolarHBondContact OG-OG1 2.71Å; S540-N544 WeakPolarHBondContact O-CA 3.48Å; S540-N544 PolarHBondContact O-N 3.23Å; S540-Q545 PolarHBondContact N-O 3.12Å; S540-Q545 PolarHBondContact O-N 3.31Å |
| 541 | A | 95.1 | Very high | 96.2 | Very high | 16 Ų | 16 | 17.5 Ų | 17.5 | 13% | 0.132 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -39.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y539 T543 N544 Y591 G595 | Y539-A541 VanDerWaalsContact CE1-CA 3.46Å; Y539-A541 HydrophobicContact CE1-CB 3.81Å; A541-T543 VanDerWaalsContact C-N 3.26Å; A541-T543 PolarHBondContact O-N 2.82Å; A541-N544 PolarHBondContact O-N 3.45Å; A541-Y591 HydrophobicContact CB-CD1 4.13Å; A541-Y591 HydrophobicContact CB-CD2 3.69Å; A541-Y591 HydrophobicContact CB-CE1 4.41Å; A541-Y591 HydrophobicContact CB-CE2 4.01Å; A541-Y591 HydrophobicContact CB-CG 3.75Å; A541-G595 WeakPolarHBondContact O-CA 3.31Å |
| 542 | S | 93.1 | Very high | 96.2 | Very high | 27 Ų | 27 | 16.8 Ų | 16.8 | 19% | 0.189 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.3 | -177.8 | 60.8 | 0 | 0 | 0 | 0 | 114.2 | K525 S540 G595 | K525-S542 PolarHBondContact NZ-O 2.77Å; S540-S542 VanDerWaalsContact C-N 3.34Å; S540-S542 PolarHBondContact O-N 3.02Å; S542-G595 WeakPolarHBondContact CA-O 3.42Å |
| 543 | T | 94.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 16.8 Ų | 16.8 | 10% | 0.098 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -4.7 | 176.7 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | V523 K525 S540 A541 Q545 | V523-T543 HydrophobicContact CG1-CG2 4.11Å; K525-T543 HydrophobicContact CD-CG2 4.4Å; S540-T543 VanDerWaalsContact CB-OG1 3.23Å; S540-T543 WeakPolarHBondContact CB-OG1 3.21Å; S540-T543 PolarHBondContact O-N 3.3Å; S540-T543 PolarHBondContact OG-OG1 2.71Å; A541-T543 VanDerWaalsContact C-N 3.26Å; A541-T543 PolarHBondContact O-N 2.82Å; T543-Q545 VanDerWaalsContact C-N 3.27Å; T543-Q545 PolarHBondContact O-N 3.02Å |
| 544 | N | 96.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.011 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 47.4 | -171.5 | -159.9 | 34.5 | 0 | 0 | 0 | 112.8 | K466 V470 M471 Y539 S540 A541 K593 | K466-N544 WeakPolarHBondContact CE-OD1 3.28Å; K466-N544 PolarHBondContact O-ND2 3.26Å; V470-N544 WeakPolarHBondContact CA-O 3.48Å; V470-N544 PolarHBondContact N-ND2 2.98Å; M471-N544 PolarHBondContact N-O 3.07Å; Y539-N544 PolarHBondContact OH-OD1 2.87Å; S540-N544 WeakPolarHBondContact O-CA 3.48Å; S540-N544 PolarHBondContact O-N 3.23Å; A541-N544 PolarHBondContact O-N 3.45Å; N544-K593 PolarHBondContact ND2-O 2.77Å |
| 545 | Q | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.8 | -176.1 | -72.1 | 175.8 | -2.9 | 0 | 0 | 111.5 | M471 K525 E527 Y539 S540 T543 R547 | M471-Q545 HydrophobicContact CB-CG 4.11Å; M471-Q545 CarbonylContact O-C 3.57Å; M471-Q545 VanDerWaalsContact O-CA 3.25Å; M471-Q545 WeakPolarHBondContact O-CA 3.33Å; K525-Q545 PolarHBondContact O-NE2 3.49Å; E527-Q545 PolarHBondContact O-NE2 3.36Å; E527-Q545 PolarHBondContact O-OE1 3.03Å; Y539-Q545 CarbonylContact C-O 3.48Å; Y539-Q545 WeakPolarHBondContact CA-O 3.01Å; Y539-Q545 WeakPolarHBondContact CD2-O 3.48Å; S540-Q545 PolarHBondContact N-O 3.12Å; S540-Q545 PolarHBondContact O-N 3.31Å; T543-Q545 VanDerWaalsContact C-N 3.27Å; T543-Q545 PolarHBondContact O-N 3.02Å; Q545-R547 VanDerWaalsContact OE1-NE 3.07Å |
| 546 | I | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.6 | 164 | 60.3 | -178.6 | 0 | 0 | 0 | 109.7 | T437 V470 M471 A472 K473 F538 Y539 F548 V576 E579 F580 | T437-I546 HydrophobicContact CG2-CD1 4.15Å; V470-I546 HydrophobicContact CG1-CD1 4.22Å; V470-I546 HydrophobicContact CG1-CG1 4.16Å; V470-I546 HydrophobicContact CG1-CG2 3.97Å; M471-I546 PolarHBondContact O-N 3.26Å; A472-I546 CarbonylContact C-O 3.47Å; A472-I546 WeakPolarHBondContact CA-O 3.11Å; A472-I546 HydrophobicContact CB-CD1 4.09Å; A472-I546 HydrophobicContact CB-CG1 3.84Å; K473-I546 PolarHBondContact N-O 3.19Å; F538-I546 CarbonylContact O-C 3.52Å; F538-I546 VanDerWaalsContact O-CA 3.31Å; F538-I546 WeakPolarHBondContact O-CA 3.41Å; Y539-I546 HydrophobicContact CD2-CG2 3.83Å; I546-F548 HydrophobicContact CB-CE2 4.04Å; I546-F548 HydrophobicContact CB-CZ 4.09Å; I546-F548 HydrophobicContact CD1-CE2 3.73Å; I546-F548 HydrophobicContact CD1-CZ 3.93Å; I546-F548 HydrophobicContact CG1-CE2 3.71Å; I546-F548 HydrophobicContact CG1-CZ 4.13Å; I546-V576 HydrophobicContact CD1-CG1 4.43Å; I546-E579 HydrophobicContact CB-CB 4.02Å; I546-E579 HydrophobicContact CG2-CB 3.68Å; I546-E579 VanDerWaalsContact CG2-O 3.3Å; I546-E579 WeakPolarHBondContact CG2-O 3.31Å; I546-F580 HydrophobicContact CD1-CD2 4.49Å |
| 547 | R | 96.6 | Very high | 95.2 | Very high | 35 Ų | 35 | 16 Ų | 16 | 13% | 0.132 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.3 | -169.1 | -62.4 | 172.9 | -179.4 | 174.3 | 6.4 | 111 | K473 W528 A537 F538 Q545 | K473-R547 HydrophobicContact CB-CG 4.09Å; K473-R547 HydrophobicContact CG-CG 4.38Å; K473-R547 CarbonylContact O-C 3.55Å; K473-R547 WeakPolarHBondContact O-CA 3.49Å; W528-R547 HydrophobicContact CE3-CB 3.81Å; W528-R547 HydrophobicContact CE3-CG 3.76Å; W528-R547 HydrophobicContact CZ3-CB 3.88Å; W528-R547 HydrophobicContact CZ3-CG 4.34Å; A537-R547 WeakPolarHBondContact CA-O 3.47Å; F538-R547 HydrophobicContact CB-CB 4.47Å; F538-R547 PolarHBondContact N-O 2.92Å; F538-R547 PolarHBondContact O-N 2.89Å; Q545-R547 VanDerWaalsContact OE1-NE 3.07Å |
| 548 | F | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 89.1 | -178.9 | -52.7 | -77.7 | 0 | 0 | 0 | 109.9 | M433 K473 V474 G475 A537 I546 L553 I572 I575 V576 E579 | M433-F548 HydrophobicContact CE-CB 4.01Å; M433-F548 HydrophobicContact CE-CD1 4.01Å; M433-F548 HydrophobicContact CE-CD2 3.65Å; M433-F548 HydrophobicContact CE-CE1 4.46Å; M433-F548 HydrophobicContact CE-CE2 4.11Å; M433-F548 HydrophobicContact CE-CG 3.59Å; K473-F548 PolarHBondContact O-N 3.15Å; V474-F548 CarbonylContact C-O 3.49Å; V474-F548 HydrophobicContact CG2-CD2 4.42Å; G475-F548 PolarHBondContact N-O 3.5Å; A537-F548 HydrophobicContact CB-CD1 3.65Å; A537-F548 HydrophobicContact CB-CE1 3.81Å; I546-F548 HydrophobicContact CB-CE2 4.04Å; I546-F548 HydrophobicContact CB-CZ 4.09Å; I546-F548 HydrophobicContact CD1-CE2 3.73Å; I546-F548 HydrophobicContact CD1-CZ 3.93Å; I546-F548 HydrophobicContact CG1-CE2 3.71Å; I546-F548 HydrophobicContact CG1-CZ 4.13Å; F548-L553 HydrophobicContact CB-CD2 4.35Å; F548-I572 HydrophobicContact CD1-CD1 4.49Å; F548-I575 HydrophobicContact CD1-CG2 4.49Å; F548-I575 HydrophobicContact CE1-CG2 4.16Å; F548-V576 HydrophobicContact CD1-CG2 4.5Å; F548-V576 HydrophobicContact CE1-CB 4.41Å; F548-V576 HydrophobicContact CE1-CG2 3.83Å; F548-V576 HydrophobicContact CE2-CG2 4.12Å; F548-V576 HydrophobicContact CZ-CB 4.03Å; F548-V576 HydrophobicContact CZ-CG1 4.17Å; F548-V576 HydrophobicContact CZ-CG2 3.63Å; F548-E579 HydrophobicContact CE1-CB 4.38Å; F548-E579 HydrophobicContact CE1-CG 3.9Å; F548-E579 HydrophobicContact CZ-CB 4.21Å; F548-E579 HydrophobicContact CZ-CG 4.23Å |
| 549 | P | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 153.2 | 177.5 | -20.6 | 33.9 | 0 | 0 | 0 | 113.2 | G475 T530 S531 T534 N536 F538 G551 E552 | G475-P549 CarbonylContact O-C 3.56Å; G475-P549 WeakPolarHBondContact O-CA 3.41Å; T530-P549 HydrophobicContact CG2-CG 3.58Å; S531-P549 WeakPolarHBondContact O-CB 3.47Å; T534-P549 HydrophobicContact CG2-CG 4.5Å; T534-P549 WeakPolarHBondContact O-CB 3.42Å; N536-P549 WeakPolarHBondContact O-CD 3.47Å; F538-P549 HydrophobicContact CE2-CG 4.37Å; P549-G551 PolarHBondContact O-N 2.9Å; P549-G551 VanDerWaalsContact O-N 3.16Å; P549-E552 PolarHBondContact O-N 3.32Å |
| 550 | A | 96.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F420 V421 F425 G475 P532 E552 L553 | F420-A550 HydrophobicContact CD1-CB 4.35Å; F420-A550 HydrophobicContact CE1-CB 4.09Å; V421-A550 HydrophobicContact CG2-CB 4.11Å; F425-A550 HydrophobicContact CB-CB 4.35Å; F425-A550 HydrophobicContact CD2-CB 3.44Å; F425-A550 VanDerWaalsContact CD2-CB 3.44Å; F425-A550 HydrophobicContact CE2-CB 3.92Å; F425-A550 HydrophobicContact CG-CB 3.96Å; G475-A550 WeakPolarHBondContact O-CB 3.38Å; G475-A550 PolarHBondContact O-N 2.91Å; P532-A550 HydrophobicContact CB-CB 4.4Å; P532-A550 CarbonylContact O-C 3.37Å; P532-A550 PolarHBondContact O-N 3.06Å; P532-A550 VanDerWaalsContact O-N 3.09Å; A550-E552 VanDerWaalsContact C-N 3.34Å; A550-E552 PolarHBondContact O-N 2.95Å; A550-L553 PolarHBondContact O-N 3.3Å |
| 551 | G | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -38.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P532 T534 P549 Q554 | P532-G551 PolarHBondContact O-N 3.45Å; T534-G551 WeakPolarHBondContact O-CA 3.3Å; P549-G551 PolarHBondContact O-N 2.9Å; P549-G551 VanDerWaalsContact O-N 3.16Å; G551-Q554 PolarHBondContact O-NE2 3.29Å |
| 552 | E | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -27 | 177.1 | -170.1 | 71 | -172.9 | 0 | 0 | 112.5 | Y102 T534 V535 N536 P549 A550 Q554 F557 | Y102-E552 WeakPolarHBondContact CE1-OE1 3.43Å; Y102-E552 PolarHBondContact OH-OE1 3.33Å; T534-E552 PolarHBondContact O-N 3.32Å; V535-E552 VanDerWaalsContact CA-OE2 3.28Å; V535-E552 WeakPolarHBondContact CA-OE2 3.28Å; V535-E552 WeakPolarHBondContact CG1-OE2 3.39Å; N536-E552 WeakPolarHBondContact CA-OE2 3.27Å; N536-E552 PolarHBondContact N-OE2 2.77Å; P549-E552 PolarHBondContact O-N 3.32Å; A550-E552 VanDerWaalsContact C-N 3.34Å; A550-E552 PolarHBondContact O-N 2.95Å; E552-Q554 PolarHBondContact O-N 3.12Å; E552-F557 VanDerWaalsContact OE1-CD1 3.3Å; E552-F557 WeakPolarHBondContact OE1-CD1 3.43Å |
| 553 | L | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -79.6 | 55.3 | -172.7 | -59.6 | 178.7 | 0 | 0 | 0 | 112.7 | F425 K429 M433 V474 F548 A550 F558 I572 | F425-L553 HydrophobicContact CE2-CB 4.28Å; F425-L553 HydrophobicContact CE2-CD1 3.8Å; F425-L553 HydrophobicContact CZ-CD1 4.25Å; K429-L553 HydrophobicContact CD-CB 4.43Å; K429-L553 PolarHBondContact NZ-O 3.09Å; M433-L553 HydrophobicContact CE-CD2 4.2Å; M433-L553 HydrophobicContact CG-CD1 4.37Å; M433-L553 HydrophobicContact CG-CD2 4.05Å; M433-L553 HydrophobicContact SD-CD2 3.75Å; V474-L553 HydrophobicContact CG1-CD1 3.64Å; F548-L553 HydrophobicContact CB-CD2 4.35Å; A550-L553 PolarHBondContact O-N 3.3Å; L553-F558 HydrophobicContact CD2-CD2 4.18Å; L553-I572 HydrophobicContact CD2-CD1 3.99Å; L553-I572 HydrophobicContact CD2-CG1 4.31Å |
| 554 | Q | 92.4 | Very high | 93.3 | Very high | 19 Ų | 19 | 20 Ų | 20 | 9% | 0.089 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -140.5 | 160.7 | -178 | -61.2 | -178.2 | 82.8 | 0 | 0 | 110.2 | L105 G551 E552 F557 F558 | L105-Q554 HydrophobicContact CD1-CB 3.85Å; L105-Q554 HydrophobicContact CD2-CB 4.29Å; G551-Q554 PolarHBondContact O-NE2 3.29Å; E552-Q554 PolarHBondContact O-N 3.12Å; Q554-F557 WeakPolarHBondContact O-CA 3.31Å; Q554-F557 WeakPolarHBondContact O-CB 3.04Å; Q554-F557 PolarHBondContact O-N 3.14Å; Q554-F558 CarbonylContact C-O 3.55Å; Q554-F558 PolarHBondContact O-N 2.94Å |
| 555 | K | 90.9 | Very high | 93.3 | Very high | 70 Ų | 70 | 21 Ų | 21 | 30% | 0.304 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 144.4 | 173.8 | -67.8 | 176.1 | -180 | 173.6 | 0 | 110.6 | E59 F558 W559 Y563 | E59-K555 VanDerWaalsContact CD-NZ 3.25Å; E59-K555 IonicContact OE1-NZ 3.72Å; E59-K555 PolarHBondContact OE1-NZ 3.16Å; E59-K555 IonicContact OE2-NZ 2.72Å; E59-K555 PolarHBondContact OE2-NZ 3.44Å; E59-K555 VanDerWaalsContact OE2-NZ 3.12Å; K555-F558 WeakPolarHBondContact CG-O 3.03Å; K555-F558 PolarHBondContact N-O 3.49Å; K555-W559 HydrophobicContact CD-CE3 4.28Å; K555-W559 HydrophobicContact CD-CZ3 4.42Å; K555-W559 HydrophobicContact CG-CE3 4.24Å; K555-Y563 VanDerWaalsContact CE-CZ 3.49Å; K555-Y563 WeakPolarHBondContact CE-OH 3.37Å; K555-Y563 VanDerWaalsContact NZ-CZ 3.31Å; K555-Y563 PolarHBondContact NZ-OH 2.93Å |
| 556 | P | 91.3 | Very high | 93.3 | Very high | 12 Ų | 12 | 21 Ų | 21 | 8% | 0.078 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.1 | 11.3 | 1.6 | 37.7 | -37.1 | 0 | 0 | 0 | 114.3 | V101 W559 | V101-P556 HydrophobicContact CG1-CG 3.38Å; P556-W559 HydrophobicContact CB-CH2 4.32Å; P556-W559 HydrophobicContact CB-CZ2 3.67Å; P556-W559 PolarHBondContact O-NE1 3.37Å |
| 557 | F | 92.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -45.2 | 178.5 | -62.4 | -86.2 | 0 | 0 | 0 | 110.8 | V101 Y102 L105 E552 Q554 A571 I572 I575 V689 | V101-F557 HydrophobicContact CG1-CE2 3.75Å; V101-F557 HydrophobicContact CG1-CZ 3.8Å; Y102-F557 HydrophobicContact CD1-CE1 4.24Å; Y102-F557 AromaticContact CD1-CZ 3.77Å; Y102-F557 HydrophobicContact CD1-CZ 3.77Å; Y102-F557 HydrophobicContact CD2-CE1 4.01Å; Y102-F557 AromaticContact CD2-CZ 3.72Å; Y102-F557 HydrophobicContact CD2-CZ 3.72Å; Y102-F557 AromaticContact CE1-CE1 3.69Å; Y102-F557 HydrophobicContact CE1-CE1 3.69Å; Y102-F557 AromaticContact CE1-CZ 3.69Å; Y102-F557 HydrophobicContact CE1-CZ 3.69Å; Y102-F557 AromaticContact CE2-CE1 3.45Å; Y102-F557 HydrophobicContact CE2-CE1 3.45Å; Y102-F557 VanDerWaalsContact CE2-CE1 3.45Å; Y102-F557 AromaticContact CE2-CZ 3.66Å; Y102-F557 HydrophobicContact CE2-CZ 3.66Å; Y102-F557 HydrophobicContact CG-CE1 4.37Å; Y102-F557 AromaticContact CG-CZ 3.76Å; Y102-F557 HydrophobicContact CG-CZ 3.76Å; Y102-F557 AromaticContact CZ-CE1 3.24Å; Y102-F557 AromaticContact CZ-CZ 3.63Å; Y102-F557 WeakPolarHBondContact OH-CE1 3.45Å; L105-F557 HydrophobicContact CB-CE2 4.12Å; L105-F557 HydrophobicContact CD2-CD2 3.37Å; L105-F557 HydrophobicContact CD2-CE2 3.57Å; L105-F557 HydrophobicContact CD2-CG 4.5Å; L105-F557 HydrophobicContact CG-CE2 4.48Å; E552-F557 VanDerWaalsContact OE1-CD1 3.3Å; E552-F557 WeakPolarHBondContact OE1-CD1 3.43Å; Q554-F557 WeakPolarHBondContact O-CA 3.31Å; Q554-F557 WeakPolarHBondContact O-CB 3.04Å; Q554-F557 PolarHBondContact O-N 3.14Å; F557-A571 VanDerWaalsContact O-CB 3.23Å; F557-A571 WeakPolarHBondContact O-CB 3.44Å; F557-I572 WeakPolarHBondContact O-CB 3.3Å; F557-I572 WeakPolarHBondContact O-CG2 3.28Å; F557-I572 PolarHBondContact O-N 3.25Å; F557-I575 HydrophobicContact CD1-CD1 3.56Å; F557-I575 HydrophobicContact CE1-CD1 4.17Å; F557-V689 HydrophobicContact CD1-CB 3.81Å; F557-V689 HydrophobicContact CD1-CG1 3.63Å; F557-V689 HydrophobicContact CE1-CB 3.52Å; F557-V689 HydrophobicContact CE1-CG1 3.83Å; F557-V689 HydrophobicContact CE1-CG2 4.47Å; F557-V689 HydrophobicContact CG-CG1 4.24Å; F557-V689 HydrophobicContact CZ-CB 4.28Å |
| 558 | F | 91.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 19.4 Ų | 19.4 | 5% | 0.048 | 10% | 0.098 | C | C | . | . | trans | -116.6 | 114.1 | 178.6 | -172.2 | -84.3 | 0 | 0 | 0 | 110.5 | K429 M432 M433 L553 Q554 K555 I572 | K429-F558 HydrophobicContact CB-CE1 4.18Å; K429-F558 HydrophobicContact CB-CZ 3.93Å; K429-F558 HydrophobicContact CD-CD1 4.33Å; K429-F558 HydrophobicContact CD-CE1 4.08Å; K429-F558 HydrophobicContact CG-CD1 4.45Å; K429-F558 HydrophobicContact CG-CE1 3.72Å; K429-F558 HydrophobicContact CG-CZ 3.98Å; M432-F558 HydrophobicContact CB-CE2 4.21Å; M432-F558 HydrophobicContact CB-CZ 3.99Å; M432-F558 HydrophobicContact CE-CE2 4.18Å; M432-F558 HydrophobicContact CE-CZ 4.33Å; M432-F558 HydrophobicContact CG-CE2 3.91Å; M432-F558 HydrophobicContact CG-CZ 3.94Å; M432-F558 HydrophobicContact SD-CE1 4.15Å; M432-F558 HydrophobicContact SD-CE2 3.71Å; M432-F558 HydrophobicContact SD-CZ 3.39Å; M432-F558 WeakPolarHBondContact SD-CZ 3.31Å; M433-F558 HydrophobicContact CG-CE2 4.08Å; M433-F558 HydrophobicContact SD-CD2 4.12Å; M433-F558 HydrophobicContact SD-CE2 4.08Å; L553-F558 HydrophobicContact CD2-CD2 4.18Å; Q554-F558 CarbonylContact C-O 3.55Å; Q554-F558 PolarHBondContact O-N 2.94Å; K555-F558 WeakPolarHBondContact CG-O 3.03Å; K555-F558 PolarHBondContact N-O 3.49Å; F558-I572 HydrophobicContact CD2-CG1 4.41Å; F558-I572 HydrophobicContact CD2-CG2 4.09Å | ||
| 559 | W | 87.2 | Confident | 93.3 | Very high | 18 Ų | 18 | 19.6 Ų | 19.6 | 7% | 0.068 | 10% | 0.099 | C | C | . | . | trans | -91.9 | -24.4 | -178 | -64.5 | 87.1 | 0 | 0 | 0 | 113.3 | A60 A63 K555 P556 Y563 L567 | A60-W559 HydrophobicContact CB-CZ3 4.45Å; A63-W559 HydrophobicContact CB-CH2 4.29Å; K555-W559 HydrophobicContact CD-CE3 4.28Å; K555-W559 HydrophobicContact CD-CZ3 4.42Å; K555-W559 HydrophobicContact CG-CE3 4.24Å; P556-W559 HydrophobicContact CB-CH2 4.32Å; P556-W559 HydrophobicContact CB-CZ2 3.67Å; P556-W559 PolarHBondContact O-NE1 3.37Å; W559-Y563 HydrophobicContact CB-CD1 4.34Å; W559-Y563 HydrophobicContact CB-CD2 4.33Å; W559-Y563 HydrophobicContact CB-CG 3.86Å; W559-Y563 HydrophobicContact CD2-CD1 4.44Å; W559-Y563 AromaticContact CE3-CD1 3.58Å; W559-Y563 HydrophobicContact CE3-CD1 3.58Å; W559-Y563 AromaticContact CE3-CE1 3.84Å; W559-Y563 HydrophobicContact CE3-CE1 3.84Å; W559-Y563 HydrophobicContact CE3-CG 4.26Å; W559-Y563 HydrophobicContact CZ3-CD1 4.31Å; W559-Y563 HydrophobicContact CZ3-CE1 4.27Å; W559-Y563 WeakPolarHBondContact O-CD2 3.37Å; W559-Y563 WeakPolarHBondContact O-CE2 3.38Å; W559-L567 HydrophobicContact CD2-CB 4.43Å; W559-L567 HydrophobicContact CD2-CD1 4.39Å; W559-L567 HydrophobicContact CG-CB 4.11Å | ||
| 560 | G | 85.4 | Confident | 93.3 | Very high | 15 Ų | 15 | 19.6 Ų | 19.6 | 16% | 0.155 | 10% | 0.099 | C | C | . | . | trans | 91.1 | -176.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 561 | T | 86.5 | Confident | 93.3 | Very high | 77 Ų | 77 | 19.5 Ų | 19.5 | 47% | 0.472 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -80.5 | -26.1 | -175 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | M432 Y563 | M432-T561 HydrophobicContact SD-CG2 4.19Å; T561-Y563 PolarHBondContact O-N 3.49Å |
| 562 | E | 90.2 | Very high | 93.4 | Very high | 128 Ų | 128 | 19.5 Ų | 19.5 | 60% | 0.598 | 10% | 0.098 | S | C | * | . | S | Bend | trans | -78.8 | -6.7 | -178.2 | -54.3 | -48.1 | 118.6 | 0 | 0 | 113.6 | E56 | E56-E562 WeakPolarHBondContact CB-O 3.19Å; E56-E562 HydrophobicContact CG-CB 3.79Å |
| 563 | Y | 94 | Very high | 93.5 | Very high | 23 Ų | 23 | 19.5 Ų | 19.5 | 9% | 0.09 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -102.5 | 154.2 | 178.7 | -69.7 | -102.3 | 0 | 0 | 0 | 110 | E56 E59 A60 K555 W559 T561 R565 | E56-Y563 HydrophobicContact CB-CD1 4.05Å; E56-Y563 HydrophobicContact CB-CD2 4.08Å; E56-Y563 HydrophobicContact CB-CE1 3.74Å; E56-Y563 HydrophobicContact CB-CE2 3.75Å; E56-Y563 HydrophobicContact CB-CG 4.19Å; E56-Y563 HydrophobicContact CG-CD2 4.13Å; E56-Y563 HydrophobicContact CG-CE1 4.33Å; E56-Y563 HydrophobicContact CG-CE2 3.51Å; E56-Y563 VanDerWaalsContact O-CE1 3.24Å; E56-Y563 WeakPolarHBondContact O-CE1 3.46Å; E59-Y563 PolarHBondContact OE2-OH 3.23Å; A60-Y563 HydrophobicContact CB-CD1 4.1Å; A60-Y563 HydrophobicContact CB-CE1 4.4Å; K555-Y563 VanDerWaalsContact CE-CZ 3.49Å; K555-Y563 WeakPolarHBondContact CE-OH 3.37Å; K555-Y563 VanDerWaalsContact NZ-CZ 3.31Å; K555-Y563 PolarHBondContact NZ-OH 2.93Å; W559-Y563 HydrophobicContact CB-CD1 4.34Å; W559-Y563 HydrophobicContact CB-CD2 4.33Å; W559-Y563 HydrophobicContact CB-CG 3.86Å; W559-Y563 HydrophobicContact CD2-CD1 4.44Å; W559-Y563 AromaticContact CE3-CD1 3.58Å; W559-Y563 HydrophobicContact CE3-CD1 3.58Å; W559-Y563 AromaticContact CE3-CE1 3.84Å; W559-Y563 HydrophobicContact CE3-CE1 3.84Å; W559-Y563 HydrophobicContact CE3-CG 4.26Å; W559-Y563 HydrophobicContact CZ3-CD1 4.31Å; W559-Y563 HydrophobicContact CZ3-CE1 4.27Å; W559-Y563 WeakPolarHBondContact O-CD2 3.37Å; W559-Y563 WeakPolarHBondContact O-CE2 3.38Å; T561-Y563 PolarHBondContact O-N 3.49Å; Y563-R565 PolarHBondContact O-N 3.45Å |
| 564 | P | 95.2 | Very high | 93.7 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 5% | 0.052 | 10% | 0.098 | C | C | . | . | trans | -52.1 | 131.5 | 174.7 | -26.3 | 33.7 | 0 | 0 | 0 | 112.4 | S566 L567 E668 L671 | P564-S566 VanDerWaalsContact C-N 3.27Å; P564-S566 PolarHBondContact O-N 3.32Å; P564-L567 HydrophobicContact CB-CG 4.43Å; P564-L567 WeakPolarHBondContact O-CB 3.44Å; P564-L567 PolarHBondContact O-N 3.2Å; P564-L567 VanDerWaalsContact O-N 3.08Å; P564-E668 VanDerWaalsContact CA-OE1 3.24Å; P564-E668 WeakPolarHBondContact CA-OE1 3.47Å; P564-L671 HydrophobicContact CG-CD2 3.82Å; P564-L671 HydrophobicContact CG-CG 4.48Å | ||
| 565 | R | 95 | Very high | 93.9 | Very high | 24 Ų | 24 | 18.9 Ų | 18.9 | 9% | 0.091 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.3 | -33.5 | -176.6 | -71.3 | -52.8 | -152.3 | 170 | 11.3 | 112.2 | M432 E435 Y563 L567 S568 Y569 Y655 W658 E668 | M432-R565 PolarHBondContact SD-NH1 3.43Å; E435-R565 IonicContact OE1-CZ 3.71Å; E435-R565 IonicContact OE1-NH2 2.74Å; E435-R565 PolarHBondContact OE1-NH2 3.2Å; E435-R565 IonicContact OE2-NH2 3.67Å; Y563-R565 PolarHBondContact O-N 3.45Å; R565-L567 PolarHBondContact O-N 3.41Å; R565-S568 PolarHBondContact O-N 3.13Å; R565-Y569 HydrophobicContact CB-CD2 4.07Å; R565-Y569 HydrophobicContact CB-CE2 4.27Å; R565-Y569 WeakPolarHBondContact O-CD2 3.31Å; R565-Y569 PolarHBondContact O-N 2.95Å; R565-Y655 HydrophobicContact CB-CD2 4.38Å; R565-Y655 HydrophobicContact CB-CE2 4.08Å; R565-W658 HydrophobicContact CB-CD2 4.36Å; R565-W658 HydrophobicContact CB-CE3 3.94Å; R565-W658 HydrophobicContact CB-CH2 4Å; R565-W658 HydrophobicContact CB-CZ2 4.4Å; R565-W658 HydrophobicContact CB-CZ3 3.71Å; R565-W658 HydrophobicContact CG-CD2 4.07Å; R565-W658 HydrophobicContact CG-CE3 3.96Å; R565-W658 HydrophobicContact CG-CH2 3.27Å; R565-W658 HydrophobicContact CG-CZ2 3.39Å; R565-W658 HydrophobicContact CG-CZ3 3.54Å; R565-E668 PolarHBondContact N-OE1 3.07Å; R565-E668 PolarHBondContact N-OE2 2.71Å |
| 566 | S | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -46.7 | -41.4 | 170.3 | 35.5 | 0 | 0 | 0 | 0 | 113.4 | P564 G570 E668 H678 F682 | P564-S566 VanDerWaalsContact C-N 3.27Å; P564-S566 PolarHBondContact O-N 3.32Å; S566-G570 PolarHBondContact O-N 2.86Å; S566-E668 PolarHBondContact N-OE2 3.1Å; S566-E668 VanDerWaalsContact N-OE2 3.1Å; S566-E668 PolarHBondContact OG-OE2 3.44Å; S566-H678 WeakPolarHBondContact CB-O 3.38Å; S566-H678 PolarHBondContact OG-ND1 3.34Å; S566-F682 WeakPolarHBondContact O-CA 3.3Å |
| 567 | L | 96.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.1 | -43.4 | 178.6 | -57.9 | -179.2 | 0 | 0 | 0 | 111.8 | A60 I64 W559 P564 R565 G570 A571 L681 S685 | A60-L567 HydrophobicContact CB-CD1 3.75Å; I64-L567 HydrophobicContact CD1-CD2 3.81Å; W559-L567 HydrophobicContact CD2-CB 4.43Å; W559-L567 HydrophobicContact CD2-CD1 4.39Å; W559-L567 HydrophobicContact CG-CB 4.11Å; P564-L567 HydrophobicContact CB-CG 4.43Å; P564-L567 WeakPolarHBondContact O-CB 3.44Å; P564-L567 PolarHBondContact O-N 3.2Å; P564-L567 VanDerWaalsContact O-N 3.08Å; R565-L567 PolarHBondContact O-N 3.41Å; L567-G570 PolarHBondContact O-N 2.97Å; L567-A571 WeakPolarHBondContact O-CB 3.35Å; L567-A571 PolarHBondContact O-N 3.11Å; L567-L681 HydrophobicContact CD2-CB 4.05Å; L567-S685 WeakPolarHBondContact O-CB 3.46Å; L567-S685 PolarHBondContact O-OG 2.89Å |
| 568 | S | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.4 | -45.7 | 179.5 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | M432 R565 G570 A571 I572 G573 | M432-S568 WeakPolarHBondContact CE-OG 3.3Å; R565-S568 PolarHBondContact O-N 3.13Å; S568-G570 VanDerWaalsContact C-N 3.31Å; S568-G570 PolarHBondContact O-N 2.91Å; S568-A571 CarbonylContact O-C 3.51Å; S568-A571 PolarHBondContact O-N 3Å; S568-I572 WeakPolarHBondContact O-CG2 3.28Å; S568-I572 PolarHBondContact O-N 3.34Å; S568-I572 VanDerWaalsContact O-N 3.11Å; S568-G573 PolarHBondContact O-N 2.87Å |
| 569 | Y | 97.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | I | π-helix | trans | -63.1 | -38.5 | 175.4 | -85.2 | -84.3 | 0 | 0 | 0 | 111.4 | L436 R565 A571 G573 V574 A651 A654 Y655 W658 F682 | L436-Y569 HydrophobicContact CD2-CD1 3.75Å; L436-Y569 HydrophobicContact CD2-CD2 4.11Å; L436-Y569 HydrophobicContact CD2-CE1 3.51Å; L436-Y569 HydrophobicContact CD2-CE2 3.91Å; L436-Y569 HydrophobicContact CD2-CG 4.03Å; R565-Y569 HydrophobicContact CB-CD2 4.07Å; R565-Y569 HydrophobicContact CB-CE2 4.27Å; R565-Y569 WeakPolarHBondContact O-CD2 3.31Å; R565-Y569 PolarHBondContact O-N 2.95Å; Y569-A571 VanDerWaalsContact C-N 3.33Å; Y569-A571 PolarHBondContact O-N 2.79Å; Y569-G573 CarbonylContact O-C 3.52Å; Y569-G573 VanDerWaalsContact O-CA 3.31Å; Y569-G573 WeakPolarHBondContact O-CA 3.4Å; Y569-V574 WeakPolarHBondContact O-CG2 3.47Å; Y569-V574 PolarHBondContact O-N 3Å; Y569-A651 WeakPolarHBondContact CD1-O 3.33Å; Y569-A654 HydrophobicContact CD1-CB 4.22Å; Y569-A654 HydrophobicContact CE1-CB 3.7Å; Y569-Y655 AromaticContact CD2-CD2 3.66Å; Y569-Y655 HydrophobicContact CD2-CD2 3.66Å; Y569-Y655 HydrophobicContact CD2-CG 4.28Å; Y569-Y655 HydrophobicContact CE2-CD2 4.25Å; Y569-Y655 HydrophobicContact CG-CD2 4.07Å; Y569-Y655 HydrophobicContact CG-CG 4.24Å; Y569-W658 HydrophobicContact CE2-CB 4.14Å; Y569-W658 HydrophobicContact CE2-CG 4.07Å; Y569-F682 WeakPolarHBondContact O-CE2 3.33Å |
| 570 | G | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | I | π-helix | trans | -72.1 | -21.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S566 L567 S568 V574 F682 Y686 | S566-G570 PolarHBondContact O-N 2.86Å; L567-G570 PolarHBondContact O-N 2.97Å; S568-G570 VanDerWaalsContact C-N 3.31Å; S568-G570 PolarHBondContact O-N 2.91Å; G570-V574 WeakPolarHBondContact O-CG2 3.48Å; G570-F682 VanDerWaalsContact CA-CD2 3.43Å; G570-F682 VanDerWaalsContact CA-CE2 3.5Å; G570-F682 WeakPolarHBondContact CA-O 3.21Å; G570-F682 VanDerWaalsContact N-CD2 3.27Å; G570-Y686 WeakPolarHBondContact O-CA 3.37Å; G570-Y686 VanDerWaalsContact O-CB 3.3Å; G570-Y686 WeakPolarHBondContact O-CB 3.21Å; G570-Y686 PolarHBondContact O-N 2.93Å; G570-Y686 VanDerWaalsContact O-N 3.13Å |
| 571 | A | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | I | π-helix | trans | -102.1 | -95.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F557 L567 S568 Y569 G573 V574 I575 S685 V689 | F557-A571 VanDerWaalsContact O-CB 3.23Å; F557-A571 WeakPolarHBondContact O-CB 3.44Å; L567-A571 WeakPolarHBondContact O-CB 3.35Å; L567-A571 PolarHBondContact O-N 3.11Å; S568-A571 CarbonylContact O-C 3.51Å; S568-A571 PolarHBondContact O-N 3Å; Y569-A571 VanDerWaalsContact C-N 3.33Å; Y569-A571 PolarHBondContact O-N 2.79Å; A571-G573 PolarHBondContact O-N 3.27Å; A571-V574 PolarHBondContact O-N 3.41Å; A571-V574 VanDerWaalsContact O-N 3.14Å; A571-I575 PolarHBondContact O-N 2.88Å; A571-S685 WeakPolarHBondContact CB-OG 3.37Å; A571-V689 HydrophobicContact CB-CG1 3.8Å |
| 572 | I | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.05 | C | C | . | . | I | π-helix | trans | -59.4 | -32.3 | -178.3 | -169.9 | 63.5 | 0 | 0 | 0 | 113 | M433 L436 F548 L553 F557 F558 S568 V574 I575 V576 | M433-I572 HydrophobicContact CE-CD1 4.18Å; M433-I572 HydrophobicContact CE-CG1 3.9Å; M433-I572 HydrophobicContact SD-CD1 4.23Å; M433-I572 HydrophobicContact SD-CG1 3.47Å; M433-I572 WeakPolarHBondContact SD-CG1 3.07Å; L436-I572 HydrophobicContact CD1-CG2 3.67Å; F548-I572 HydrophobicContact CD1-CD1 4.49Å; L553-I572 HydrophobicContact CD2-CD1 3.99Å; L553-I572 HydrophobicContact CD2-CG1 4.31Å; F557-I572 WeakPolarHBondContact O-CB 3.3Å; F557-I572 WeakPolarHBondContact O-CG2 3.28Å; F557-I572 PolarHBondContact O-N 3.25Å; F558-I572 HydrophobicContact CD2-CG1 4.41Å; F558-I572 HydrophobicContact CD2-CG2 4.09Å; S568-I572 WeakPolarHBondContact O-CG2 3.28Å; S568-I572 PolarHBondContact O-N 3.34Å; S568-I572 VanDerWaalsContact O-N 3.11Å; I572-V574 PolarHBondContact O-N 3.32Å; I572-I575 HydrophobicContact CD1-CB 4.3Å; I572-I575 HydrophobicContact CD1-CD1 4.49Å; I572-I575 HydrophobicContact CD1-CG2 4.42Å; I572-I575 PolarHBondContact O-N 3.42Å; I572-I575 VanDerWaalsContact O-N 3.17Å; I572-V576 HydrophobicContact CG1-CG2 4.46Å; I572-V576 VanDerWaalsContact O-CG2 3.31Å; I572-V576 WeakPolarHBondContact O-CG2 3.49Å; I572-V576 PolarHBondContact O-N 3.01Å |
| 573 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.022 | C | C | . | . | I | π-helix | trans | -61.8 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S568 Y569 A571 I575 V576 G577 | S568-G573 PolarHBondContact O-N 2.87Å; Y569-G573 CarbonylContact O-C 3.52Å; Y569-G573 VanDerWaalsContact O-CA 3.31Å; Y569-G573 WeakPolarHBondContact O-CA 3.4Å; A571-G573 PolarHBondContact O-N 3.27Å; G573-I575 VanDerWaalsContact C-N 3.32Å; G573-I575 PolarHBondContact O-N 2.86Å; G573-V576 PolarHBondContact O-N 3.17Å; G573-G577 PolarHBondContact O-N 3.14Å |
| 574 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -66.6 | -35.1 | 174 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | Y569 G570 A571 I572 G577 H578 L648 A651 F682 Y686 | Y569-V574 WeakPolarHBondContact O-CG2 3.47Å; Y569-V574 PolarHBondContact O-N 3Å; G570-V574 WeakPolarHBondContact O-CG2 3.48Å; A571-V574 PolarHBondContact O-N 3.41Å; A571-V574 VanDerWaalsContact O-N 3.14Å; I572-V574 PolarHBondContact O-N 3.32Å; V574-G577 PolarHBondContact O-N 3.48Å; V574-H578 WeakPolarHBondContact O-CB 3.45Å; V574-H578 PolarHBondContact O-N 3.17Å; V574-L648 HydrophobicContact CG1-CB 4.33Å; V574-L648 HydrophobicContact CG2-CD1 3.95Å; V574-A651 HydrophobicContact CB-CB 4.29Å; V574-A651 HydrophobicContact CG2-CB 3.65Å; V574-F682 HydrophobicContact CG2-CE2 4.37Å; V574-F682 HydrophobicContact CG2-CZ 3.83Å; V574-Y686 HydrophobicContact CB-CD2 3.92Å; V574-Y686 HydrophobicContact CB-CE2 4.37Å; V574-Y686 HydrophobicContact CG1-CD2 3.46Å; V574-Y686 VanDerWaalsContact CG1-CD2 3.46Å; V574-Y686 HydrophobicContact CG1-CE2 3.42Å; V574-Y686 VanDerWaalsContact CG1-CE2 3.42Å; V574-Y686 HydrophobicContact CG2-CD2 3.85Å |
| 575 | I | 98.1 | Very high | 97.6 | Very high | 6 Ų | 6 | 3.8 Ų | 3.8 | 3% | 0.031 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.8 | -64.7 | 170.4 | 0 | 0 | 0 | 110.5 | Y102 A537 F548 F557 A571 I572 G573 G577 H578 E579 | Y102-I575 WeakPolarHBondContact OH-CD1 3.13Å; A537-I575 HydrophobicContact CB-CG2 3.55Å; F548-I575 HydrophobicContact CD1-CG2 4.49Å; F548-I575 HydrophobicContact CE1-CG2 4.16Å; F557-I575 HydrophobicContact CD1-CD1 3.56Å; F557-I575 HydrophobicContact CE1-CD1 4.17Å; A571-I575 PolarHBondContact O-N 2.88Å; I572-I575 HydrophobicContact CD1-CB 4.3Å; I572-I575 HydrophobicContact CD1-CD1 4.49Å; I572-I575 HydrophobicContact CD1-CG2 4.42Å; I572-I575 PolarHBondContact O-N 3.42Å; I572-I575 VanDerWaalsContact O-N 3.17Å; G573-I575 VanDerWaalsContact C-N 3.32Å; G573-I575 PolarHBondContact O-N 2.86Å; I575-G577 VanDerWaalsContact C-N 3.33Å; I575-G577 PolarHBondContact O-N 3.07Å; I575-H578 WeakPolarHBondContact O-CB 3.36Å; I575-H578 PolarHBondContact O-N 3.31Å; I575-E579 WeakPolarHBondContact O-CG 3.3Å; I575-E579 PolarHBondContact O-N 3.32Å |
| 576 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 173.7 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | M433 I440 I546 F548 I572 G573 E579 F580 | M433-V576 HydrophobicContact CE-CG2 3.51Å; I440-V576 HydrophobicContact CB-CG1 4.06Å; I440-V576 HydrophobicContact CG1-CB 4.16Å; I440-V576 HydrophobicContact CG1-CG1 3.81Å; I440-V576 HydrophobicContact CG2-CG1 4.22Å; I546-V576 HydrophobicContact CD1-CG1 4.43Å; F548-V576 HydrophobicContact CD1-CG2 4.5Å; F548-V576 HydrophobicContact CE1-CB 4.41Å; F548-V576 HydrophobicContact CE1-CG2 3.83Å; F548-V576 HydrophobicContact CE2-CG2 4.12Å; F548-V576 HydrophobicContact CZ-CB 4.03Å; F548-V576 HydrophobicContact CZ-CG1 4.17Å; F548-V576 HydrophobicContact CZ-CG2 3.63Å; I572-V576 HydrophobicContact CG1-CG2 4.46Å; I572-V576 VanDerWaalsContact O-CG2 3.31Å; I572-V576 WeakPolarHBondContact O-CG2 3.49Å; I572-V576 PolarHBondContact O-N 3.01Å; G573-V576 PolarHBondContact O-N 3.17Å; V576-E579 PolarHBondContact O-N 3.39Å; V576-F580 VanDerWaalsContact O-CB 3.31Å; V576-F580 WeakPolarHBondContact O-CB 3.24Å; V576-F580 PolarHBondContact O-N 3.03Å |
| 577 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G573 V574 I575 E579 F580 T581 E650 | G573-G577 PolarHBondContact O-N 3.14Å; V574-G577 PolarHBondContact O-N 3.48Å; I575-G577 VanDerWaalsContact C-N 3.33Å; I575-G577 PolarHBondContact O-N 3.07Å; G577-E579 PolarHBondContact O-N 3.45Å; G577-F580 CarbonylContact O-C 3.51Å; G577-F580 WeakPolarHBondContact O-CB 3.49Å; G577-F580 PolarHBondContact O-N 3.4Å; G577-F580 VanDerWaalsContact O-N 3.08Å; G577-T581 WeakPolarHBondContact O-CB 3.47Å; G577-T581 PolarHBondContact O-N 3.49Å; G577-T581 PolarHBondContact O-OG1 2.77Å; G577-E650 VanDerWaalsContact CA-OE2 3.32Å; G577-E650 WeakPolarHBondContact CA-OE2 3.4Å |
| 578 | H | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 7 Ų | 7 | 2% | 0.023 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -56.1 | -51.5 | 178.6 | -175.4 | 103.6 | 0 | 0 | 0 | 111.3 | V574 I575 F580 T581 H582 E640 A643 D644 R714 | V574-H578 WeakPolarHBondContact O-CB 3.45Å; V574-H578 PolarHBondContact O-N 3.17Å; I575-H578 WeakPolarHBondContact O-CB 3.36Å; I575-H578 PolarHBondContact O-N 3.31Å; H578-F580 VanDerWaalsContact C-N 3.29Å; H578-F580 PolarHBondContact O-N 2.91Å; H578-T581 PolarHBondContact O-N 3.17Å; H578-H582 AromaticContact CD2-CD2 3.56Å; H578-H582 AromaticContact CD2-NE2 3.25Å; H578-H582 PolarHBondContact CD2-NE2 2.69Å; H578-H582 VanDerWaalsContact CD2-NE2 3.25Å; H578-H582 AromaticContact NE2-CD2 3.75Å; H578-H582 AromaticContact NE2-CE1 3.64Å; H578-H582 AromaticContact NE2-NE2 2.93Å; H578-H582 PolarHBondContact NE2-NE2 2.96Å; H578-H582 PolarHBondContact O-CD2 3.29Å; H578-H582 PolarHBondContact O-N 3.48Å; H578-E640 IonicContact CE1-OE2 2.69Å; H578-E640 PolarHBondContact CE1-OE2 3.48Å; H578-E640 VanDerWaalsContact CE1-OE2 3.32Å; H578-E640 IonicContact NE2-OE2 2.87Å; H578-E640 PolarHBondContact NE2-OE2 2.83Å; H578-A643 VanDerWaalsContact CE1-CB 3.41Å; H578-A643 WeakPolarHBondContact CE1-CB 3.22Å; H578-A643 WeakPolarHBondContact O-CB 3.38Å; H578-D644 IonicContact CE1-OD1 2.66Å; H578-D644 PolarHBondContact ND1-N 3.19Å; H578-D644 IonicContact ND1-OD1 3.7Å; H578-D644 PolarHBondContact ND1-OD1 3.02Å; H578-R714 PolarHBondContact CE1-NH2 3.14Å |
| 579 | E | 98.4 | Very high | 97.5 | Very high | 13 Ų | 13 | 7.7 Ų | 7.7 | 6% | 0.061 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -66 | -31.8 | 177.1 | -58.7 | -46.5 | 138.9 | 0 | 0 | 112.8 | A537 F538 Y539 I546 F548 I575 V576 G577 H582 | A537-E579 HydrophobicContact CB-CG 3.66Å; F538-E579 WeakPolarHBondContact CA-OE2 3.16Å; F538-E579 PolarHBondContact N-OE2 3.45Å; Y539-E579 WeakPolarHBondContact CB-O 3.43Å; Y539-E579 PolarHBondContact N-OE2 2.99Å; I546-E579 HydrophobicContact CB-CB 4.02Å; I546-E579 HydrophobicContact CG2-CB 3.68Å; I546-E579 VanDerWaalsContact CG2-O 3.3Å; I546-E579 WeakPolarHBondContact CG2-O 3.31Å; F548-E579 HydrophobicContact CE1-CB 4.38Å; F548-E579 HydrophobicContact CE1-CG 3.9Å; F548-E579 HydrophobicContact CZ-CB 4.21Å; F548-E579 HydrophobicContact CZ-CG 4.23Å; I575-E579 WeakPolarHBondContact O-CG 3.3Å; I575-E579 PolarHBondContact O-N 3.32Å; V576-E579 PolarHBondContact O-N 3.39Å; G577-E579 PolarHBondContact O-N 3.45Å; E579-H582 IonicContact OE2-CD2 3.11Å; E579-H582 PolarHBondContact OE2-CD2 2.85Å |
| 580 | F | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -68.5 | -47 | 175.4 | -164.8 | -82.7 | 0 | 0 | 0 | 111.2 | I440 R441 F444 A467 V470 I546 V576 G577 H578 H582 G583 F584 | I440-F580 HydrophobicContact CG2-CB 4Å; I440-F580 HydrophobicContact CG2-CG 4.18Å; R441-F580 HydrophobicContact CB-CE2 3.97Å; R441-F580 HydrophobicContact CB-CZ 4.22Å; R441-F580 HydrophobicContact CG-CE2 3.92Å; R441-F580 HydrophobicContact CG-CZ 3.88Å; F444-F580 HydrophobicContact CB-CD1 4.02Å; F444-F580 HydrophobicContact CB-CE1 3.65Å; F444-F580 AromaticContact CD1-CE1 3.64Å; F444-F580 HydrophobicContact CD1-CE1 3.64Å; F444-F580 HydrophobicContact CD1-CZ 4.48Å; F444-F580 HydrophobicContact CD2-CD1 4.11Å; F444-F580 HydrophobicContact CD2-CE1 4.03Å; F444-F580 HydrophobicContact CE1-CE1 4.3Å; F444-F580 AromaticContact CG-CD1 3.95Å; F444-F580 HydrophobicContact CG-CD1 3.95Å; F444-F580 AromaticContact CG-CE1 3.48Å; F444-F580 HydrophobicContact CG-CE1 3.48Å; F444-F580 VanDerWaalsContact CG-CE1 3.48Å; A467-F580 HydrophobicContact CB-CE1 4.14Å; A467-F580 HydrophobicContact CB-CZ 3.86Å; A467-F580 WeakPolarHBondContact O-CZ 3.47Å; V470-F580 HydrophobicContact CB-CD2 4.33Å; V470-F580 HydrophobicContact CB-CE2 3.83Å; V470-F580 HydrophobicContact CB-CZ 4.47Å; V470-F580 HydrophobicContact CG1-CD2 4.02Å; V470-F580 HydrophobicContact CG1-CE2 4.03Å; V470-F580 HydrophobicContact CG2-CD2 4.49Å; V470-F580 HydrophobicContact CG2-CE2 4.01Å; V470-F580 HydrophobicContact CG2-CZ 4.23Å; I546-F580 HydrophobicContact CD1-CD2 4.49Å; V576-F580 VanDerWaalsContact O-CB 3.31Å; V576-F580 WeakPolarHBondContact O-CB 3.24Å; V576-F580 PolarHBondContact O-N 3.03Å; G577-F580 CarbonylContact O-C 3.51Å; G577-F580 WeakPolarHBondContact O-CB 3.49Å; G577-F580 PolarHBondContact O-N 3.4Å; G577-F580 VanDerWaalsContact O-N 3.08Å; H578-F580 VanDerWaalsContact C-N 3.29Å; H578-F580 PolarHBondContact O-N 2.91Å; F580-H582 PolarHBondContact O-N 2.94Å; F580-G583 PolarHBondContact O-N 3.11Å; F580-F584 HydrophobicContact CD1-CE2 4.26Å; F580-F584 AromaticContact CE1-CE2 3.82Å; F580-F584 HydrophobicContact CE1-CE2 3.82Å |
| 581 | T | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62 | -29.5 | 177.4 | -48.9 | 0 | 0 | 0 | 0 | 111.9 | G577 H578 G583 F584 D585 I642 G647 E650 W747 | G577-T581 WeakPolarHBondContact O-CB 3.47Å; G577-T581 PolarHBondContact O-N 3.49Å; G577-T581 PolarHBondContact O-OG1 2.77Å; H578-T581 PolarHBondContact O-N 3.17Å; T581-G583 PolarHBondContact O-N 3.34Å; T581-G583 VanDerWaalsContact O-N 3.1Å; T581-F584 CarbonylContact O-C 3.43Å; T581-F584 WeakPolarHBondContact O-CA 3.45Å; T581-F584 PolarHBondContact O-N 3.48Å; T581-D585 PolarHBondContact O-N 3.15Å; T581-I642 HydrophobicContact CG2-CG2 3.92Å; T581-G647 PolarHBondContact OG1-N 2.71Å; T581-E650 PolarHBondContact OG1-OE1 2.92Å; T581-W747 VanDerWaalsContact CG2-CD1 3.45Å; T581-W747 HydrophobicContact CG2-CG 4.43Å |
| 582 | H | 98.5 | Very high | 97.4 | Very high | 18 Ų | 18 | 10.4 Ų | 10.4 | 8% | 0.083 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -56.4 | -25.1 | 172.6 | -83.8 | -49 | 0 | 0 | 0 | 113.3 | Y539 H578 E579 F580 F584 D585 G588 E640 | Y539-H582 VanDerWaalsContact CB-CB 3.5Å; Y539-H582 HydrophobicContact CD1-CB 3.68Å; Y539-H582 HydrophobicContact CG-CB 3.71Å; H578-H582 AromaticContact CD2-CD2 3.56Å; H578-H582 AromaticContact CD2-NE2 3.25Å; H578-H582 PolarHBondContact CD2-NE2 2.69Å; H578-H582 VanDerWaalsContact CD2-NE2 3.25Å; H578-H582 AromaticContact NE2-CD2 3.75Å; H578-H582 AromaticContact NE2-CE1 3.64Å; H578-H582 AromaticContact NE2-NE2 2.93Å; H578-H582 PolarHBondContact NE2-NE2 2.96Å; H578-H582 PolarHBondContact O-CD2 3.29Å; H578-H582 PolarHBondContact O-N 3.48Å; E579-H582 IonicContact OE2-CD2 3.11Å; E579-H582 PolarHBondContact OE2-CD2 2.85Å; F580-H582 PolarHBondContact O-N 2.94Å; H582-F584 PolarHBondContact O-N 3.23Å; H582-F584 VanDerWaalsContact O-N 3.16Å; H582-D585 IonicContact CE1-OD2 3.1Å; H582-D585 IonicContact CG-OD2 3.91Å; H582-D585 IonicContact ND1-OD2 2.78Å; H582-D585 PolarHBondContact ND1-OD2 3.42Å; H582-G588 WeakPolarHBondContact O-CA 3.39Å; H582-E640 VanDerWaalsContact CE1-CD 3.45Å; H582-E640 IonicContact CE1-OE1 2.65Å; H582-E640 PolarHBondContact CE1-OE1 3.49Å; H582-E640 IonicContact CE1-OE2 2.77Å; H582-E640 PolarHBondContact CE1-OE2 2.76Å; H582-E640 IonicContact NE2-OE1 3.15Å; H582-E640 IonicContact NE2-OE2 3.54Å; H582-E640 PolarHBondContact NE2-OE2 2.9Å |
| 583 | G | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -62.7 | -15.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K466 Y539 F580 T581 G588 R589 | K466-G583 WeakPolarHBondContact CE-O 3.47Å; K466-G583 PolarHBondContact NZ-O 2.98Å; Y539-G583 WeakPolarHBondContact OH-CA 3.39Å; F580-G583 PolarHBondContact O-N 3.11Å; T581-G583 PolarHBondContact O-N 3.34Å; T581-G583 VanDerWaalsContact O-N 3.1Å; G583-G588 CarbonylContact O-C 3.55Å; G583-R589 PolarHBondContact O-N 3.44Å |
| 584 | F | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -134.2 | 9.7 | -172.8 | -52.4 | -86.5 | 0 | 0 | 0 | 112.7 | F444 A463 K466 A467 F580 T581 H582 W600 W747 | F444-F584 HydrophobicContact CD1-CE2 4.44Å; F444-F584 HydrophobicContact CE1-CD1 4.43Å; F444-F584 HydrophobicContact CE1-CD2 4.09Å; F444-F584 HydrophobicContact CE1-CE1 4.13Å; F444-F584 AromaticContact CE1-CE2 3.77Å; F444-F584 HydrophobicContact CE1-CE2 3.77Å; F444-F584 HydrophobicContact CE1-CG 4.42Å; F444-F584 AromaticContact CE1-CZ 3.79Å; F444-F584 HydrophobicContact CE1-CZ 3.79Å; F444-F584 HydrophobicContact CE2-CB 4.44Å; F444-F584 AromaticContact CE2-CD2 3.72Å; F444-F584 HydrophobicContact CE2-CD2 3.72Å; F444-F584 HydrophobicContact CE2-CE2 4.16Å; F444-F584 HydrophobicContact CE2-CG 4.07Å; F444-F584 HydrophobicContact CZ-CB 4.25Å; F444-F584 AromaticContact CZ-CD1 3.85Å; F444-F584 HydrophobicContact CZ-CD1 3.85Å; F444-F584 AromaticContact CZ-CD2 3.42Å; F444-F584 HydrophobicContact CZ-CD2 3.42Å; F444-F584 VanDerWaalsContact CZ-CD2 3.42Å; F444-F584 HydrophobicContact CZ-CE1 4Å; F444-F584 AromaticContact CZ-CE2 3.6Å; F444-F584 HydrophobicContact CZ-CE2 3.6Å; F444-F584 AromaticContact CZ-CG 3.56Å; F444-F584 HydrophobicContact CZ-CG 3.56Å; F444-F584 AromaticContact CZ-CZ 3.89Å; F444-F584 HydrophobicContact CZ-CZ 3.89Å; A463-F584 HydrophobicContact CB-CD1 4.47Å; A463-F584 HydrophobicContact CB-CE1 4.1Å; K466-F584 HydrophobicContact CB-CE1 4.07Å; K466-F584 HydrophobicContact CB-CZ 4.16Å; K466-F584 HydrophobicContact CD-CE1 3.88Å; K466-F584 HydrophobicContact CD-CZ 4.18Å; K466-F584 HydrophobicContact CG-CE1 4.01Å; K466-F584 HydrophobicContact CG-CZ 3.92Å; A467-F584 HydrophobicContact CB-CE2 4.37Å; A467-F584 HydrophobicContact CB-CZ 3.81Å; F580-F584 HydrophobicContact CD1-CE2 4.26Å; F580-F584 AromaticContact CE1-CE2 3.82Å; F580-F584 HydrophobicContact CE1-CE2 3.82Å; T581-F584 CarbonylContact O-C 3.43Å; T581-F584 WeakPolarHBondContact O-CA 3.45Å; T581-F584 PolarHBondContact O-N 3.48Å; H582-F584 PolarHBondContact O-N 3.23Å; H582-F584 VanDerWaalsContact O-N 3.16Å; F584-W600 HydrophobicContact CD1-CH2 4.47Å; F584-W600 HydrophobicContact CE1-CH2 4.45Å; F584-W747 HydrophobicContact CB-CH2 4.03Å; F584-W747 HydrophobicContact CB-CZ2 3.41Å; F584-W747 VanDerWaalsContact CB-CZ2 3.41Å; F584-W747 HydrophobicContact CG-CZ2 4.43Å; F584-W747 VanDerWaalsContact O-CZ2 3.27Å; F584-W747 WeakPolarHBondContact O-CZ2 3.36Å |
| 585 | D | 97.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 4% | 0.043 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -72.7 | -172.1 | 175.7 | 75 | 21.7 | 0 | 0 | 0 | 112.4 | T581 H582 N587 G588 R589 A639 I642 | T581-D585 PolarHBondContact O-N 3.15Å; H582-D585 IonicContact CE1-OD2 3.1Å; H582-D585 IonicContact CG-OD2 3.91Å; H582-D585 IonicContact ND1-OD2 2.78Å; H582-D585 PolarHBondContact ND1-OD2 3.42Å; D585-N587 PolarHBondContact O-N 2.85Å; D585-N587 WeakPolarHBondContact OD1-CA 3.25Å; D585-N587 PolarHBondContact OD1-N 3.44Å; D585-G588 PolarHBondContact OD1-N 3.09Å; D585-R589 VanDerWaalsContact O-CB 3.27Å; D585-R589 WeakPolarHBondContact O-CB 3.48Å; D585-R589 VanDerWaalsContact O-CG 3.23Å; D585-R589 WeakPolarHBondContact O-CG 3.45Å; D585-R589 PolarHBondContact O-N 3.16Å; D585-A639 HydrophobicContact CB-CB 4.43Å; D585-I642 HydrophobicContact CB-CB 4.36Å; D585-I642 HydrophobicContact CB-CG2 4.05Å |
| 586 | S | 95.1 | Very high | 97.2 | Very high | 33 Ų | 33 | 20 Ų | 20 | 23% | 0.231 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -18.7 | -179.6 | 66.9 | 0 | 0 | 0 | 0 | 115.6 | K590 | S586-K590 WeakPolarHBondContact O-CE 3.32Š|
| 587 | N | 94.5 | Very high | 97.1 | Very high | 60 Ų | 60 | 20.7 Ų | 20.7 | 32% | 0.321 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -52.5 | 177.9 | -174 | 61.1 | 0 | 0 | 0 | 112.2 | S291 D585 R589 K590 | S291-N587 PolarHBondContact OG-OD1 3.12Å; D585-N587 PolarHBondContact O-N 2.85Å; D585-N587 WeakPolarHBondContact OD1-CA 3.25Å; D585-N587 PolarHBondContact OD1-N 3.44Å; N587-R589 VanDerWaalsContact C-N 3.27Å; N587-R589 PolarHBondContact O-N 3.2Å; N587-K590 VanDerWaalsContact O-CB 3.29Å; N587-K590 WeakPolarHBondContact O-CB 3.42Å; N587-K590 WeakPolarHBondContact O-CG 3.4Å; N587-K590 PolarHBondContact O-N 2.77Å; N587-K590 VanDerWaalsContact O-N 3.08Å |
| 588 | G | 96 | Very high | 96.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -62.4 | -31 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K466 H582 G583 D585 K590 Y591 | K466-G588 PolarHBondContact NZ-O 3Å; H582-G588 WeakPolarHBondContact O-CA 3.39Å; G583-G588 CarbonylContact O-C 3.55Å; D585-G588 PolarHBondContact OD1-N 3.09Å; G588-K590 PolarHBondContact O-N 2.65Å; G588-Y591 PolarHBondContact O-N 3.27Å |
| 589 | R | 96.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -56 | -22.1 | 174.9 | 76.6 | 170.4 | -173.4 | 76.2 | -0.1 | 113.8 | G583 D585 N587 Y591 W600 W601 E606 | G583-R589 PolarHBondContact O-N 3.44Å; D585-R589 VanDerWaalsContact O-CB 3.27Å; D585-R589 WeakPolarHBondContact O-CB 3.48Å; D585-R589 VanDerWaalsContact O-CG 3.23Å; D585-R589 WeakPolarHBondContact O-CG 3.45Å; D585-R589 PolarHBondContact O-N 3.16Å; N587-R589 VanDerWaalsContact C-N 3.27Å; N587-R589 PolarHBondContact O-N 3.2Å; R589-Y591 VanDerWaalsContact C-N 3.27Å; R589-W600 VanDerWaalsContact O-CZ2 3.32Å; R589-W600 WeakPolarHBondContact O-CZ2 3.31Å; R589-W600 PolarHBondContact O-NE1 3.21Å; R589-W601 HydrophobicContact CB-CH2 4.32Å; R589-W601 HydrophobicContact CB-CZ2 3.72Å; R589-E606 IonicContact CZ-OE1 3.5Å; R589-E606 IonicContact NH1-OE1 3.74Å; R589-E606 PolarHBondContact NH1-OE1 2.94Å; R589-E606 IonicContact NH2-OE1 3.88Å |
| 590 | K | 95.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 10% | 0.1 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -82.4 | -9.8 | -176.7 | -56.4 | 169.6 | 172.6 | -172.6 | 0 | 112.7 | E292 S586 N587 G588 L597 D598 | E292-K590 WeakPolarHBondContact OE1-CD 3.35Å; E292-K590 WeakPolarHBondContact OE1-CE 3.06Å; E292-K590 IonicContact OE1-NZ 3.62Å; E292-K590 PolarHBondContact OE1-NZ 2.82Å; E292-K590 IonicContact OE2-NZ 2.85Å; E292-K590 PolarHBondContact OE2-NZ 3.25Å; S586-K590 WeakPolarHBondContact O-CE 3.32Å; N587-K590 VanDerWaalsContact O-CB 3.29Å; N587-K590 WeakPolarHBondContact O-CB 3.42Å; N587-K590 WeakPolarHBondContact O-CG 3.4Å; N587-K590 PolarHBondContact O-N 2.77Å; N587-K590 VanDerWaalsContact O-N 3.08Å; G588-K590 PolarHBondContact O-N 2.65Å; K590-L597 HydrophobicContact CB-CD1 3.69Å; K590-L597 WeakPolarHBondContact O-CA 3.29Å; K590-D598 PolarHBondContact O-N 3.4Å; K590-D598 VanDerWaalsContact O-O 3.07Å |
| 591 | Y | 97.4 | Very high | 96 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -102.8 | 133.5 | 178.4 | -67.1 | -98.3 | 0 | 0 | 0 | 109.1 | D210 S291 K466 A541 G588 R589 G595 N596 L597 W600 | D210-Y591 HydrophobicContact CB-CE1 4.3Å; D210-Y591 PolarHBondContact OD1-OH 2.98Å; S291-Y591 WeakPolarHBondContact CB-OH 3.39Å; S291-Y591 PolarHBondContact OG-OH 3.23Å; K466-Y591 WeakPolarHBondContact CE-O 3.31Å; K466-Y591 PolarHBondContact NZ-O 3.37Å; A541-Y591 HydrophobicContact CB-CD1 4.13Å; A541-Y591 HydrophobicContact CB-CD2 3.69Å; A541-Y591 HydrophobicContact CB-CE1 4.41Å; A541-Y591 HydrophobicContact CB-CE2 4.01Å; A541-Y591 HydrophobicContact CB-CG 3.75Å; G588-Y591 PolarHBondContact O-N 3.27Å; R589-Y591 VanDerWaalsContact C-N 3.27Å; Y591-G595 WeakPolarHBondContact CD1-O 3.46Å; Y591-N596 CarbonylContact C-O 3.57Å; Y591-N596 WeakPolarHBondContact CA-O 3.3Å; Y591-L597 HydrophobicContact CD1-CB 4.21Å; Y591-L597 HydrophobicContact CD2-CD1 4.44Å; Y591-L597 HydrophobicContact CE1-CB 3.91Å; Y591-L597 HydrophobicContact CE1-CD1 4.48Å; Y591-L597 HydrophobicContact CE2-CD1 4.06Å; Y591-W600 VanDerWaalsContact C-NE1 3.31Å; Y591-W600 PolarHBondContact O-NE1 2.78Å |
| 592 | D | 96.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 14% | 0.144 | 17% | 0.169 | C | C | . | . | trans | -70.4 | -175.3 | 177.1 | 76.5 | 0 | 0 | 0 | 0 | 111.9 | N594 G595 N596 D598 | D592-N594 PolarHBondContact O-N 3.42Å; D592-N594 WeakPolarHBondContact OD1-CA 3.48Å; D592-N594 WeakPolarHBondContact OD1-CB 3.25Å; D592-N594 PolarHBondContact OD1-N 3.41Å; D592-N594 PolarHBondContact OD2-ND2 3.38Å; D592-G595 PolarHBondContact O-N 2.89Å; D592-G595 VanDerWaalsContact O-N 3.14Å; D592-G595 PolarHBondContact OD1-N 3Å; D592-N596 PolarHBondContact N-O 3.19Å; D592-N596 PolarHBondContact OD1-N 3.46Å; D592-N596 PolarHBondContact OD2-ND2 2.98Å; D592-D598 HydrophobicContact CB-CB 4.42Å | ||
| 593 | K | 96.9 | Very high | 95.8 | Very high | 85 Ų | 85 | 35.1 Ų | 35.1 | 37% | 0.37 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.9 | 177.7 | 70.7 | -176.4 | 175.7 | -168.8 | 0 | 114.5 | E465 K466 A469 N544 | E465-K593 HydrophobicContact CB-CD 4.28Å; E465-K593 IonicContact OE2-NZ 2.66Å; E465-K593 PolarHBondContact OE2-NZ 3.33Å; K466-K593 HydrophobicContact CB-CB 4.12Å; K466-K593 HydrophobicContact CG-CB 4.41Å; A469-K593 HydrophobicContact CB-CB 3.91Å; N544-K593 PolarHBondContact ND2-O 2.77Å |
| 594 | N | 95.9 | Very high | 95.8 | Very high | 89 Ų | 89 | 40.2 Ų | 40.2 | 48% | 0.476 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -9.4 | 179.7 | -55.8 | -53.3 | 0 | 0 | 0 | 112 | S213 K525 D592 | S213-N594 PolarHBondContact OG-O 2.9Å; S213-N594 VanDerWaalsContact OG-O 3.09Å; K525-N594 PolarHBondContact NZ-O 2.81Å; D592-N594 PolarHBondContact O-N 3.42Å; D592-N594 WeakPolarHBondContact OD1-CA 3.48Å; D592-N594 WeakPolarHBondContact OD1-CB 3.25Å; D592-N594 PolarHBondContact OD1-N 3.41Å; D592-N594 PolarHBondContact OD2-ND2 3.38Å |
| 595 | G | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 89 | 21.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S213 A541 S542 Y591 D592 | S213-G595 WeakPolarHBondContact CB-O 3.35Å; S213-G595 PolarHBondContact OG-O 3.47Å; A541-G595 WeakPolarHBondContact O-CA 3.31Å; S542-G595 WeakPolarHBondContact CA-O 3.42Å; Y591-G595 WeakPolarHBondContact CD1-O 3.46Å; D592-G595 PolarHBondContact O-N 2.89Å; D592-G595 VanDerWaalsContact O-N 3.14Å; D592-G595 PolarHBondContact OD1-N 3Å |
| 596 | N | 97.5 | Very high | 95.7 | Very high | 35 Ų | 35 | 41.8 Ų | 41.8 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | trans | -89.7 | 134.5 | 172.6 | -55.3 | -50 | 0 | 0 | 0 | 110.6 | D210 K211 S213 Y591 D592 D598 | D210-N596 CarbonylContact O-C 3.58Å; K211-N596 PolarHBondContact O-OD1 3.36Å; S213-N596 VanDerWaalsContact CB-OD1 3.29Å; S213-N596 WeakPolarHBondContact CB-OD1 3.39Å; S213-N596 PolarHBondContact N-OD1 3.47Å; S213-N596 PolarHBondContact OG-OD1 2.91Å; Y591-N596 CarbonylContact C-O 3.57Å; Y591-N596 WeakPolarHBondContact CA-O 3.3Å; D592-N596 PolarHBondContact N-O 3.19Å; D592-N596 PolarHBondContact OD1-N 3.46Å; D592-N596 PolarHBondContact OD2-ND2 2.98Å; N596-D598 PolarHBondContact O-N 2.89Å | ||
| 597 | L | 96.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -66.2 | 97.5 | 171 | -179.3 | 67.8 | 0 | 0 | 0 | 108.9 | D210 K211 Y295 K590 Y591 | D210-L597 HydrophobicContact CB-CB 4.16Å; D210-L597 HydrophobicContact CB-CD2 4.22Å; D210-L597 WeakPolarHBondContact O-CB 3.48Å; D210-L597 PolarHBondContact O-N 3.09Å; K211-L597 HydrophobicContact CG-CB 4.15Å; Y295-L597 HydrophobicContact CG-CD2 4.43Å; K590-L597 HydrophobicContact CB-CD1 3.69Å; K590-L597 WeakPolarHBondContact O-CA 3.29Å; Y591-L597 HydrophobicContact CD1-CB 4.21Å; Y591-L597 HydrophobicContact CD2-CD1 4.44Å; Y591-L597 HydrophobicContact CE1-CB 3.91Å; Y591-L597 HydrophobicContact CE1-CD1 4.48Å; Y591-L597 HydrophobicContact CE2-CD1 4.06Å |
| 598 | D | 92.7 | Very high | 95.9 | Very high | 76 Ų | 76 | 47.2 Ų | 47.2 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | trans | -141.2 | 129.3 | -170.9 | -174.3 | 50.8 | 0 | 0 | 0 | 109.3 | K590 D592 N596 W600 | K590-D598 PolarHBondContact O-N 3.4Å; K590-D598 VanDerWaalsContact O-O 3.07Å; D592-D598 HydrophobicContact CB-CB 4.42Å; N596-D598 PolarHBondContact O-N 2.89Å; D598-W600 PolarHBondContact O-N 2.84Å | ||
| 599 | P | 86.8 | Confident | 96 | Very high | 107 Ų | 107 | 47.4 Ų | 47.4 | 70% | 0.695 | 25% | 0.246 | S | C | * | . | trans | -74.2 | 78.2 | 176.4 | 31.6 | -35 | 0 | 0 | 0 | 110.3 | ||||
| 600 | W | 95.3 | Very high | 96 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | trans | -87.8 | -4.3 | -175.3 | 61.1 | -97.8 | 0 | 0 | 0 | 114.3 | T459 K462 A463 K466 F584 R589 Y591 D598 | T459-W600 HydrophobicContact CG2-CZ3 4.22Å; K462-W600 HydrophobicContact CB-CD2 4.46Å; K462-W600 HydrophobicContact CB-CE3 3.44Å; K462-W600 VanDerWaalsContact CB-CE3 3.44Å; K462-W600 HydrophobicContact CB-CZ3 3.65Å; K462-W600 HydrophobicContact CD-CB 4.2Å; K462-W600 HydrophobicContact CD-CE3 4.01Å; K462-W600 WeakPolarHBondContact CD-O 3.32Å; K462-W600 HydrophobicContact CG-CE3 4.39Å; K462-W600 PolarHBondContact NZ-O 2.88Å; A463-W600 HydrophobicContact CB-CH2 3.99Å; A463-W600 HydrophobicContact CB-CZ3 4.08Å; K466-W600 HydrophobicContact CD-CZ2 3.88Å; F584-W600 HydrophobicContact CD1-CH2 4.47Å; F584-W600 HydrophobicContact CE1-CH2 4.45Å; R589-W600 VanDerWaalsContact O-CZ2 3.32Å; R589-W600 WeakPolarHBondContact O-CZ2 3.31Å; R589-W600 PolarHBondContact O-NE1 3.21Å; Y591-W600 VanDerWaalsContact C-NE1 3.31Å; Y591-W600 PolarHBondContact O-NE1 2.78Å; D598-W600 PolarHBondContact O-N 2.84Å | ||
| 601 | W | 96.4 | Very high | 96 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 6% | 0.057 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -90.6 | 150.4 | 175.6 | -69.7 | 40.5 | 0 | 0 | 0 | 110.4 | W454 M455 T459 R589 E606 F609 W747 | W454-W601 AromaticContact CH2-CH2 3.65Å; W454-W601 HydrophobicContact CH2-CH2 3.65Å; W454-W601 AromaticContact CH2-CZ3 3.57Å; W454-W601 HydrophobicContact CH2-CZ3 3.57Å; W454-W601 HydrophobicContact CZ3-CE3 4.49Å; W454-W601 HydrophobicContact CZ3-CH2 4.16Å; W454-W601 AromaticContact CZ3-CZ3 3.58Å; W454-W601 HydrophobicContact CZ3-CZ3 3.58Å; M455-W601 HydrophobicContact CE-CH2 4.15Å; M455-W601 HydrophobicContact CE-CZ2 4.12Å; M455-W601 HydrophobicContact CE-CZ3 4.48Å; T459-W601 HydrophobicContact CG2-CB 3.93Å; T459-W601 HydrophobicContact CG2-CD2 3.53Å; T459-W601 HydrophobicContact CG2-CE3 4.01Å; T459-W601 HydrophobicContact CG2-CG 3.51Å; R589-W601 HydrophobicContact CB-CH2 4.32Å; R589-W601 HydrophobicContact CB-CZ2 3.72Å; W601-E606 HydrophobicContact CB-CG 3.67Å; W601-E606 HydrophobicContact CE3-CG 4.49Å; W601-E606 HydrophobicContact CG-CG 4.47Å; W601-F609 AromaticContact CH2-CD2 3.65Å; W601-F609 HydrophobicContact CH2-CD2 3.65Å; W601-F609 HydrophobicContact CH2-CE2 4.13Å; W601-F609 HydrophobicContact CH2-CG 4.44Å; W601-F609 HydrophobicContact CZ3-CB 3.86Å; W601-F609 AromaticContact CZ3-CD2 3.63Å; W601-F609 HydrophobicContact CZ3-CD2 3.63Å; W601-F609 HydrophobicContact CZ3-CE2 4.49Å; W601-F609 HydrophobicContact CZ3-CG 4Å; W601-W747 AromaticContact CH2-CH2 3.82Å; W601-W747 HydrophobicContact CH2-CH2 3.82Å; W601-W747 HydrophobicContact CH2-CZ2 4.15Å; W601-W747 HydrophobicContact CZ2-CH2 4.17Å |
| 602 | T | 96.8 | Very high | 95.9 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | trans | -69.9 | 155.9 | 165.8 | 74.2 | 0 | 0 | 0 | 0 | 110.4 | D456 T459 D604 S605 E606 | D456-T602 WeakPolarHBondContact OD2-CB 3.36Å; D456-T602 VanDerWaalsContact OD2-CG2 3.29Å; D456-T602 WeakPolarHBondContact OD2-CG2 3.44Å; D456-T602 PolarHBondContact OD2-OG1 3.3Å; T459-T602 PolarHBondContact OG1-N 3.43Å; T602-D604 VanDerWaalsContact C-N 3.27Å; T602-D604 PolarHBondContact O-N 3.06Å; T602-S605 PolarHBondContact O-N 3.33Å; T602-S605 PolarHBondContact OG1-N 3.36Å; T602-E606 WeakPolarHBondContact O-CG 3.44Å; T602-E606 PolarHBondContact O-N 3.39Å | ||
| 603 | T | 96.1 | Very high | 96 | Very high | 93 Ų | 93 | 60 Ų | 60 | 57% | 0.571 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -54.8 | -43.2 | 175.5 | -51.4 | 0 | 0 | 0 | 0 | 112 | S605 E606 E607 | T603-S605 PolarHBondContact O-N 3.48Å; T603-E606 WeakPolarHBondContact O-CB 3.42Å; T603-E606 PolarHBondContact O-N 3.44Å; T603-E606 VanDerWaalsContact O-N 3.15Å; T603-E607 HydrophobicContact CG2-CG 4.48Å; T603-E607 WeakPolarHBondContact O-CG 3.42Å; T603-E607 PolarHBondContact O-N 3.22Å |
| 604 | D | 96.7 | Very high | 96 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 57% | 0.572 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.2 | -45.3 | -178.9 | -66.5 | 0.6 | 0 | 0 | 0 | 112 | T602 E606 E607 K608 | T602-D604 VanDerWaalsContact C-N 3.27Å; T602-D604 PolarHBondContact O-N 3.06Å; D604-E606 VanDerWaalsContact C-N 3.33Å; D604-E606 PolarHBondContact O-N 2.92Å; D604-E607 PolarHBondContact O-N 3Å; D604-K608 WeakPolarHBondContact O-CG 3.45Å; D604-K608 PolarHBondContact O-N 3.24Å; D604-K608 VanDerWaalsContact O-N 3.08Å |
| 605 | S | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 176.6 | -76.8 | 0 | 0 | 0 | 0 | 111.7 | M455 D456 T459 T602 T603 F609 | M455-S605 WeakPolarHBondContact CA-OG 3.19Å; D456-S605 PolarHBondContact N-OG 3.1Å; D456-S605 VanDerWaalsContact N-OG 3.14Å; D456-S605 PolarHBondContact OD2-OG 3.02Å; T459-S605 PolarHBondContact OG1-OG 2.93Å; T602-S605 PolarHBondContact O-N 3.33Å; T602-S605 PolarHBondContact OG1-N 3.36Å; T603-S605 PolarHBondContact O-N 3.48Å; S605-F609 WeakPolarHBondContact O-CB 3.5Å; S605-F609 PolarHBondContact O-N 2.82Å |
| 606 | E | 96 | Very high | 96.2 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.7 | -40 | 175.2 | -67.8 | -155 | 143.3 | 0 | 0 | 113.3 | R589 W601 T602 T603 D604 F609 K610 | R589-E606 IonicContact CZ-OE1 3.5Å; R589-E606 IonicContact NH1-OE1 3.74Å; R589-E606 PolarHBondContact NH1-OE1 2.94Å; R589-E606 IonicContact NH2-OE1 3.88Å; W601-E606 HydrophobicContact CB-CG 3.67Å; W601-E606 HydrophobicContact CE3-CG 4.49Å; W601-E606 HydrophobicContact CG-CG 4.47Å; T602-E606 WeakPolarHBondContact O-CG 3.44Å; T602-E606 PolarHBondContact O-N 3.39Å; T603-E606 WeakPolarHBondContact O-CB 3.42Å; T603-E606 PolarHBondContact O-N 3.44Å; T603-E606 VanDerWaalsContact O-N 3.15Å; D604-E606 VanDerWaalsContact C-N 3.33Å; D604-E606 PolarHBondContact O-N 2.92Å; E606-F609 WeakPolarHBondContact O-CB 3.47Å; E606-F609 PolarHBondContact O-N 2.67Å; E606-K610 WeakPolarHBondContact O-CG 3.42Å; E606-K610 PolarHBondContact O-N 2.86Å |
| 607 | E | 96.6 | Very high | 96.2 | Very high | 116 Ų | 116 | 60.5 Ų | 60.5 | 54% | 0.542 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.3 | -46.2 | 178 | -73.4 | -176.8 | 173.4 | 0 | 0 | 111.2 | T603 D604 F609 K610 E611 | T603-E607 HydrophobicContact CG2-CG 4.48Å; T603-E607 WeakPolarHBondContact O-CG 3.42Å; T603-E607 PolarHBondContact O-N 3.22Å; D604-E607 PolarHBondContact O-N 3Å; E607-F609 VanDerWaalsContact C-N 3.3Å; E607-F609 PolarHBondContact O-N 3.18Å; E607-K610 WeakPolarHBondContact O-CB 3.48Å; E607-K610 PolarHBondContact O-N 2.98Å; E607-K610 VanDerWaalsContact O-N 3.11Å; E607-E611 PolarHBondContact O-N 3.13Å |
| 608 | K | 97.7 | Very high | 96.3 | Very high | 91 Ų | 91 | 63.8 Ų | 63.8 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 175 | -71.9 | 175.7 | 179.3 | 177.9 | 0 | 112.7 | W454 D604 E611 K612 | W454-K608 HydrophobicContact CB-CB 4.4Å; W454-K608 HydrophobicContact CB-CD 4.26Å; W454-K608 HydrophobicContact CE3-CB 4.07Å; W454-K608 WeakPolarHBondContact O-CD 3.47Å; W454-K608 PolarHBondContact O-NZ 3.06Å; D604-K608 WeakPolarHBondContact O-CG 3.45Å; D604-K608 PolarHBondContact O-N 3.24Å; D604-K608 VanDerWaalsContact O-N 3.08Å; K608-E611 PolarHBondContact O-N 3.14Å; K608-K612 PolarHBondContact O-N 3.25Å |
| 609 | F | 97.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 2% | 0.022 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 171.7 | -178.7 | -83.6 | 0 | 0 | 0 | 111.7 | W454 W601 S605 E606 E607 E611 K612 T613 I642 L746 W747 | W454-F609 HydrophobicContact CH2-CB 4.34Å; W454-F609 AromaticContact CH2-CD2 3.85Å; W454-F609 HydrophobicContact CH2-CD2 3.85Å; W454-F609 HydrophobicContact CZ3-CB 3.97Å; W454-F609 HydrophobicContact CZ3-CD2 4.34Å; W601-F609 AromaticContact CH2-CD2 3.65Å; W601-F609 HydrophobicContact CH2-CD2 3.65Å; W601-F609 HydrophobicContact CH2-CE2 4.13Å; W601-F609 HydrophobicContact CH2-CG 4.44Å; W601-F609 HydrophobicContact CZ3-CB 3.86Å; W601-F609 AromaticContact CZ3-CD2 3.63Å; W601-F609 HydrophobicContact CZ3-CD2 3.63Å; W601-F609 HydrophobicContact CZ3-CE2 4.49Å; W601-F609 HydrophobicContact CZ3-CG 4Å; S605-F609 WeakPolarHBondContact O-CB 3.5Å; S605-F609 PolarHBondContact O-N 2.82Å; E606-F609 WeakPolarHBondContact O-CB 3.47Å; E606-F609 PolarHBondContact O-N 2.67Å; E607-F609 VanDerWaalsContact C-N 3.3Å; E607-F609 PolarHBondContact O-N 3.18Å; F609-E611 VanDerWaalsContact C-N 3.3Å; F609-E611 PolarHBondContact O-N 2.64Å; F609-K612 PolarHBondContact O-N 3.21Å; F609-T613 HydrophobicContact CD1-CG2 3.96Å; F609-T613 HydrophobicContact CE1-CG2 3.59Å; F609-T613 HydrophobicContact CE2-CG2 4.34Å; F609-T613 HydrophobicContact CG-CG2 4.46Å; F609-T613 HydrophobicContact CZ-CG2 3.8Å; F609-T613 WeakPolarHBondContact O-CB 3.19Å; F609-T613 VanDerWaalsContact O-CG2 3.31Å; F609-T613 WeakPolarHBondContact O-CG2 3.29Å; F609-T613 PolarHBondContact O-N 3.08Å; F609-T613 PolarHBondContact O-OG1 3.4Å; F609-I642 HydrophobicContact CZ-CD1 4.13Å; F609-L746 HydrophobicContact CD2-CD1 3.84Å; F609-L746 HydrophobicContact CD2-CD2 4.26Å; F609-L746 HydrophobicContact CE2-CD1 4.1Å; F609-L746 HydrophobicContact CE2-CD2 3.65Å; F609-L746 HydrophobicContact CE2-CG 4.39Å; F609-L746 HydrophobicContact CZ-CD2 4.15Å; F609-W747 HydrophobicContact CE2-CZ2 4.3Å |
| 610 | K | 96.1 | Very high | 97.1 | Very high | 118 Ų | 118 | 55.3 Ų | 55.3 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 177.1 | -70 | 167 | -170.8 | 163.5 | 0 | 111.1 | E606 E607 T613 K614 | E606-K610 WeakPolarHBondContact O-CG 3.42Å; E606-K610 PolarHBondContact O-N 2.86Å; E607-K610 WeakPolarHBondContact O-CB 3.48Å; E607-K610 PolarHBondContact O-N 2.98Å; E607-K610 VanDerWaalsContact O-N 3.11Å; K610-T613 WeakPolarHBondContact CA-OG1 3.46Å; K610-T613 PolarHBondContact O-OG1 2.71Å; K610-K614 PolarHBondContact O-N 2.93Å; K610-K614 VanDerWaalsContact O-N 3.16Å |
| 611 | E | 95.8 | Very high | 97.3 | Very high | 146 Ų | 146 | 56.5 Ų | 56.5 | 68% | 0.682 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62 | -52.3 | 176.4 | -171.8 | -172.8 | 168.7 | 0 | 0 | 111.6 | E607 K608 F609 T613 K614 | E607-E611 PolarHBondContact O-N 3.13Å; K608-E611 PolarHBondContact O-N 3.14Å; F609-E611 VanDerWaalsContact C-N 3.3Å; F609-E611 PolarHBondContact O-N 2.64Å; E611-T613 PolarHBondContact O-N 3.1Å; E611-K614 VanDerWaalsContact O-CB 3.27Å; E611-K614 WeakPolarHBondContact O-CB 3.28Å; E611-K614 PolarHBondContact O-N 3.33Å |
| 612 | K | 96.1 | Very high | 97.4 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | -179.9 | -75 | -175.2 | 175.5 | -78.6 | 0 | 112.7 | W454 K608 F609 K614 C615 L746 | W454-K612 HydrophobicContact CB-CD 4.1Å; W454-K612 HydrophobicContact CD2-CD 3.97Å; W454-K612 HydrophobicContact CG-CD 3.6Å; K608-K612 PolarHBondContact O-N 3.25Å; F609-K612 PolarHBondContact O-N 3.21Å; K612-K614 VanDerWaalsContact C-N 3.25Å; K612-K614 PolarHBondContact O-N 3.24Å; K612-C615 VanDerWaalsContact O-CB 3.3Å; K612-C615 WeakPolarHBondContact O-CB 3.42Å; K612-C615 PolarHBondContact O-N 3.12Å; K612-L746 HydrophobicContact CB-CD1 3.97Å; K612-L746 HydrophobicContact CD-CD1 4.44Å |
| 613 | T | 97.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.043 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.5 | -23.6 | 178.9 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | F609 K610 E611 C615 M616 I617 I642 L746 | F609-T613 HydrophobicContact CD1-CG2 3.96Å; F609-T613 HydrophobicContact CE1-CG2 3.59Å; F609-T613 HydrophobicContact CE2-CG2 4.34Å; F609-T613 HydrophobicContact CG-CG2 4.46Å; F609-T613 HydrophobicContact CZ-CG2 3.8Å; F609-T613 WeakPolarHBondContact O-CB 3.19Å; F609-T613 VanDerWaalsContact O-CG2 3.31Å; F609-T613 WeakPolarHBondContact O-CG2 3.29Å; F609-T613 PolarHBondContact O-N 3.08Å; F609-T613 PolarHBondContact O-OG1 3.4Å; K610-T613 WeakPolarHBondContact CA-OG1 3.46Å; K610-T613 PolarHBondContact O-OG1 2.71Å; E611-T613 PolarHBondContact O-N 3.1Å; T613-C615 PolarHBondContact O-N 3.14Å; T613-M616 PolarHBondContact O-N 3.12Å; T613-M616 VanDerWaalsContact O-N 3.1Å; T613-I617 WeakPolarHBondContact O-CG1 3.28Å; T613-I617 PolarHBondContact O-N 3.06Å; T613-I642 HydrophobicContact CG2-CD1 3.66Å; T613-I642 HydrophobicContact CG2-CG1 4.32Å; T613-L746 HydrophobicContact CG2-CD1 4.29Å; T613-L746 HydrophobicContact CG2-CD2 3.99Å |
| 614 | K | 97.9 | Very high | 97.6 | Very high | 131 Ų | 131 | 62.9 Ų | 62.9 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.2 | -33 | 172 | -168.8 | 175.2 | 179.3 | -179.3 | 0 | 112.3 | K610 E611 K612 I617 N618 | K610-K614 PolarHBondContact O-N 2.93Å; K610-K614 VanDerWaalsContact O-N 3.16Å; E611-K614 VanDerWaalsContact O-CB 3.27Å; E611-K614 WeakPolarHBondContact O-CB 3.28Å; E611-K614 PolarHBondContact O-N 3.33Å; K612-K614 VanDerWaalsContact C-N 3.25Å; K612-K614 PolarHBondContact O-N 3.24Å; K614-I617 PolarHBondContact O-N 3.01Å; K614-N618 WeakPolarHBondContact O-CB 3.39Å; K614-N618 PolarHBondContact O-N 3.38Å; K614-N618 PolarHBondContact O-ND2 3Å |
| 615 | C | 97.8 | Very high | 97.6 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 29% | 0.291 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.1 | -51.6 | 173.3 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | K612 T613 N618 Q619 C744 | K612-C615 VanDerWaalsContact O-CB 3.3Å; K612-C615 WeakPolarHBondContact O-CB 3.42Å; K612-C615 PolarHBondContact O-N 3.12Å; T613-C615 PolarHBondContact O-N 3.14Å; C615-N618 PolarHBondContact O-N 3.28Å; C615-Q619 WeakPolarHBondContact O-CB 3.26Å; C615-Q619 PolarHBondContact O-N 3.47Å; C615-C744 HydrophobicContact CB-CB 3.8Å; C615-C744 WeakPolarHBondContact CB-SG 3.18Å; C615-C744 PolarHBondContact O-SG 2.98Å; C615-C744 VanDerWaalsContact O-SG 3.35Å; C615-C744 WeakPolarHBondContact SG-CA 3.28Å; C615-C744 WeakPolarHBondContact SG-CB 3.35Å; C615-C744 CovalentContact SG-SG 2.05Å; C615-C744 PolarHBondContact SG-SG 2.84Å |
| 616 | M | 98 | Very high | 97.5 | Very high | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | -180 | -68.2 | -178.4 | 177.8 | 0 | 0 | 112 | T613 N618 Q619 Y620 L638 I642 N645 C744 L746 | T613-M616 PolarHBondContact O-N 3.12Å; T613-M616 VanDerWaalsContact O-N 3.1Å; M616-N618 VanDerWaalsContact C-N 3.3Å; M616-N618 PolarHBondContact O-N 3.2Å; M616-Q619 PolarHBondContact O-N 3.26Å; M616-Y620 WeakPolarHBondContact O-CB 3.42Å; M616-Y620 VanDerWaalsContact O-CD2 3.24Å; M616-Y620 WeakPolarHBondContact O-CD2 3.46Å; M616-Y620 PolarHBondContact O-N 3.24Å; M616-L638 HydrophobicContact CB-CD1 4.08Å; M616-I642 HydrophobicContact SD-CG1 3.77Å; M616-N645 HydrophobicContact CE-CB 3.71Å; M616-C744 HydrophobicContact CE-CB 4.35Å; M616-C744 HydrophobicContact CG-CB 3.67Å; M616-L746 HydrophobicContact CE-CB 4.31Å |
| 617 | I | 98.4 | Very high | 97.5 | Very high | 43 Ų | 43 | 71.2 Ų | 71.2 | 22% | 0.221 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 174.2 | -64.4 | 173.2 | 0 | 0 | 0 | 110.1 | T613 K614 S621 K635 L638 | T613-I617 WeakPolarHBondContact O-CG1 3.28Å; T613-I617 PolarHBondContact O-N 3.06Å; K614-I617 PolarHBondContact O-N 3.01Å; I617-S621 VanDerWaalsContact O-CB 3.24Å; I617-S621 WeakPolarHBondContact O-CB 3.35Å; I617-S621 PolarHBondContact O-N 2.76Å; I617-S621 PolarHBondContact O-OG 3.26Å; I617-K635 HydrophobicContact CG2-CB 4.43Å; I617-L638 HydrophobicContact CD1-CD2 3.89Å; I617-L638 HydrophobicContact CG1-CD1 3.81Å; I617-L638 HydrophobicContact CG1-CD2 3.93Å; I617-L638 HydrophobicContact CG1-CG 4.32Å |
| 618 | N | 98.5 | Very high | 97.5 | Very high | 82 Ų | 82 | 66.2 Ų | 66.2 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.9 | -47.7 | -177.9 | -69.1 | -12.6 | 0 | 0 | 0 | 111.6 | K614 C615 M616 Y620 S621 N622 | K614-N618 WeakPolarHBondContact O-CB 3.39Å; K614-N618 PolarHBondContact O-N 3.38Å; K614-N618 PolarHBondContact O-ND2 3Å; C615-N618 PolarHBondContact O-N 3.28Å; M616-N618 VanDerWaalsContact C-N 3.3Å; M616-N618 PolarHBondContact O-N 3.2Å; N618-Y620 PolarHBondContact O-N 3.26Å; N618-S621 PolarHBondContact O-N 2.91Å; N618-N622 VanDerWaalsContact O-CG 3.26Å; N618-N622 PolarHBondContact O-N 3.33Å; N618-N622 VanDerWaalsContact O-N 3.13Å; N618-N622 PolarHBondContact O-ND2 3.05Å |
| 619 | Q | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -52.7 | -54.5 | 177.5 | 176 | -173 | 17.1 | 0 | 0 | 110.6 | C615 M616 N622 Y623 G717 N721 C744 | C615-Q619 WeakPolarHBondContact O-CB 3.26Å; C615-Q619 PolarHBondContact O-N 3.47Å; M616-Q619 PolarHBondContact O-N 3.26Å; Q619-N622 PolarHBondContact O-N 2.94Å; Q619-Y623 HydrophobicContact CG-CE2 4.18Å; Q619-Y623 WeakPolarHBondContact CG-OH 3.45Å; Q619-Y623 PolarHBondContact NE2-OH 2.95Å; Q619-G717 PolarHBondContact NE2-O 3.38Å; Q619-N721 PolarHBondContact NE2-ND2 3.45Å; Q619-N721 PolarHBondContact NE2-OD1 2.88Å; Q619-N721 PolarHBondContact OE1-ND2 2.69Å; Q619-N721 PolarHBondContact OE1-OD1 2.85Å; Q619-C744 PolarHBondContact OE1-SG 2.94Å |
| 620 | Y | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.1 | -33.8 | -174.9 | -76.8 | -102 | 0 | 0 | 0 | 112.1 | M616 N618 N622 Y623 V632 N641 N645 S709 F713 A718 | M616-Y620 WeakPolarHBondContact O-CB 3.42Å; M616-Y620 VanDerWaalsContact O-CD2 3.24Å; M616-Y620 WeakPolarHBondContact O-CD2 3.46Å; M616-Y620 PolarHBondContact O-N 3.24Å; N618-Y620 PolarHBondContact O-N 3.26Å; Y620-N622 PolarHBondContact O-N 2.85Å; Y620-Y623 AromaticContact CD1-CD2 3.93Å; Y620-Y623 HydrophobicContact CD1-CD2 3.93Å; Y620-Y623 AromaticContact CD1-CE2 3.84Å; Y620-Y623 HydrophobicContact CD1-CE2 3.84Å; Y620-Y623 HydrophobicContact CD2-CE2 4.46Å; Y620-Y623 HydrophobicContact CE1-CE2 4.22Å; Y620-Y623 HydrophobicContact CG-CD2 4.18Å; Y620-Y623 HydrophobicContact CG-CE2 4.01Å; Y620-Y623 WeakPolarHBondContact O-CB 3.35Å; Y620-Y623 PolarHBondContact O-N 3.21Å; Y620-Y623 VanDerWaalsContact O-N 3.08Å; Y620-V632 WeakPolarHBondContact O-CB 3.49Å; Y620-N641 WeakPolarHBondContact CB-ND2 3.49Å; Y620-N641 WeakPolarHBondContact CD1-ND2 3.21Å; Y620-N641 WeakPolarHBondContact CD1-OD1 3.44Å; Y620-N641 HydrophobicContact CD2-CB 4.21Å; Y620-N641 WeakPolarHBondContact CD2-ND2 3.47Å; Y620-N641 HydrophobicContact CE1-CB 4.23Å; Y620-N641 VanDerWaalsContact CE1-CG 3.45Å; Y620-N641 VanDerWaalsContact CE1-OD1 3.23Å; Y620-N641 WeakPolarHBondContact CE1-OD1 3.47Å; Y620-N641 HydrophobicContact CE2-CB 3.85Å; Y620-N645 PolarHBondContact OH-ND2 2.89Å; Y620-N645 VanDerWaalsContact OH-ND2 3.13Å; Y620-S709 VanDerWaalsContact CD1-OG 3.24Å; Y620-S709 WeakPolarHBondContact CD1-OG 3.38Å; Y620-F713 WeakPolarHBondContact CE1-O 3.5Å; Y620-A718 PolarHBondContact OH-N 2.94Å |
| 621 | S | 98.6 | Very high | 97.5 | Very high | 39 Ų | 39 | 64.4 Ų | 64.4 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.3 | -25.8 | 175.2 | -56 | 0 | 0 | 0 | 0 | 113.3 | I617 N618 Y623 H631 V632 G634 | I617-S621 VanDerWaalsContact O-CB 3.24Å; I617-S621 WeakPolarHBondContact O-CB 3.35Å; I617-S621 PolarHBondContact O-N 2.76Å; I617-S621 PolarHBondContact O-OG 3.26Å; N618-S621 PolarHBondContact O-N 2.91Å; S621-Y623 VanDerWaalsContact C-N 3.26Å; S621-Y623 PolarHBondContact O-N 3.44Å; S621-H631 PolarHBondContact O-ND1 2.79Å; S621-V632 WeakPolarHBondContact CA-O 3.39Å; S621-G634 WeakPolarHBondContact OG-CA 3.46Å; S621-G634 PolarHBondContact OG-N 3.08Å |
| 622 | N | 98.1 | Very high | 97.6 | Very high | 123 Ų | 123 | 57.7 Ų | 57.7 | 66% | 0.658 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -13.7 | 176.7 | -70.5 | -15.2 | 0 | 0 | 0 | 113.3 | N618 Q619 Y620 Y624 | N618-N622 VanDerWaalsContact O-CG 3.26Å; N618-N622 PolarHBondContact O-N 3.33Å; N618-N622 VanDerWaalsContact O-N 3.13Å; N618-N622 PolarHBondContact O-ND2 3.05Å; Q619-N622 PolarHBondContact O-N 2.94Å; Y620-N622 PolarHBondContact O-N 2.85Å; N622-Y624 PolarHBondContact O-N 3.48Å |
| 623 | Y | 98.4 | Very high | 97.7 | Very high | 32 Ų | 32 | 57 Ų | 57 | 13% | 0.125 | 28% | 0.279 | C | S | . | . | trans | -75.8 | 112.8 | 177.8 | -64.8 | -39.8 | 0 | 0 | 0 | 111.8 | Q619 Y620 S621 H631 V632 F713 | Q619-Y623 HydrophobicContact CG-CE2 4.18Å; Q619-Y623 WeakPolarHBondContact CG-OH 3.45Å; Q619-Y623 PolarHBondContact NE2-OH 2.95Å; Y620-Y623 AromaticContact CD1-CD2 3.93Å; Y620-Y623 HydrophobicContact CD1-CD2 3.93Å; Y620-Y623 AromaticContact CD1-CE2 3.84Å; Y620-Y623 HydrophobicContact CD1-CE2 3.84Å; Y620-Y623 HydrophobicContact CD2-CE2 4.46Å; Y620-Y623 HydrophobicContact CE1-CE2 4.22Å; Y620-Y623 HydrophobicContact CG-CD2 4.18Å; Y620-Y623 HydrophobicContact CG-CE2 4.01Å; Y620-Y623 WeakPolarHBondContact O-CB 3.35Å; Y620-Y623 PolarHBondContact O-N 3.21Å; Y620-Y623 VanDerWaalsContact O-N 3.08Å; S621-Y623 VanDerWaalsContact C-N 3.26Å; S621-Y623 PolarHBondContact O-N 3.44Å; Y623-H631 WeakPolarHBondContact O-CA 3.32Å; Y623-V632 PolarHBondContact O-N 2.94Å; Y623-F713 AromaticContact CD1-CD1 3.88Å; Y623-F713 HydrophobicContact CD1-CD1 3.88Å; Y623-F713 AromaticContact CD1-CE1 3.95Å; Y623-F713 HydrophobicContact CD1-CE1 3.95Å; Y623-F713 HydrophobicContact CD2-CB 3.82Å; Y623-F713 AromaticContact CD2-CD1 3.69Å; Y623-F713 HydrophobicContact CD2-CD1 3.69Å; Y623-F713 HydrophobicContact CD2-CE1 4.43Å; Y623-F713 AromaticContact CD2-CG 3.8Å; Y623-F713 HydrophobicContact CD2-CG 3.8Å; Y623-F713 HydrophobicContact CE1-CD1 4.46Å; Y623-F713 HydrophobicContact CE2-CB 4.27Å; Y623-F713 HydrophobicContact CE2-CD1 4.3Å; Y623-F713 HydrophobicContact CG-CB 4.45Å; Y623-F713 AromaticContact CG-CD1 3.48Å; Y623-F713 HydrophobicContact CG-CD1 3.48Å; Y623-F713 VanDerWaalsContact CG-CD1 3.48Å; Y623-F713 AromaticContact CG-CE1 3.76Å; Y623-F713 HydrophobicContact CG-CE1 3.76Å; Y623-F713 AromaticContact CG-CG 3.92Å; Y623-F713 HydrophobicContact CG-CG 3.92Å; Y623-F713 HydrophobicContact CG-CZ 4.38Å | ||
| 624 | Y | 98.2 | Very high | 97.6 | Very high | 121 Ų | 121 | 56.7 Ų | 56.7 | 48% | 0.475 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 119.9 | 171.5 | -178.2 | -108.9 | 0 | 0 | 0 | 111 | N622 K626 G629 H631 | N622-Y624 PolarHBondContact O-N 3.48Å; Y624-K626 HydrophobicContact CE1-CB 4.27Å; Y624-K626 PolarHBondContact O-N 3.27Å; Y624-G629 VanDerWaalsContact CE2-C 3.48Å; Y624-G629 WeakPolarHBondContact OH-CA 3.43Å; Y624-H631 AromaticContact CD2-CD2 3.59Å; Y624-H631 AromaticContact CD2-NE2 3.65Å |
| 625 | W | 97.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 98.6 | 174.2 | -162.1 | 6.2 | 0 | 0 | 0 | 110.8 | R627 A628 G629 L630 F694 A699 Q702 I703 P710 F713 | W625-R627 HydrophobicContact CD2-CB 4.44Å; W625-R627 HydrophobicContact CG-CB 4.4Å; W625-R627 PolarHBondContact O-N 2.82Å; W625-A628 HydrophobicContact CB-CB 4.14Å; W625-A628 HydrophobicContact CD2-CB 4.21Å; W625-A628 HydrophobicContact CE3-CB 3.93Å; W625-A628 HydrophobicContact CG-CB 4.31Å; W625-A628 PolarHBondContact O-N 3.45Å; W625-G629 PolarHBondContact O-N 3.11Å; W625-L630 PolarHBondContact N-O 3.03Å; W625-F694 HydrophobicContact CH2-CB 4.08Å; W625-F694 HydrophobicContact CH2-CD1 4.22Å; W625-F694 AromaticContact CH2-CD2 3.59Å; W625-F694 HydrophobicContact CH2-CD2 3.59Å; W625-F694 HydrophobicContact CH2-CE2 4.03Å; W625-F694 AromaticContact CH2-CG 3.7Å; W625-F694 HydrophobicContact CH2-CG 3.7Å; W625-F694 HydrophobicContact CZ2-CB 4.25Å; W625-F694 AromaticContact CZ2-CD2 3.9Å; W625-F694 HydrophobicContact CZ2-CD2 3.9Å; W625-F694 HydrophobicContact CZ2-CG 4.2Å; W625-A699 HydrophobicContact CD2-CB 4.44Å; W625-A699 HydrophobicContact CE3-CB 4.11Å; W625-A699 HydrophobicContact CH2-CB 3.75Å; W625-A699 HydrophobicContact CZ2-CB 4.08Å; W625-A699 HydrophobicContact CZ3-CB 3.76Å; W625-Q702 HydrophobicContact CZ3-CB 4.21Å; W625-Q702 HydrophobicContact CZ3-CG 4.17Å; W625-I703 HydrophobicContact CE3-CD1 3.95Å; W625-I703 HydrophobicContact CE3-CG1 4.05Å; W625-P710 HydrophobicContact CD2-CB 4.03Å; W625-P710 HydrophobicContact CD2-CG 4.05Å; W625-P710 HydrophobicContact CE3-CB 3.63Å; W625-P710 HydrophobicContact CE3-CG 3.33Å; W625-P710 HydrophobicContact CH2-CB 3.86Å; W625-P710 HydrophobicContact CH2-CG 4.34Å; W625-P710 HydrophobicContact CZ2-CB 4.24Å; W625-P710 HydrophobicContact CZ3-CB 3.55Å; W625-P710 HydrophobicContact CZ3-CG 3.51Å; W625-F713 HydrophobicContact CB-CE2 3.9Å; W625-F713 HydrophobicContact CB-CZ 4.5Å; W625-F713 HydrophobicContact CG-CE2 4.19Å |
| 626 | K | 96.7 | Very high | 97.5 | Very high | 183 Ų | 183 | 55.2 Ų | 55.2 | 80% | 0.796 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -35.7 | 179 | -173.6 | 179 | 178.9 | -179 | 0 | 113.6 | Y624 A628 G629 | Y624-K626 HydrophobicContact CE1-CB 4.27Å; Y624-K626 PolarHBondContact O-N 3.27Å; K626-A628 VanDerWaalsContact C-N 3.33Å; K626-A628 PolarHBondContact O-N 3.46Å; K626-G629 PolarHBondContact O-N 3Å |
| 627 | R | 96 | Very high | 97.5 | Very high | 119 Ų | 119 | 55.2 Ų | 55.2 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -34.7 | 179.4 | -173.1 | 57.4 | 164.4 | -175.1 | -5.6 | 113.1 | W625 F694 P696 A699 | W625-R627 HydrophobicContact CD2-CB 4.44Å; W625-R627 HydrophobicContact CG-CB 4.4Å; W625-R627 PolarHBondContact O-N 2.82Å; R627-F694 VanDerWaalsContact CZ-O 3.31Å; R627-F694 PolarHBondContact NE-O 2.88Å; R627-F694 PolarHBondContact NH2-O 2.96Å; R627-P696 VanDerWaalsContact CZ-CD 3.42Å; R627-A699 HydrophobicContact CB-CB 4.26Å; R627-A699 HydrophobicContact CG-CB 3.77Å |
| 628 | A | 96 | Very high | 97.4 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -18.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | W625 K626 L630 A699 I703 | W625-A628 HydrophobicContact CB-CB 4.14Å; W625-A628 HydrophobicContact CD2-CB 4.21Å; W625-A628 HydrophobicContact CE3-CB 3.93Å; W625-A628 HydrophobicContact CG-CB 4.31Å; W625-A628 PolarHBondContact O-N 3.45Å; K626-A628 VanDerWaalsContact C-N 3.33Å; K626-A628 PolarHBondContact O-N 3.46Å; A628-L630 VanDerWaalsContact C-N 3.25Å; A628-L630 HydrophobicContact CB-CB 4.42Å; A628-L630 PolarHBondContact O-N 3.05Å; A628-A699 HydrophobicContact CB-CB 3.94Å; A628-A699 WeakPolarHBondContact CB-O 3.44Å; A628-I703 HydrophobicContact CB-CG1 3.83Å |
| 629 | G | 95.9 | Very high | 97.4 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 40% | 0.402 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 20.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y624 W625 K626 | Y624-G629 VanDerWaalsContact CE2-C 3.48Å; Y624-G629 WeakPolarHBondContact OH-CA 3.43Å; W625-G629 PolarHBondContact O-N 3.11Å; K626-G629 PolarHBondContact O-N 3Å |
| 630 | L | 96.8 | Very high | 97.4 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 155.8 | -170.3 | -65.5 | 174.1 | 0 | 0 | 0 | 112.4 | W625 A628 R700 I703 H704 | W625-L630 PolarHBondContact N-O 3.03Å; A628-L630 VanDerWaalsContact C-N 3.25Å; A628-L630 HydrophobicContact CB-CB 4.42Å; A628-L630 PolarHBondContact O-N 3.05Å; L630-R700 HydrophobicContact CD1-CG 3.91Å; L630-I703 HydrophobicContact CB-CB 4.42Å; L630-I703 HydrophobicContact CB-CG1 4.32Å; L630-I703 HydrophobicContact CB-CG2 3.88Å; L630-I703 HydrophobicContact CD1-CB 4.11Å; L630-I703 HydrophobicContact CD1-CG2 3.86Å; L630-H704 WeakPolarHBondContact CD1-NE2 3.31Å |
| 631 | H | 98 | Very high | 97.4 | Very high | 101 Ų | 101 | 51.8 Ų | 51.8 | 47% | 0.468 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 146.6 | 167.4 | -79.3 | -97.2 | 0 | 0 | 0 | 111.5 | S621 Y623 Y624 I703 | S621-H631 PolarHBondContact O-ND1 2.79Å; Y623-H631 WeakPolarHBondContact O-CA 3.32Å; Y624-H631 AromaticContact CD2-CD2 3.59Å; Y624-H631 AromaticContact CD2-NE2 3.65Å; H631-I703 VanDerWaalsContact O-CG2 3.31Å; H631-I703 WeakPolarHBondContact O-CG2 3.38Å |
| 632 | V | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | trans | -61.9 | 138.4 | 169.7 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | Y620 S621 Y623 G634 T637 I703 P710 F713 | Y620-V632 WeakPolarHBondContact O-CB 3.49Å; S621-V632 WeakPolarHBondContact CA-O 3.39Å; Y623-V632 PolarHBondContact O-N 2.94Å; V632-G634 PolarHBondContact O-N 2.79Å; V632-G634 VanDerWaalsContact O-N 3.11Å; V632-T637 HydrophobicContact CG1-CG2 4.14Å; V632-I703 HydrophobicContact CG2-CD1 3.95Å; V632-P710 HydrophobicContact CG2-CG 4Å; V632-F713 HydrophobicContact CG2-CD2 3.54Å; V632-F713 HydrophobicContact CG2-CE2 3.86Å; V632-F713 HydrophobicContact CG2-CG 4.41Å | ||
| 633 | K | 97.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 44.1 Ų | 44.1 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | trans | -84.4 | 81 | 177.5 | -65.1 | -173.8 | 177.9 | -168.5 | 0 | 110 | E231 K635 R636 T637 I703 | E231-K633 IonicContact OE1-NZ 3.75Å; E231-K633 PolarHBondContact OE1-NZ 3.26Å; K633-K635 PolarHBondContact O-N 2.76Å; K633-K635 VanDerWaalsContact O-N 3.08Å; K633-R636 HydrophobicContact CB-CB 3.72Å; K633-R636 WeakPolarHBondContact O-CA 3.44Å; K633-R636 VanDerWaalsContact O-CB 3.29Å; K633-R636 WeakPolarHBondContact O-CB 3.2Å; K633-R636 PolarHBondContact O-N 3.47Å; K633-T637 PolarHBondContact O-N 3.23Å; K633-T637 PolarHBondContact O-OG1 3.39Å; K633-I703 HydrophobicContact CG-CG2 4.35Å | ||
| 634 | G | 97.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S621 V632 L638 | S621-G634 WeakPolarHBondContact OG-CA 3.46Å; S621-G634 PolarHBondContact OG-N 3.08Å; V632-G634 PolarHBondContact O-N 2.79Å; V632-G634 VanDerWaalsContact O-N 3.11Å; G634-L638 PolarHBondContact O-N 3.16Å |
| 635 | K | 96.2 | Very high | 97.5 | Very high | 112 Ų | 112 | 37.1 Ų | 37.1 | 49% | 0.487 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -39.6 | 172.6 | -173.8 | -176 | 176.5 | -166.3 | 0 | 112.3 | E287 N288 I617 K633 L638 | E287-K635 HydrophobicContact CB-CD 4.14Å; E287-K635 HydrophobicContact CB-CG 4.25Å; E287-K635 HydrophobicContact CG-CD 4.49Å; E287-K635 WeakPolarHBondContact O-CE 3.23Å; E287-K635 PolarHBondContact O-NZ 2.83Å; N288-K635 PolarHBondContact OD1-NZ 3.27Å; I617-K635 HydrophobicContact CG2-CB 4.43Å; K633-K635 PolarHBondContact O-N 2.76Å; K633-K635 VanDerWaalsContact O-N 3.08Å; K635-L638 WeakPolarHBondContact O-CB 3.49Å |
| 636 | R | 95.7 | Very high | 97.5 | Very high | 30 Ų | 30 | 36.1 Ų | 36.1 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -42.7 | 178.7 | -179.6 | -177.6 | -173.2 | 96.8 | 9.3 | 110.9 | Y286 E287 K633 L638 H704 I705 G706 | Y286-R636 VanDerWaalsContact CB-NH1 3.32Å; Y286-R636 HydrophobicContact CD1-CG 3.85Å; Y286-R636 HydrophobicContact CE1-CG 4.31Å; E287-R636 IonicContact OE2-NH1 3.67Å; K633-R636 HydrophobicContact CB-CB 3.72Å; K633-R636 WeakPolarHBondContact O-CA 3.44Å; K633-R636 VanDerWaalsContact O-CB 3.29Å; K633-R636 WeakPolarHBondContact O-CB 3.2Å; K633-R636 PolarHBondContact O-N 3.47Å; R636-L638 VanDerWaalsContact C-N 3.29Å; R636-L638 PolarHBondContact O-N 3.31Å; R636-H704 PolarHBondContact NE-O 3.4Å; R636-H704 PolarHBondContact NH1-O 2.84Å; R636-I705 VanDerWaalsContact NH2-CA 3.27Å; R636-I705 PolarHBondContact NH2-O 3.16Å; R636-G706 VanDerWaalsContact CD-O 3.3Å; R636-G706 WeakPolarHBondContact CD-O 2.99Å; R636-G706 PolarHBondContact NE-O 3.15Å |
| 637 | T | 97.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5.6 | -175.3 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | V632 K633 A639 E640 N641 A707 S709 | V632-T637 HydrophobicContact CG1-CG2 4.14Å; K633-T637 PolarHBondContact O-N 3.23Å; K633-T637 PolarHBondContact O-OG1 3.39Å; T637-A639 PolarHBondContact O-N 3.5Å; T637-E640 PolarHBondContact O-N 3.28Å; T637-N641 WeakPolarHBondContact O-CB 3.36Å; T637-N641 PolarHBondContact O-N 3.49Å; T637-N641 PolarHBondContact O-ND2 2.94Å; T637-N641 PolarHBondContact O-OD1 3.26Å; T637-N641 PolarHBondContact OG1-ND2 2.93Å; T637-A707 VanDerWaalsContact CA-O 3.26Å; T637-A707 WeakPolarHBondContact CA-O 3.37Å; T637-S709 WeakPolarHBondContact CB-OG 3.5Å; T637-S709 PolarHBondContact OG1-OG 2.88Å |
| 638 | L | 97.9 | Very high | 97.7 | Very high | 16 Ų | 16 | 21.8 Ų | 21.8 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | -168.5 | 179.9 | 59.7 | 0 | 0 | 0 | 113.2 | M616 I617 G634 K635 R636 N641 I642 | M616-L638 HydrophobicContact CB-CD1 4.08Å; I617-L638 HydrophobicContact CD1-CD2 3.89Å; I617-L638 HydrophobicContact CG1-CD1 3.81Å; I617-L638 HydrophobicContact CG1-CD2 3.93Å; I617-L638 HydrophobicContact CG1-CG 4.32Å; G634-L638 PolarHBondContact O-N 3.16Å; K635-L638 WeakPolarHBondContact O-CB 3.49Å; R636-L638 VanDerWaalsContact C-N 3.29Å; R636-L638 PolarHBondContact O-N 3.31Å; L638-N641 PolarHBondContact O-N 3.45Å; L638-I642 HydrophobicContact CD1-CD1 3.94Å; L638-I642 HydrophobicContact CD1-CG1 4.11Å; L638-I642 HydrophobicContact CG-CD1 3.85Å; L638-I642 HydrophobicContact CG-CG1 4.45Å; L638-I642 VanDerWaalsContact O-CG1 3.27Å; L638-I642 WeakPolarHBondContact O-CG1 3.46Å; L638-I642 PolarHBondContact O-N 2.98Å |
| 639 | A | 97.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 21.9 Ų | 21.9 | 14% | 0.14 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.3 | D585 T637 N641 I642 A643 | D585-A639 HydrophobicContact CB-CB 4.43Å; T637-A639 PolarHBondContact O-N 3.5Å; A639-N641 PolarHBondContact O-N 3.04Å; A639-I642 PolarHBondContact O-N 3.22Å; A639-A643 PolarHBondContact O-N 2.97Å |
| 640 | E | 98.3 | Very high | 98 | Very high | 24 Ų | 24 | 20 Ų | 20 | 11% | 0.112 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.1 | -37.2 | 178.1 | -56.3 | -52.8 | 147.5 | 0 | 0 | 112.6 | H578 H582 T637 A643 D644 A707 H708 | H578-E640 IonicContact CE1-OE2 2.69Å; H578-E640 PolarHBondContact CE1-OE2 3.48Å; H578-E640 VanDerWaalsContact CE1-OE2 3.32Å; H578-E640 IonicContact NE2-OE2 2.87Å; H578-E640 PolarHBondContact NE2-OE2 2.83Å; H582-E640 VanDerWaalsContact CE1-CD 3.45Å; H582-E640 IonicContact CE1-OE1 2.65Å; H582-E640 PolarHBondContact CE1-OE1 3.49Å; H582-E640 IonicContact CE1-OE2 2.77Å; H582-E640 PolarHBondContact CE1-OE2 2.76Å; H582-E640 IonicContact NE2-OE1 3.15Å; H582-E640 IonicContact NE2-OE2 3.54Å; H582-E640 PolarHBondContact NE2-OE2 2.9Å; T637-E640 PolarHBondContact O-N 3.28Å; E640-A643 PolarHBondContact O-N 2.91Å; E640-D644 WeakPolarHBondContact O-CB 3.44Å; E640-D644 PolarHBondContact O-N 3Å; E640-A707 HydrophobicContact CG-CB 4.35Å; E640-A707 WeakPolarHBondContact CG-O 3.36Å; E640-H708 HydrophobicContact CG-CB 4.37Å; E640-H708 IonicContact OE2-CD2 2.74Å; E640-H708 PolarHBondContact OE2-CD2 3.21Å; E640-H708 IonicContact OE2-CE1 3.38Å; E640-H708 IonicContact OE2-NE2 2.65Å; E640-H708 PolarHBondContact OE2-NE2 3.5Å |
| 641 | N | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.1 | -39.7 | 177.3 | -66.5 | -16.4 | 0 | 0 | 0 | 111.4 | Y620 T637 L638 A639 A643 N645 S709 | Y620-N641 WeakPolarHBondContact CB-ND2 3.49Å; Y620-N641 WeakPolarHBondContact CD1-ND2 3.21Å; Y620-N641 WeakPolarHBondContact CD1-OD1 3.44Å; Y620-N641 HydrophobicContact CD2-CB 4.21Å; Y620-N641 WeakPolarHBondContact CD2-ND2 3.47Å; Y620-N641 HydrophobicContact CE1-CB 4.23Å; Y620-N641 VanDerWaalsContact CE1-CG 3.45Å; Y620-N641 VanDerWaalsContact CE1-OD1 3.23Å; Y620-N641 WeakPolarHBondContact CE1-OD1 3.47Å; Y620-N641 HydrophobicContact CE2-CB 3.85Å; T637-N641 WeakPolarHBondContact O-CB 3.36Å; T637-N641 PolarHBondContact O-N 3.49Å; T637-N641 PolarHBondContact O-ND2 2.94Å; T637-N641 PolarHBondContact O-OD1 3.26Å; T637-N641 PolarHBondContact OG1-ND2 2.93Å; L638-N641 PolarHBondContact O-N 3.45Å; A639-N641 PolarHBondContact O-N 3.04Å; N641-A643 VanDerWaalsContact C-N 3.34Å; N641-N645 WeakPolarHBondContact O-CB 3.35Å; N641-N645 PolarHBondContact O-N 2.98Å; N641-N645 VanDerWaalsContact O-N 3.13Å; N641-N645 PolarHBondContact O-ND2 2.88Å; N641-S709 PolarHBondContact ND2-OG 3.11Å; N641-S709 WeakPolarHBondContact OD1-CB 3.48Å; N641-S709 PolarHBondContact OD1-OG 3.23Å |
| 642 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 172.9 | -71.9 | 164.5 | 0 | 0 | 0 | 109.7 | T581 D585 F609 T613 M616 L638 A639 N645 G646 L746 | T581-I642 HydrophobicContact CG2-CG2 3.92Å; D585-I642 HydrophobicContact CB-CB 4.36Å; D585-I642 HydrophobicContact CB-CG2 4.05Å; F609-I642 HydrophobicContact CZ-CD1 4.13Å; T613-I642 HydrophobicContact CG2-CD1 3.66Å; T613-I642 HydrophobicContact CG2-CG1 4.32Å; M616-I642 HydrophobicContact SD-CG1 3.77Å; L638-I642 HydrophobicContact CD1-CD1 3.94Å; L638-I642 HydrophobicContact CD1-CG1 4.11Å; L638-I642 HydrophobicContact CG-CD1 3.85Å; L638-I642 HydrophobicContact CG-CG1 4.45Å; L638-I642 VanDerWaalsContact O-CG1 3.27Å; L638-I642 WeakPolarHBondContact O-CG1 3.46Å; L638-I642 PolarHBondContact O-N 2.98Å; A639-I642 PolarHBondContact O-N 3.22Å; I642-N645 PolarHBondContact O-N 2.9Å; I642-G646 PolarHBondContact O-N 3.42Å; I642-L746 HydrophobicContact CB-CD2 4.44Å; I642-L746 HydrophobicContact CD1-CD2 4.05Å; I642-L746 HydrophobicContact CG1-CD2 3.95Å; I642-L746 HydrophobicContact CG2-CD2 3.65Å |
| 643 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | H578 A639 E640 N641 N645 G646 G647 | H578-A643 VanDerWaalsContact CE1-CB 3.41Å; H578-A643 WeakPolarHBondContact CE1-CB 3.22Å; H578-A643 WeakPolarHBondContact O-CB 3.38Å; A639-A643 PolarHBondContact O-N 2.97Å; E640-A643 PolarHBondContact O-N 2.91Å; N641-A643 VanDerWaalsContact C-N 3.34Å; A643-N645 VanDerWaalsContact C-N 3.35Å; A643-N645 PolarHBondContact O-N 2.94Å; A643-G646 PolarHBondContact O-N 3.26Å; A643-G647 PolarHBondContact O-N 3.47Å |
| 644 | D | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 175.4 | -86.4 | -42.4 | 0 | 0 | 0 | 112 | H578 E640 L648 R690 R714 A718 | H578-D644 IonicContact CE1-OD1 2.66Å; H578-D644 PolarHBondContact ND1-N 3.19Å; H578-D644 IonicContact ND1-OD1 3.7Å; H578-D644 PolarHBondContact ND1-OD1 3.02Å; E640-D644 WeakPolarHBondContact O-CB 3.44Å; E640-D644 PolarHBondContact O-N 3Å; D644-L648 VanDerWaalsContact O-CB 3.27Å; D644-L648 WeakPolarHBondContact O-CB 3.47Å; D644-L648 PolarHBondContact O-N 2.9Å; D644-R690 IonicContact OD1-CZ 3.74Å; D644-R690 IonicContact OD1-NE 3.69Å; D644-R690 IonicContact OD1-NH2 3.84Å; D644-R690 PolarHBondContact OD1-NH2 3.44Å; D644-R714 IonicContact OD1-CZ 3.58Å; D644-R714 IonicContact OD1-NE 2.78Å; D644-R714 PolarHBondContact OD1-NE 3.07Å; D644-R714 IonicContact OD1-NH2 3.7Å; D644-R714 PolarHBondContact OD1-NH2 3.24Å; D644-R714 WeakPolarHBondContact OD2-CG 3.31Å; D644-R714 IonicContact OD2-CZ 2.82Å; D644-R714 IonicContact OD2-NE 3.85Å; D644-R714 PolarHBondContact OD2-NE 3.36Å; D644-R714 IonicContact OD2-NH2 2.77Å; D644-R714 PolarHBondContact OD2-NH2 2.8Å; D644-A718 HydrophobicContact CB-CB 4.36Å |
| 645 | N | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 13.8 Ų | 13.8 | 3% | 0.032 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -72.7 | -44.1 | -179.6 | -80.6 | -104.6 | 0 | 0 | 0 | 111.6 | M616 Y620 N641 I642 A643 R649 N721 | M616-N645 HydrophobicContact CE-CB 3.71Å; Y620-N645 PolarHBondContact OH-ND2 2.89Å; Y620-N645 VanDerWaalsContact OH-ND2 3.13Å; N641-N645 WeakPolarHBondContact O-CB 3.35Å; N641-N645 PolarHBondContact O-N 2.98Å; N641-N645 VanDerWaalsContact O-N 3.13Å; N641-N645 PolarHBondContact O-ND2 2.88Å; I642-N645 PolarHBondContact O-N 2.9Å; A643-N645 VanDerWaalsContact C-N 3.35Å; A643-N645 PolarHBondContact O-N 2.94Å; N645-R649 WeakPolarHBondContact O-CG 3.25Å; N645-R649 PolarHBondContact O-N 3.46Å; N645-N721 PolarHBondContact OD1-ND2 3.24Å |
| 646 | G | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -65.2 | -53.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I642 A643 L648 R649 E650 | I642-G646 PolarHBondContact O-N 3.42Å; A643-G646 PolarHBondContact O-N 3.26Å; G646-L648 VanDerWaalsContact C-N 3.29Å; G646-L648 PolarHBondContact O-N 3.3Å; G646-R649 WeakPolarHBondContact O-CB 3.34Å; G646-R649 PolarHBondContact O-N 3.03Å; G646-E650 VanDerWaalsContact O-CG 3.29Å; G646-E650 WeakPolarHBondContact O-CG 3.48Å; G646-E650 PolarHBondContact O-N 3.4Å |
| 647 | G | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.7 | -35.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T581 A643 A651 | T581-G647 PolarHBondContact OG1-N 2.71Å; A643-G647 PolarHBondContact O-N 3.47Å; G647-A651 VanDerWaalsContact O-CB 3.22Å; G647-A651 WeakPolarHBondContact O-CB 3.46Å; G647-A651 PolarHBondContact O-N 3.48Å |
| 648 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 174.9 | -177.3 | 63.7 | 0 | 0 | 0 | 112 | V574 D644 G646 F652 F682 F683 Y686 A718 M719 F722 | V574-L648 HydrophobicContact CG1-CB 4.33Å; V574-L648 HydrophobicContact CG2-CD1 3.95Å; D644-L648 VanDerWaalsContact O-CB 3.27Å; D644-L648 WeakPolarHBondContact O-CB 3.47Å; D644-L648 PolarHBondContact O-N 2.9Å; G646-L648 VanDerWaalsContact C-N 3.29Å; G646-L648 PolarHBondContact O-N 3.3Å; L648-F652 WeakPolarHBondContact O-CB 3.48Å; L648-F652 PolarHBondContact O-N 3.47Å; L648-F652 VanDerWaalsContact O-N 3.11Å; L648-F682 HydrophobicContact CD1-CE1 3.58Å; L648-F682 HydrophobicContact CD1-CZ 4.03Å; L648-F683 HydrophobicContact CD1-CD1 4.4Å; L648-F683 HydrophobicContact CD1-CE1 4.31Å; L648-Y686 HydrophobicContact CB-CE2 4.44Å; L648-Y686 HydrophobicContact CD1-CD1 4.22Å; L648-Y686 HydrophobicContact CD1-CD2 3.75Å; L648-Y686 HydrophobicContact CD1-CE1 4.5Å; L648-Y686 HydrophobicContact CD1-CE2 4.08Å; L648-Y686 HydrophobicContact CD1-CG 3.8Å; L648-Y686 HydrophobicContact CD2-CE1 4.3Å; L648-A718 HydrophobicContact CD2-CB 4.02Å; L648-M719 HydrophobicContact CD2-CG 3.99Å; L648-F722 HydrophobicContact CD2-CD1 3.94Å; L648-F722 HydrophobicContact CG-CD1 3.91Å; L648-F722 HydrophobicContact CG-CE1 4.2Å |
| 649 | R | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 14.1 Ų | 14.1 | 5% | 0.045 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -69.6 | -46.9 | 178.6 | -71.6 | 173.3 | 169.1 | -81.3 | -3.3 | 111.5 | M447 N645 G646 A651 F652 R653 N721 F722 E723 | M447-R649 HydrophobicContact SD-CB 4.12Å; N645-R649 WeakPolarHBondContact O-CG 3.25Å; N645-R649 PolarHBondContact O-N 3.46Å; G646-R649 WeakPolarHBondContact O-CB 3.34Å; G646-R649 PolarHBondContact O-N 3.03Å; R649-A651 VanDerWaalsContact C-N 3.34Å; R649-A651 PolarHBondContact O-N 3.16Å; R649-F652 PolarHBondContact O-N 3.09Å; R649-R653 WeakPolarHBondContact O-CB 3.5Å; R649-R653 PolarHBondContact O-N 3.07Å; R649-N721 PolarHBondContact NH2-O 2.89Å; R649-F722 HydrophobicContact CB-CZ 4.43Å; R649-F722 HydrophobicContact CG-CD1 4.45Å; R649-F722 HydrophobicContact CG-CD2 3.93Å; R649-F722 HydrophobicContact CG-CE1 4.35Å; R649-F722 HydrophobicContact CG-CE2 3.84Å; R649-F722 HydrophobicContact CG-CG 4.26Å; R649-F722 HydrophobicContact CG-CZ 4.06Å; R649-E723 IonicContact CZ-OE1 3.07Å; R649-E723 IonicContact CZ-OE2 2.75Å; R649-E723 IonicContact NH1-OE1 2.86Å; R649-E723 PolarHBondContact NH1-OE1 3.35Å; R649-E723 IonicContact NH1-OE2 3.27Å; R649-E723 PolarHBondContact NH1-OE2 3.47Å; R649-E723 VanDerWaalsContact NH1-OE2 3.11Å; R649-E723 IonicContact NH2-OE1 2.67Å; R649-E723 IonicContact NH2-OE2 3.04Å; R649-E723 PolarHBondContact NH2-OE2 3.46Å |
| 650 | E | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.6 | -48.8 | 177.4 | -68.8 | 166.3 | -154.2 | 0 | 0 | 110.7 | I440 A443 F444 M447 G577 T581 G646 R653 A654 | I440-E650 HydrophobicContact CD1-CB 4.16Å; I440-E650 HydrophobicContact CG2-CB 4.26Å; I440-E650 WeakPolarHBondContact CG2-OE2 3.49Å; A443-E650 HydrophobicContact CB-CB 4.33Å; A443-E650 VanDerWaalsContact CB-O 3.23Å; A443-E650 WeakPolarHBondContact CB-O 3.45Å; F444-E650 HydrophobicContact CB-CG 4.32Å; F444-E650 WeakPolarHBondContact CD2-OE1 3.43Å; M447-E650 HydrophobicContact CE-CG 3.62Å; G577-E650 VanDerWaalsContact CA-OE2 3.32Å; G577-E650 WeakPolarHBondContact CA-OE2 3.4Å; T581-E650 PolarHBondContact OG1-OE1 2.92Å; G646-E650 VanDerWaalsContact O-CG 3.29Å; G646-E650 WeakPolarHBondContact O-CG 3.48Å; G646-E650 PolarHBondContact O-N 3.4Å; E650-R653 PolarHBondContact O-N 3.34Å; E650-A654 WeakPolarHBondContact O-CB 3.48Å; E650-A654 PolarHBondContact O-N 2.98Å |
| 651 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.5 | -40.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I440 Y569 V574 G647 R649 A654 Y655 F682 | I440-A651 HydrophobicContact CD1-CB 3.74Å; Y569-A651 WeakPolarHBondContact CD1-O 3.33Å; V574-A651 HydrophobicContact CB-CB 4.29Å; V574-A651 HydrophobicContact CG2-CB 3.65Å; G647-A651 VanDerWaalsContact O-CB 3.22Å; G647-A651 WeakPolarHBondContact O-CB 3.46Å; G647-A651 PolarHBondContact O-N 3.48Å; R649-A651 VanDerWaalsContact C-N 3.34Å; R649-A651 PolarHBondContact O-N 3.16Å; A651-A654 PolarHBondContact O-N 2.67Å; A651-Y655 WeakPolarHBondContact O-CB 3.25Å; A651-Y655 PolarHBondContact O-N 3.1Å; A651-F682 HydrophobicContact CB-CE2 4.06Å; A651-F682 HydrophobicContact CB-CZ 4Å |
| 652 | F | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.3 | -42.9 | 176.1 | -171.6 | -97.1 | 0 | 0 | 0 | 111 | L648 R649 Y655 R656 N679 F682 F683 F722 E724 | L648-F652 WeakPolarHBondContact O-CB 3.48Å; L648-F652 PolarHBondContact O-N 3.47Å; L648-F652 VanDerWaalsContact O-N 3.11Å; R649-F652 PolarHBondContact O-N 3.09Å; F652-Y655 WeakPolarHBondContact O-CB 3.23Å; F652-Y655 PolarHBondContact O-N 2.68Å; F652-R656 HydrophobicContact CD1-CG 4Å; F652-R656 HydrophobicContact CE1-CG 3.65Å; F652-R656 HydrophobicContact CZ-CG 4.07Å; F652-R656 WeakPolarHBondContact O-CG 3.48Å; F652-R656 PolarHBondContact O-N 3.04Å; F652-N679 HydrophobicContact CE2-CB 4.14Å; F652-N679 HydrophobicContact CZ-CB 4.29Å; F652-F682 HydrophobicContact CB-CE1 3.83Å; F652-F682 HydrophobicContact CB-CE2 4.24Å; F652-F682 HydrophobicContact CB-CZ 3.66Å; F652-F682 AromaticContact CD2-CD1 3.58Å; F652-F682 HydrophobicContact CD2-CD1 3.58Å; F652-F682 HydrophobicContact CD2-CD2 4.32Å; F652-F682 AromaticContact CD2-CE1 3.69Å; F652-F682 HydrophobicContact CD2-CE1 3.69Å; F652-F682 HydrophobicContact CD2-CE2 4.4Å; F652-F682 AromaticContact CD2-CG 3.93Å; F652-F682 HydrophobicContact CD2-CG 3.93Å; F652-F682 HydrophobicContact CD2-CZ 4.13Å; F652-F682 HydrophobicContact CE2-CD1 4.31Å; F652-F682 HydrophobicContact CG-CE1 4.24Å; F652-F682 HydrophobicContact CG-CZ 4.42Å; F652-F683 HydrophobicContact CD2-CE2 4.21Å; F652-F683 AromaticContact CD2-CZ 3.88Å; F652-F683 HydrophobicContact CD2-CZ 3.88Å; F652-F683 AromaticContact CE2-CE2 3.83Å; F652-F683 HydrophobicContact CE2-CE2 3.83Å; F652-F683 AromaticContact CE2-CZ 3.93Å; F652-F683 HydrophobicContact CE2-CZ 3.93Å; F652-F683 HydrophobicContact CG-CZ 4.44Å; F652-F683 HydrophobicContact CZ-CE2 4.45Å; F652-F722 HydrophobicContact CB-CE1 3.74Å; F652-F722 HydrophobicContact CB-CZ 3.81Å; F652-F722 HydrophobicContact CD1-CE1 4.32Å; F652-F722 AromaticContact CD1-CZ 3.84Å; F652-F722 HydrophobicContact CD1-CZ 3.84Å; F652-F722 HydrophobicContact CG-CE1 4.01Å; F652-F722 AromaticContact CG-CZ 3.97Å; F652-F722 HydrophobicContact CG-CZ 3.97Å; F652-E724 HydrophobicContact CD1-CB 3.89Å; F652-E724 HydrophobicContact CD1-CG 3.85Å; F652-E724 HydrophobicContact CE1-CB 3.52Å; F652-E724 HydrophobicContact CE1-CG 3.54Å; F652-E724 HydrophobicContact CZ-CB 3.94Å; F652-E724 HydrophobicContact CZ-CG 4.4Å |
| 653 | R | 98.6 | Very high | 98 | Very high | 57 Ų | 57 | 31.7 Ų | 31.7 | 22% | 0.215 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.6 | -165 | -169.5 | -162.7 | 96.1 | -1.3 | 111.6 | W442 A443 D446 E451 R649 E650 Y655 R656 R657 | W442-R653 HydrophobicContact CH2-CG 4.31Å; W442-R653 HydrophobicContact CZ3-CG 3.98Å; A443-R653 HydrophobicContact CB-CB 4.06Å; A443-R653 HydrophobicContact CB-CG 4.4Å; D446-R653 IonicContact OD2-CZ 3.73Å; D446-R653 IonicContact OD2-NE 2.98Å; D446-R653 PolarHBondContact OD2-NE 3.42Å; D446-R653 IonicContact OD2-NH2 3.81Å; D446-R653 PolarHBondContact OD2-NH2 2.88Å; E451-R653 VanDerWaalsContact CD-NH1 3.34Å; E451-R653 IonicContact OE1-CZ 3.55Å; E451-R653 IonicContact OE1-NH1 3.16Å; E451-R653 PolarHBondContact OE1-NH1 2.93Å; E451-R653 IonicContact OE1-NH2 3.31Å; E451-R653 PolarHBondContact OE1-NH2 2.9Å; E451-R653 IonicContact OE2-NH1 2.71Å; R649-R653 WeakPolarHBondContact O-CB 3.5Å; R649-R653 PolarHBondContact O-N 3.07Å; E650-R653 PolarHBondContact O-N 3.34Å; R653-Y655 VanDerWaalsContact C-N 3.34Å; R653-Y655 PolarHBondContact O-N 3.1Å; R653-R656 PolarHBondContact O-N 3.2Å; R653-R657 PolarHBondContact O-N 2.92Å |
| 654 | A | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G439 I440 A443 Y569 E650 A651 R657 W658 | G439-A654 WeakPolarHBondContact O-CB 3.46Å; I440-A654 HydrophobicContact CD1-CB 4.09Å; A443-A654 HydrophobicContact CB-CB 4.19Å; Y569-A654 HydrophobicContact CD1-CB 4.22Å; Y569-A654 HydrophobicContact CE1-CB 3.7Å; E650-A654 WeakPolarHBondContact O-CB 3.48Å; E650-A654 PolarHBondContact O-N 2.98Å; A651-A654 PolarHBondContact O-N 2.67Å; A654-R657 PolarHBondContact O-N 3.3Å; A654-W658 WeakPolarHBondContact O-CB 3.28Å; A654-W658 PolarHBondContact O-N 3.01Å |
| 655 | Y | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 174.1 | 173.6 | -120.6 | 0 | 0 | 0 | 112.2 | R565 Y569 A651 F652 R653 R657 W658 I659 E668 H678 F682 | R565-Y655 HydrophobicContact CB-CD2 4.38Å; R565-Y655 HydrophobicContact CB-CE2 4.08Å; Y569-Y655 AromaticContact CD2-CD2 3.66Å; Y569-Y655 HydrophobicContact CD2-CD2 3.66Å; Y569-Y655 HydrophobicContact CD2-CG 4.28Å; Y569-Y655 HydrophobicContact CE2-CD2 4.25Å; Y569-Y655 HydrophobicContact CG-CD2 4.07Å; Y569-Y655 HydrophobicContact CG-CG 4.24Å; A651-Y655 WeakPolarHBondContact O-CB 3.25Å; A651-Y655 PolarHBondContact O-N 3.1Å; F652-Y655 WeakPolarHBondContact O-CB 3.23Å; F652-Y655 PolarHBondContact O-N 2.68Å; R653-Y655 VanDerWaalsContact C-N 3.34Å; R653-Y655 PolarHBondContact O-N 3.1Å; Y655-R657 VanDerWaalsContact C-N 3.3Å; Y655-R657 PolarHBondContact O-N 3.18Å; Y655-W658 HydrophobicContact CE2-CE3 4.34Å; Y655-W658 WeakPolarHBondContact O-CB 3.49Å; Y655-W658 PolarHBondContact O-N 3.49Å; Y655-W658 VanDerWaalsContact O-N 3.09Å; Y655-I659 HydrophobicContact CD2-CG1 4.42Å; Y655-I659 HydrophobicContact CE1-CG1 4.34Å; Y655-I659 HydrophobicContact CE2-CD1 3.82Å; Y655-I659 HydrophobicContact CE2-CG1 3.89Å; Y655-I659 PolarHBondContact O-N 3.31Å; Y655-E668 WeakPolarHBondContact CE2-OE2 3.39Å; Y655-E668 PolarHBondContact OH-OE2 3.42Å; Y655-H678 WeakPolarHBondContact OH-CB 3.35Å; Y655-F682 HydrophobicContact CD1-CD2 4.49Å |
| 656 | R | 98.3 | Very high | 97.5 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 23% | 0.234 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 178.4 | -67.5 | -44.9 | -49.2 | 176 | 6.2 | 112.2 | F652 R653 I659 V660 E667 N679 | F652-R656 HydrophobicContact CD1-CG 4Å; F652-R656 HydrophobicContact CE1-CG 3.65Å; F652-R656 HydrophobicContact CZ-CG 4.07Å; F652-R656 WeakPolarHBondContact O-CG 3.48Å; F652-R656 PolarHBondContact O-N 3.04Å; R653-R656 PolarHBondContact O-N 3.2Å; R656-I659 PolarHBondContact O-N 3.49Å; R656-V660 PolarHBondContact O-N 3.29Å; R656-E667 IonicContact CZ-OE1 2.77Å; R656-E667 IonicContact CZ-OE2 3.99Å; R656-E667 VanDerWaalsContact NH1-CD 3.35Å; R656-E667 IonicContact NH1-OE1 2.96Å; R656-E667 PolarHBondContact NH1-OE1 3.16Å; R656-E667 IonicContact NH1-OE2 3.84Å; R656-E667 PolarHBondContact NH1-OE2 2.82Å; R656-E667 IonicContact NH2-OE1 3.34Å; R656-E667 PolarHBondContact NH2-OE1 2.66Å; R656-N679 PolarHBondContact NH1-OD1 3.27Å |
| 657 | R | 98 | Very high | 97.3 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 28% | 0.283 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 171.7 | 178.1 | 176.3 | -178.2 | -146.9 | -6.6 | 111.7 | W442 R653 A654 Y655 I659 V660 E661 | W442-R657 VanDerWaalsContact CB-NH1 3.31Å; W442-R657 VanDerWaalsContact CD2-CD 3.45Å; W442-R657 HydrophobicContact CE3-CB 4.35Å; W442-R657 HydrophobicContact CE3-CG 4.45Å; W442-R657 HydrophobicContact CH2-CB 4.03Å; W442-R657 HydrophobicContact CH2-CG 4.24Å; W442-R657 HydrophobicContact CZ3-CB 3.73Å; W442-R657 HydrophobicContact CZ3-CG 4.14Å; R653-R657 PolarHBondContact O-N 2.92Å; A654-R657 PolarHBondContact O-N 3.3Å; Y655-R657 VanDerWaalsContact C-N 3.3Å; Y655-R657 PolarHBondContact O-N 3.18Å; R657-I659 VanDerWaalsContact C-N 3.31Å; R657-I659 PolarHBondContact O-N 3.33Å; R657-V660 PolarHBondContact O-N 2.9Å; R657-V660 VanDerWaalsContact O-N 3.09Å; R657-E661 HydrophobicContact CG-CG 4.09Å; R657-E661 IonicContact CZ-OE1 3.16Å; R657-E661 IonicContact CZ-OE2 3.18Å; R657-E661 IonicContact NE-OE1 2.9Å; R657-E661 PolarHBondContact NE-OE1 2.66Å; R657-E661 IonicContact NE-OE2 3.32Å; R657-E661 PolarHBondContact NE-OE2 3.36Å; R657-E661 IonicContact NH2-OE1 3.33Å; R657-E661 PolarHBondContact NH2-OE1 3.27Å; R657-E661 IonicContact NH2-OE2 3.75Å; R657-E661 PolarHBondContact NH2-OE2 3.46Å; R657-E661 PolarHBondContact O-N 2.69Å |
| 658 | W | 97.6 | Very high | 97.1 | Very high | 31 Ų | 31 | 48 Ų | 48 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | 178.2 | -178.7 | 94.9 | 0 | 0 | 0 | 111.9 | E435 R565 Y569 A654 Y655 V660 E661 K662 R663 E668 | E435-W658 PolarHBondContact OE1-NE1 2.9Å; E435-W658 VanDerWaalsContact OE1-NE1 3.16Å; R565-W658 HydrophobicContact CB-CD2 4.36Å; R565-W658 HydrophobicContact CB-CE3 3.94Å; R565-W658 HydrophobicContact CB-CH2 4Å; R565-W658 HydrophobicContact CB-CZ2 4.4Å; R565-W658 HydrophobicContact CB-CZ3 3.71Å; R565-W658 HydrophobicContact CG-CD2 4.07Å; R565-W658 HydrophobicContact CG-CE3 3.96Å; R565-W658 HydrophobicContact CG-CH2 3.27Å; R565-W658 HydrophobicContact CG-CZ2 3.39Å; R565-W658 HydrophobicContact CG-CZ3 3.54Å; Y569-W658 HydrophobicContact CE2-CB 4.14Å; Y569-W658 HydrophobicContact CE2-CG 4.07Å; A654-W658 WeakPolarHBondContact O-CB 3.28Å; A654-W658 PolarHBondContact O-N 3.01Å; Y655-W658 HydrophobicContact CE2-CE3 4.34Å; Y655-W658 WeakPolarHBondContact O-CB 3.49Å; Y655-W658 PolarHBondContact O-N 3.49Å; Y655-W658 VanDerWaalsContact O-N 3.09Å; W658-V660 VanDerWaalsContact C-N 3.33Å; W658-V660 PolarHBondContact O-N 3.46Å; W658-E661 PolarHBondContact O-N 3.41Å; W658-K662 HydrophobicContact CD2-CB 4.18Å; W658-K662 HydrophobicContact CD2-CG 4.34Å; W658-K662 HydrophobicContact CG-CB 4.41Å; W658-K662 HydrophobicContact CG-CG 4.11Å; W658-K662 HydrophobicContact CZ2-CB 4.04Å; W658-K662 VanDerWaalsContact O-CB 3.29Å; W658-K662 WeakPolarHBondContact O-CB 3.03Å; W658-K662 PolarHBondContact O-N 3.48Å; W658-R663 HydrophobicContact CH2-CG 3.9Å; W658-R663 HydrophobicContact CZ3-CG 3.92Å; W658-E668 HydrophobicContact CZ3-CG 4.28Å |
| 659 | I | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 173.1 | -65.5 | -64.9 | 0 | 0 | 0 | 111.2 | Y655 R656 R657 R663 G664 G665 E668 | Y655-I659 HydrophobicContact CD2-CG1 4.42Å; Y655-I659 HydrophobicContact CE1-CG1 4.34Å; Y655-I659 HydrophobicContact CE2-CD1 3.82Å; Y655-I659 HydrophobicContact CE2-CG1 3.89Å; Y655-I659 PolarHBondContact O-N 3.31Å; R656-I659 PolarHBondContact O-N 3.49Å; R657-I659 VanDerWaalsContact C-N 3.31Å; R657-I659 PolarHBondContact O-N 3.33Å; I659-R663 CarbonylContact O-C 3.6Å; I659-R663 WeakPolarHBondContact O-CA 3.45Å; I659-R663 VanDerWaalsContact O-CB 3.3Å; I659-R663 WeakPolarHBondContact O-CB 3.38Å; I659-R663 PolarHBondContact O-N 3.5Å; I659-R663 VanDerWaalsContact O-N 3.1Å; I659-G664 PolarHBondContact O-N 2.9Å; I659-G665 PolarHBondContact O-N 2.74Å; I659-E668 HydrophobicContact CD1-CG 3.89Å |
| 660 | V | 97.6 | Very high | 96.8 | Very high | 90 Ų | 90 | 50.2 Ų | 50.2 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.7 | -50.3 | 179.1 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | R656 R657 W658 G664 G665 | R656-V660 PolarHBondContact O-N 3.29Å; R657-V660 PolarHBondContact O-N 2.9Å; R657-V660 VanDerWaalsContact O-N 3.09Å; W658-V660 VanDerWaalsContact C-N 3.33Å; W658-V660 PolarHBondContact O-N 3.46Å; V660-G664 VanDerWaalsContact O-CA 3.28Å; V660-G664 WeakPolarHBondContact O-CA 3.3Å; V660-G664 PolarHBondContact O-N 3.12Å; V660-G664 VanDerWaalsContact O-N 3.14Å; V660-G665 PolarHBondContact O-N 2.78Å |
| 661 | E | 96.4 | Very high | 96.7 | Very high | 111 Ų | 111 | 50.2 Ų | 50.2 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -80.7 | -35 | -170.6 | -68.4 | -173.7 | 166.5 | 0 | 0 | 114 | R657 W658 | R657-E661 HydrophobicContact CG-CG 4.09Å; R657-E661 IonicContact CZ-OE1 3.16Å; R657-E661 IonicContact CZ-OE2 3.18Å; R657-E661 IonicContact NE-OE1 2.9Å; R657-E661 PolarHBondContact NE-OE1 2.66Å; R657-E661 IonicContact NE-OE2 3.32Å; R657-E661 PolarHBondContact NE-OE2 3.36Å; R657-E661 IonicContact NH2-OE1 3.33Å; R657-E661 PolarHBondContact NH2-OE1 3.27Å; R657-E661 IonicContact NH2-OE2 3.75Å; R657-E661 PolarHBondContact NH2-OE2 3.46Å; R657-E661 PolarHBondContact O-N 2.69Å; W658-E661 PolarHBondContact O-N 3.41Å |
| 662 | K | 95.2 | Very high | 96.4 | Very high | 134 Ų | 134 | 51.5 Ų | 51.5 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -100.7 | -18.9 | -175 | -58.3 | -59.8 | -169.7 | 175 | 0 | 113.4 | W658 | W658-K662 HydrophobicContact CD2-CB 4.18Å; W658-K662 HydrophobicContact CD2-CG 4.34Å; W658-K662 HydrophobicContact CG-CB 4.41Å; W658-K662 HydrophobicContact CG-CG 4.11Å; W658-K662 HydrophobicContact CZ2-CB 4.04Å; W658-K662 VanDerWaalsContact O-CB 3.29Å; W658-K662 WeakPolarHBondContact O-CB 3.03Å; W658-K662 PolarHBondContact O-N 3.48Å |
| 663 | R | 94.6 | Very high | 96 | Very high | 76 Ų | 76 | 54.4 Ų | 54.4 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -124.4 | 10.7 | 179.7 | -56.4 | -177.5 | 57.8 | 79.1 | 3.7 | 113.6 | W658 I659 G665 E666 E667 | W658-R663 HydrophobicContact CH2-CG 3.9Å; W658-R663 HydrophobicContact CZ3-CG 3.92Å; I659-R663 CarbonylContact O-C 3.6Å; I659-R663 WeakPolarHBondContact O-CA 3.45Å; I659-R663 VanDerWaalsContact O-CB 3.3Å; I659-R663 WeakPolarHBondContact O-CB 3.38Å; I659-R663 PolarHBondContact O-N 3.5Å; I659-R663 VanDerWaalsContact O-N 3.1Å; R663-G665 PolarHBondContact O-N 3.17Å; R663-G665 VanDerWaalsContact O-N 3.12Å; R663-E666 VanDerWaalsContact CB-O 3.31Å; R663-E666 WeakPolarHBondContact CB-O 3.28Å; R663-E666 PolarHBondContact NE-O 3.08Å; R663-E666 WeakPolarHBondContact O-CB 3.31Å; R663-E666 PolarHBondContact O-N 3.17Å; R663-E667 PolarHBondContact NH2-O 3.38Å |
| 664 | G | 96.1 | Very high | 95.6 | Very high | 71 Ų | 71 | 51.9 Ų | 51.9 | 73% | 0.732 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 19.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | I659 V660 | I659-G664 PolarHBondContact O-N 2.9Å; V660-G664 VanDerWaalsContact O-CA 3.28Å; V660-G664 WeakPolarHBondContact O-CA 3.3Å; V660-G664 PolarHBondContact O-N 3.12Å; V660-G664 VanDerWaalsContact O-N 3.14Å |
| 665 | G | 94.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 38% | 0.381 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -3.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | I659 V660 R663 | I659-G665 PolarHBondContact O-N 2.74Å; V660-G665 PolarHBondContact O-N 2.78Å; R663-G665 PolarHBondContact O-N 3.17Å; R663-G665 VanDerWaalsContact O-N 3.12Å |
| 666 | E | 94.9 | Very high | 95 | Very high | 141 Ų | 141 | 61.9 Ų | 61.9 | 66% | 0.659 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 125.7 | 176.2 | -63.2 | -177.1 | 176.6 | 0 | 0 | 111.1 | R663 | R663-E666 VanDerWaalsContact CB-O 3.31Å; R663-E666 WeakPolarHBondContact CB-O 3.28Å; R663-E666 PolarHBondContact NE-O 3.08Å; R663-E666 WeakPolarHBondContact O-CB 3.31Å; R663-E666 PolarHBondContact O-N 3.17Å |
| 667 | E | 95.1 | Very high | 95 | Very high | 85 Ų | 85 | 62.1 Ų | 62.1 | 40% | 0.397 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 157.6 | 175.1 | -64.9 | -62.3 | 156 | 0 | 0 | 111.6 | R656 R663 | R656-E667 IonicContact CZ-OE1 2.77Å; R656-E667 IonicContact CZ-OE2 3.99Å; R656-E667 VanDerWaalsContact NH1-CD 3.35Å; R656-E667 IonicContact NH1-OE1 2.96Å; R656-E667 PolarHBondContact NH1-OE1 3.16Å; R656-E667 IonicContact NH1-OE2 3.84Å; R656-E667 PolarHBondContact NH1-OE2 2.82Å; R656-E667 IonicContact NH2-OE1 3.34Å; R656-E667 PolarHBondContact NH2-OE1 2.66Å; R663-E667 PolarHBondContact NH2-O 3.38Å |
| 668 | E | 95.1 | Very high | 94.9 | Very high | 17 Ų | 17 | 58.7 Ų | 58.7 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 149.6 | 172.8 | -58.6 | 178.7 | 93.1 | 0 | 0 | 110.4 | P564 R565 S566 Y655 W658 I659 H678 | P564-E668 VanDerWaalsContact CA-OE1 3.24Å; P564-E668 WeakPolarHBondContact CA-OE1 3.47Å; R565-E668 PolarHBondContact N-OE1 3.07Å; R565-E668 PolarHBondContact N-OE2 2.71Å; S566-E668 PolarHBondContact N-OE2 3.1Å; S566-E668 VanDerWaalsContact N-OE2 3.1Å; S566-E668 PolarHBondContact OG-OE2 3.44Å; Y655-E668 WeakPolarHBondContact CE2-OE2 3.39Å; Y655-E668 PolarHBondContact OH-OE2 3.42Å; W658-E668 HydrophobicContact CZ3-CG 4.28Å; I659-E668 HydrophobicContact CD1-CG 3.89Å; E668-H678 WeakPolarHBondContact CB-NE2 3.14Å; E668-H678 PolarHBondContact O-CD2 3.14Å; E668-H678 PolarHBondContact O-NE2 3.04Å; E668-H678 IonicContact OE2-CG 3.23Å; E668-H678 IonicContact OE2-ND1 3.5Å |
| 669 | P | 94.8 | Very high | 95 | Very high | 32 Ų | 32 | 59 Ų | 59 | 21% | 0.208 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 135.6 | 175.1 | -18.7 | 31.8 | 0 | 0 | 0 | 111.5 | Q50 C52 H678 | Q50-P669 HydrophobicContact CB-CB 4.4Å; Q50-P669 HydrophobicContact CG-CB 4.11Å; Q50-P669 HydrophobicContact CG-CG 4.45Å; Q50-P669 CarbonylContact O-C 3.48Å; Q50-P669 WeakPolarHBondContact O-CA 3.43Å; C52-P669 HydrophobicContact CB-CB 4.14Å; P669-H678 VanDerWaalsContact C-NE2 3.33Å; P669-H678 PolarHBondContact O-NE2 3.14Å |
| 670 | L | 95.5 | Very high | 95 | Very high | 26 Ų | 26 | 60.4 Ų | 60.4 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -62.9 | 152.4 | -172.4 | -61.4 | -178.9 | 0 | 0 | 0 | 112.8 | Q49 Q50 Y51 C52 | Q49-L670 HydrophobicContact CG-CD1 3.63Å; Q50-L670 PolarHBondContact O-N 3.33Å; Y51-L670 CarbonylContact C-O 3.58Å; Y51-L670 VanDerWaalsContact CA-O 3.31Å; Y51-L670 WeakPolarHBondContact CA-O 3.16Å; Y51-L670 HydrophobicContact CD1-CB 4.06Å; Y51-L670 HydrophobicContact CE1-CB 4.19Å; C52-L670 PolarHBondContact N-O 3.03Å |
| 671 | L | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 137.9 | 173.6 | -70.5 | -174.6 | 0 | 0 | 0 | 111 | C57 A60 A61 I64 P564 L674 L681 | C57-L671 HydrophobicContact CB-CD2 3.66Å; C57-L671 WeakPolarHBondContact O-CD2 3.32Å; A60-L671 HydrophobicContact CB-CD1 4.18Å; A60-L671 HydrophobicContact CB-CD2 4.49Å; A61-L671 HydrophobicContact CB-CB 4.16Å; I64-L671 HydrophobicContact CD1-CD1 3.97Å; P564-L671 HydrophobicContact CG-CD2 3.82Å; P564-L671 HydrophobicContact CG-CG 4.48Å; L671-L674 HydrophobicContact CB-CB 4.36Å; L671-L674 HydrophobicContact CB-CD1 4.05Å; L671-L674 HydrophobicContact CD1-CD1 4.1Å; L671-L674 PolarHBondContact O-N 3.27Å; L671-L681 HydrophobicContact CB-CD1 4.46Å; L671-L681 HydrophobicContact CD1-CD1 3.73Å; L671-L681 HydrophobicContact CD1-CD2 4.21Å; L671-L681 HydrophobicContact CG-CD1 3.88Å |
| 672 | P | 93.8 | Very high | 95.2 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 140.6 | -177.5 | 28.6 | -32.7 | 0 | 0 | 0 | 110.7 | C52 L53 I58 A61 L674 | C52-P672 VanDerWaalsContact O-CD 3.26Å; C52-P672 WeakPolarHBondContact O-CD 3.43Å; L53-P672 HydrophobicContact CD2-CB 3.97Å; L53-P672 HydrophobicContact CD2-CG 4.32Å; I58-P672 HydrophobicContact CG1-CG 4.01Å; A61-P672 HydrophobicContact CB-CG 4.33Å; A61-P672 VanDerWaalsContact CB-O 3.29Å; A61-P672 WeakPolarHBondContact CB-O 3.2Å; P672-L674 PolarHBondContact O-N 2.7Å |
| 673 | G | 90.6 | Very high | 95.3 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 69% | 0.691 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 6.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 674 | L | 89.4 | Confident | 95.5 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | trans | -122.8 | 129.8 | 174.6 | -73.2 | 174.2 | 0 | 0 | 0 | 109.7 | A61 I64 L65 I68 L671 P672 F676 L681 | A61-L674 HydrophobicContact CB-CD1 4.09Å; I64-L674 HydrophobicContact CB-CD1 4.05Å; I64-L674 HydrophobicContact CD1-CD1 4.33Å; I64-L674 HydrophobicContact CG2-CD1 3.88Å; I64-L674 HydrophobicContact CG2-CD2 4.3Å; L65-L674 HydrophobicContact CD1-CD2 4.39Å; L65-L674 HydrophobicContact CD2-CD2 3.36Å; L65-L674 HydrophobicContact CD2-CG 4.31Å; L65-L674 HydrophobicContact CG-CD2 3.57Å; L65-L674 HydrophobicContact CG-CG 4.11Å; I68-L674 HydrophobicContact CD1-CD2 4.41Å; L671-L674 HydrophobicContact CB-CB 4.36Å; L671-L674 HydrophobicContact CB-CD1 4.05Å; L671-L674 HydrophobicContact CD1-CD1 4.1Å; L671-L674 PolarHBondContact O-N 3.27Å; P672-L674 PolarHBondContact O-N 2.7Å; L674-F676 HydrophobicContact CB-CD2 4.29Å; L674-F676 HydrophobicContact CD2-CD2 3.82Å; L674-F676 HydrophobicContact CD2-CE2 3.88Å; L674-F676 PolarHBondContact O-N 3.06Å; L674-L681 HydrophobicContact CD1-CD2 4.29Å | ||
| 675 | E | 88.7 | Confident | 95.6 | Very high | 186 Ų | 186 | 37.6 Ų | 37.6 | 87% | 0.869 | 22% | 0.216 | S | C | * | . | trans | -91.8 | 29.7 | 173.7 | -60.3 | -170.7 | 161.1 | 0 | 0 | 111.9 | ||||
| 676 | F | 95.8 | Very high | 95.8 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 11% | 0.114 | 20% | 0.197 | C | C | . | . | trans | -100.2 | 132.4 | 178.4 | -62.1 | -56.3 | 0 | 0 | 0 | 111.7 | I68 F81 L674 Q680 L681 L684 | I68-F676 HydrophobicContact CD1-CE2 3.82Å; I68-F676 HydrophobicContact CD1-CZ 4.27Å; F81-F676 HydrophobicContact CE1-CZ 4.37Å; F81-F676 HydrophobicContact CZ-CE1 4.01Å; F81-F676 AromaticContact CZ-CZ 3.68Å; F81-F676 HydrophobicContact CZ-CZ 3.68Å; L674-F676 HydrophobicContact CB-CD2 4.29Å; L674-F676 HydrophobicContact CD2-CD2 3.82Å; L674-F676 HydrophobicContact CD2-CE2 3.88Å; L674-F676 PolarHBondContact O-N 3.06Å; F676-Q680 HydrophobicContact CB-CB 4.06Å; F676-Q680 HydrophobicContact CD1-CB 4.24Å; F676-Q680 HydrophobicContact CG-CB 4.48Å; F676-L681 HydrophobicContact CB-CD2 3.83Å; F676-L681 HydrophobicContact CB-CG 4.04Å; F676-L681 HydrophobicContact CD2-CD2 4.39Å; F676-L684 HydrophobicContact CD1-CD1 4.48Å; F676-L684 HydrophobicContact CD2-CD1 3.69Å; F676-L684 HydrophobicContact CE2-CD1 3.92Å; F676-L684 HydrophobicContact CG-CD1 4.02Å; F676-L684 HydrophobicContact CZ-CD1 4.42Å | ||
| 677 | T | 97.2 | Very high | 96 | Very high | 66 Ų | 66 | 29.1 Ų | 29.1 | 41% | 0.405 | 17% | 0.166 | S | C | . | . | trans | -67 | 160.6 | 167.4 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | N679 Q680 L681 | T677-N679 PolarHBondContact O-N 3.47Å; T677-Q680 WeakPolarHBondContact O-CA 3.47Å; T677-Q680 WeakPolarHBondContact O-CB 3.31Å; T677-Q680 PolarHBondContact O-N 2.82Å; T677-Q680 WeakPolarHBondContact OG1-CG 3.29Å; T677-Q680 PolarHBondContact OG1-N 3Å; T677-Q680 PolarHBondContact OG1-OE1 2.81Å; T677-Q680 VanDerWaalsContact OG1-OE1 3.12Å; T677-L681 WeakPolarHBondContact O-CG 3.4Å; T677-L681 PolarHBondContact O-N 3.28Å | ||
| 678 | H | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.1 | -26.3 | 177.9 | -75.5 | -79.5 | 0 | 0 | 0 | 114.3 | S566 Y655 E668 P669 L681 F682 | S566-H678 WeakPolarHBondContact CB-O 3.38Å; S566-H678 PolarHBondContact OG-ND1 3.34Å; Y655-H678 WeakPolarHBondContact OH-CB 3.35Å; E668-H678 WeakPolarHBondContact CB-NE2 3.14Å; E668-H678 PolarHBondContact O-CD2 3.14Å; E668-H678 PolarHBondContact O-NE2 3.04Å; E668-H678 IonicContact OE2-CG 3.23Å; E668-H678 IonicContact OE2-ND1 3.5Å; P669-H678 VanDerWaalsContact C-NE2 3.33Å; P669-H678 PolarHBondContact O-NE2 3.14Å; H678-L681 PolarHBondContact O-N 3.45Å; H678-F682 PolarHBondContact O-N 2.82Å |
| 679 | N | 98.4 | Very high | 96.1 | Very high | 38 Ų | 38 | 24.6 Ų | 24.6 | 20% | 0.203 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.5 | -40.9 | 169.7 | -69.6 | -15.4 | 0 | 0 | 0 | 111.3 | F652 R656 T677 F682 F683 A728 | F652-N679 HydrophobicContact CE2-CB 4.14Å; F652-N679 HydrophobicContact CZ-CB 4.29Å; R656-N679 PolarHBondContact NH1-OD1 3.27Å; T677-N679 PolarHBondContact O-N 3.47Å; N679-F682 WeakPolarHBondContact O-CB 3.42Å; N679-F682 PolarHBondContact O-N 2.75Å; N679-F683 WeakPolarHBondContact O-CD2 2.84Å; N679-F683 PolarHBondContact O-N 3.01Å; N679-A728 HydrophobicContact CB-CB 4.31Å |
| 680 | Q | 98.5 | Very high | 96.2 | Very high | 30 Ų | 30 | 23.4 Ų | 23.4 | 14% | 0.14 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.8 | -38.9 | 174 | -69.9 | 167.4 | -47.2 | 0 | 0 | 111.8 | F676 T677 F682 F683 L684 A728 F729 | F676-Q680 HydrophobicContact CB-CB 4.06Å; F676-Q680 HydrophobicContact CD1-CB 4.24Å; F676-Q680 HydrophobicContact CG-CB 4.48Å; T677-Q680 WeakPolarHBondContact O-CA 3.47Å; T677-Q680 WeakPolarHBondContact O-CB 3.31Å; T677-Q680 PolarHBondContact O-N 2.82Å; T677-Q680 WeakPolarHBondContact OG1-CG 3.29Å; T677-Q680 PolarHBondContact OG1-N 3Å; T677-Q680 PolarHBondContact OG1-OE1 2.81Å; T677-Q680 VanDerWaalsContact OG1-OE1 3.12Å; Q680-F682 VanDerWaalsContact C-N 3.33Å; Q680-F682 PolarHBondContact O-N 3.45Å; Q680-F683 PolarHBondContact O-N 3.38Å; Q680-L684 PolarHBondContact O-N 3.18Å; Q680-A728 HydrophobicContact CG-CB 4.14Å; Q680-A728 VanDerWaalsContact CG-O 3.26Å; Q680-A728 WeakPolarHBondContact CG-O 3.25Å; Q680-A728 PolarHBondContact NE2-O 2.99Å; Q680-F729 HydrophobicContact CB-CE1 4.15Å; Q680-F729 HydrophobicContact CB-CE2 3.99Å; Q680-F729 HydrophobicContact CB-CZ 3.57Å; Q680-F729 HydrophobicContact CG-CD1 4.33Å; Q680-F729 HydrophobicContact CG-CD2 4.24Å; Q680-F729 HydrophobicContact CG-CE1 3.93Å; Q680-F729 HydrophobicContact CG-CE2 3.83Å; Q680-F729 HydrophobicContact CG-CG 4.47Å; Q680-F729 HydrophobicContact CG-CZ 3.66Å |
| 681 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.6 | -35.3 | 176.3 | -66.4 | 175.5 | 0 | 0 | 0 | 112.6 | I64 L567 L671 L674 F676 T677 H678 L684 S685 | I64-L681 HydrophobicContact CD1-CD2 3.86Å; L567-L681 HydrophobicContact CD2-CB 4.05Å; L671-L681 HydrophobicContact CB-CD1 4.46Å; L671-L681 HydrophobicContact CD1-CD1 3.73Å; L671-L681 HydrophobicContact CD1-CD2 4.21Å; L671-L681 HydrophobicContact CG-CD1 3.88Å; L674-L681 HydrophobicContact CD1-CD2 4.29Å; F676-L681 HydrophobicContact CB-CD2 3.83Å; F676-L681 HydrophobicContact CB-CG 4.04Å; F676-L681 HydrophobicContact CD2-CD2 4.39Å; T677-L681 WeakPolarHBondContact O-CG 3.4Å; T677-L681 PolarHBondContact O-N 3.28Å; H678-L681 PolarHBondContact O-N 3.45Å; L681-L684 HydrophobicContact CD2-CD1 4.28Å; L681-L684 PolarHBondContact O-N 3.05Å; L681-S685 WeakPolarHBondContact O-CB 3.47Å; L681-S685 PolarHBondContact O-N 2.91Å |
| 682 | F | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57 | -50.3 | 171.7 | 170.1 | -81.2 | 0 | 0 | 0 | 111.2 | S566 Y569 G570 V574 L648 A651 F652 Y655 H678 N679 Q680 S685 Y686 | S566-F682 WeakPolarHBondContact O-CA 3.3Å; Y569-F682 WeakPolarHBondContact O-CE2 3.33Å; G570-F682 VanDerWaalsContact CA-CD2 3.43Å; G570-F682 VanDerWaalsContact CA-CE2 3.5Å; G570-F682 WeakPolarHBondContact CA-O 3.21Å; G570-F682 VanDerWaalsContact N-CD2 3.27Å; V574-F682 HydrophobicContact CG2-CE2 4.37Å; V574-F682 HydrophobicContact CG2-CZ 3.83Å; L648-F682 HydrophobicContact CD1-CE1 3.58Å; L648-F682 HydrophobicContact CD1-CZ 4.03Å; A651-F682 HydrophobicContact CB-CE2 4.06Å; A651-F682 HydrophobicContact CB-CZ 4Å; F652-F682 HydrophobicContact CB-CE1 3.83Å; F652-F682 HydrophobicContact CB-CE2 4.24Å; F652-F682 HydrophobicContact CB-CZ 3.66Å; F652-F682 AromaticContact CD2-CD1 3.58Å; F652-F682 HydrophobicContact CD2-CD1 3.58Å; F652-F682 HydrophobicContact CD2-CD2 4.32Å; F652-F682 AromaticContact CD2-CE1 3.69Å; F652-F682 HydrophobicContact CD2-CE1 3.69Å; F652-F682 HydrophobicContact CD2-CE2 4.4Å; F652-F682 AromaticContact CD2-CG 3.93Å; F652-F682 HydrophobicContact CD2-CG 3.93Å; F652-F682 HydrophobicContact CD2-CZ 4.13Å; F652-F682 HydrophobicContact CE2-CD1 4.31Å; F652-F682 HydrophobicContact CG-CE1 4.24Å; F652-F682 HydrophobicContact CG-CZ 4.42Å; Y655-F682 HydrophobicContact CD1-CD2 4.49Å; H678-F682 PolarHBondContact O-N 2.82Å; N679-F682 WeakPolarHBondContact O-CB 3.42Å; N679-F682 PolarHBondContact O-N 2.75Å; Q680-F682 VanDerWaalsContact C-N 3.33Å; Q680-F682 PolarHBondContact O-N 3.45Å; F682-S685 WeakPolarHBondContact O-CB 3.47Å; F682-S685 PolarHBondContact O-N 3.31Å; F682-Y686 PolarHBondContact O-N 3.09Å; F682-Y686 VanDerWaalsContact O-N 3.07Å |
| 683 | F | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.8 | -39.4 | -179.6 | -73 | -56.7 | 0 | 0 | 0 | 112.3 | F78 L648 F652 N679 Q680 S685 Y686 A687 M719 F722 E724 F725 A728 F729 | F78-F683 HydrophobicContact CE1-CB 4.42Å; F78-F683 HydrophobicContact CZ-CB 4.21Å; L648-F683 HydrophobicContact CD1-CD1 4.4Å; L648-F683 HydrophobicContact CD1-CE1 4.31Å; F652-F683 HydrophobicContact CD2-CE2 4.21Å; F652-F683 AromaticContact CD2-CZ 3.88Å; F652-F683 HydrophobicContact CD2-CZ 3.88Å; F652-F683 AromaticContact CE2-CE2 3.83Å; F652-F683 HydrophobicContact CE2-CE2 3.83Å; F652-F683 AromaticContact CE2-CZ 3.93Å; F652-F683 HydrophobicContact CE2-CZ 3.93Å; F652-F683 HydrophobicContact CG-CZ 4.44Å; F652-F683 HydrophobicContact CZ-CE2 4.45Å; N679-F683 WeakPolarHBondContact O-CD2 2.84Å; N679-F683 PolarHBondContact O-N 3.01Å; Q680-F683 PolarHBondContact O-N 3.38Å; F683-S685 VanDerWaalsContact C-N 3.34Å; F683-S685 PolarHBondContact O-N 3.13Å; F683-Y686 PolarHBondContact O-N 3.18Å; F683-A687 PolarHBondContact O-N 2.93Å; F683-A687 VanDerWaalsContact O-N 3.14Å; F683-M719 HydrophobicContact CB-CE 3.81Å; F683-M719 HydrophobicContact CD1-CE 3.95Å; F683-M719 HydrophobicContact CG-CE 4.33Å; F683-M719 WeakPolarHBondContact O-CE 3.37Å; F683-F722 AromaticContact CE1-CD1 3.69Å; F683-F722 HydrophobicContact CE1-CD1 3.69Å; F683-F722 AromaticContact CE1-CE1 3.86Å; F683-F722 HydrophobicContact CE1-CE1 3.86Å; F683-F722 AromaticContact CZ-CD1 3.96Å; F683-F722 HydrophobicContact CZ-CD1 3.96Å; F683-F722 AromaticContact CZ-CE1 3.88Å; F683-F722 HydrophobicContact CZ-CE1 3.88Å; F683-E724 HydrophobicContact CZ-CB 4.16Å; F683-F725 HydrophobicContact CB-CD2 4.06Å; F683-F725 HydrophobicContact CB-CE2 4.42Å; F683-F725 HydrophobicContact CD1-CB 4.19Å; F683-F725 AromaticContact CD1-CD2 3.85Å; F683-F725 HydrophobicContact CD1-CD2 3.85Å; F683-F725 HydrophobicContact CD2-CD2 4.1Å; F683-F725 HydrophobicContact CE1-CB 3.84Å; F683-F725 HydrophobicContact CE1-CD2 4.37Å; F683-F725 HydrophobicContact CE2-CB 4.19Å; F683-F725 AromaticContact CG-CD2 3.72Å; F683-F725 HydrophobicContact CG-CD2 3.72Å; F683-F725 HydrophobicContact CZ-CB 3.85Å; F683-A728 HydrophobicContact CD2-CB 3.97Å; F683-A728 HydrophobicContact CE2-CB 3.86Å; F683-F729 HydrophobicContact CB-CE2 3.93Å; F683-F729 HydrophobicContact CD2-CE2 4.2Å; F683-F729 HydrophobicContact CG-CE2 4.44Å |
| 684 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.5 | -44.6 | 171 | -80.4 | 168.6 | 0 | 0 | 0 | 111.6 | I64 I68 F78 F81 A82 F676 Q680 L681 Y686 A687 H688 | I64-L684 HydrophobicContact CG2-CD1 4.33Å; I68-L684 HydrophobicContact CG2-CD2 3.88Å; F78-L684 HydrophobicContact CZ-CD2 3.98Å; F78-L684 HydrophobicContact CZ-CG 4.14Å; F81-L684 HydrophobicContact CD1-CD2 4.2Å; F81-L684 HydrophobicContact CE1-CD2 3.84Å; A82-L684 HydrophobicContact CB-CD2 3.97Å; F676-L684 HydrophobicContact CD1-CD1 4.48Å; F676-L684 HydrophobicContact CD2-CD1 3.69Å; F676-L684 HydrophobicContact CE2-CD1 3.92Å; F676-L684 HydrophobicContact CG-CD1 4.02Å; F676-L684 HydrophobicContact CZ-CD1 4.42Å; Q680-L684 PolarHBondContact O-N 3.18Å; L681-L684 HydrophobicContact CD2-CD1 4.28Å; L681-L684 PolarHBondContact O-N 3.05Å; L684-Y686 VanDerWaalsContact C-N 3.33Å; L684-Y686 PolarHBondContact O-N 3.48Å; L684-A687 PolarHBondContact O-N 3.35Å; L684-H688 WeakPolarHBondContact O-CB 3.38Å; L684-H688 PolarHBondContact O-N 2.92Å; L684-H688 PolarHBondContact O-ND1 3.42Å |
| 685 | S | 97.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 178.4 | -162.4 | 0 | 0 | 0 | 0 | 112.2 | L567 A571 L681 F682 F683 A687 H688 V689 | L567-S685 WeakPolarHBondContact O-CB 3.46Å; L567-S685 PolarHBondContact O-OG 2.89Å; A571-S685 WeakPolarHBondContact CB-OG 3.37Å; L681-S685 WeakPolarHBondContact O-CB 3.47Å; L681-S685 PolarHBondContact O-N 2.91Å; F682-S685 WeakPolarHBondContact O-CB 3.47Å; F682-S685 PolarHBondContact O-N 3.31Å; F683-S685 VanDerWaalsContact C-N 3.34Å; F683-S685 PolarHBondContact O-N 3.13Å; S685-A687 PolarHBondContact O-N 3.42Å; S685-H688 PolarHBondContact O-N 3.45Å; S685-V689 PolarHBondContact O-N 3.33Å |
| 686 | Y | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 174.9 | 172.8 | -98.3 | 0 | 0 | 0 | 113.4 | G570 V574 L648 F682 F683 L684 V689 R690 R714 V715 A718 M719 | G570-Y686 WeakPolarHBondContact O-CA 3.37Å; G570-Y686 VanDerWaalsContact O-CB 3.3Å; G570-Y686 WeakPolarHBondContact O-CB 3.21Å; G570-Y686 PolarHBondContact O-N 2.93Å; G570-Y686 VanDerWaalsContact O-N 3.13Å; V574-Y686 HydrophobicContact CB-CD2 3.92Å; V574-Y686 HydrophobicContact CB-CE2 4.37Å; V574-Y686 HydrophobicContact CG1-CD2 3.46Å; V574-Y686 VanDerWaalsContact CG1-CD2 3.46Å; V574-Y686 HydrophobicContact CG1-CE2 3.42Å; V574-Y686 VanDerWaalsContact CG1-CE2 3.42Å; V574-Y686 HydrophobicContact CG2-CD2 3.85Å; L648-Y686 HydrophobicContact CB-CE2 4.44Å; L648-Y686 HydrophobicContact CD1-CD1 4.22Å; L648-Y686 HydrophobicContact CD1-CD2 3.75Å; L648-Y686 HydrophobicContact CD1-CE1 4.5Å; L648-Y686 HydrophobicContact CD1-CE2 4.08Å; L648-Y686 HydrophobicContact CD1-CG 3.8Å; L648-Y686 HydrophobicContact CD2-CE1 4.3Å; F682-Y686 PolarHBondContact O-N 3.09Å; F682-Y686 VanDerWaalsContact O-N 3.07Å; F683-Y686 PolarHBondContact O-N 3.18Å; L684-Y686 VanDerWaalsContact C-N 3.33Å; L684-Y686 PolarHBondContact O-N 3.48Å; Y686-V689 VanDerWaalsContact O-CG2 3.26Å; Y686-V689 WeakPolarHBondContact O-CG2 3.42Å; Y686-R690 VanDerWaalsContact CZ-CZ 3.44Å; Y686-R690 PolarHBondContact O-NH1 2.97Å; Y686-R690 PolarHBondContact OH-NE 2.67Å; Y686-R714 PolarHBondContact OH-O 2.89Å; Y686-V715 HydrophobicContact CE1-CG2 4.36Å; Y686-A718 HydrophobicContact CE1-CB 4.48Å; Y686-A718 WeakPolarHBondContact OH-CB 3.46Å; Y686-M719 HydrophobicContact CD1-CE 3.37Å; Y686-M719 HydrophobicContact CD1-CG 4.35Å; Y686-M719 HydrophobicContact CD1-SD 4.23Å; Y686-M719 HydrophobicContact CE1-CE 4.15Å; Y686-M719 HydrophobicContact CE1-CG 4.27Å; Y686-M719 HydrophobicContact CE1-SD 4.48Å; Y686-M719 HydrophobicContact CG-CE 4.21Å |
| 687 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -71.1 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F78 A82 F683 L684 S685 V689 R690 C691 V715 M719 | F78-A687 HydrophobicContact CD1-CB 4.06Å; F78-A687 HydrophobicContact CE1-CB 3.85Å; A82-A687 HydrophobicContact CB-CB 3.53Å; F683-A687 PolarHBondContact O-N 2.93Å; F683-A687 VanDerWaalsContact O-N 3.14Å; L684-A687 PolarHBondContact O-N 3.35Å; S685-A687 PolarHBondContact O-N 3.42Å; A687-V689 VanDerWaalsContact C-N 3.34Å; A687-V689 PolarHBondContact O-N 3.01Å; A687-R690 CarbonylContact O-C 3.29Å; A687-R690 WeakPolarHBondContact O-CA 3.42Å; A687-R690 WeakPolarHBondContact O-CB 3.48Å; A687-R690 PolarHBondContact O-N 3.27Å; A687-C691 PolarHBondContact O-N 3.07Å; A687-V715 HydrophobicContact CB-CG1 3.9Å; A687-V715 HydrophobicContact CB-CG2 4.17Å; A687-M719 HydrophobicContact CB-CE 4.38Å |
| 688 | H | 97.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 14.5 Ų | 14.5 | 2% | 0.023 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | -176.9 | -73.6 | 139.8 | 0 | 0 | 0 | 113.1 | K67 A82 V101 L684 S685 R690 C691 | K67-H688 HydrophobicContact CD-CB 4.4Å; K67-H688 VanDerWaalsContact CD-CD2 3.42Å; K67-H688 WeakPolarHBondContact CD-CD2 3.47Å; A82-H688 PolarHBondContact O-CD2 3.23Å; A82-H688 VanDerWaalsContact O-CD2 3.23Å; A82-H688 PolarHBondContact O-NE2 2.98Å; V101-H688 VanDerWaalsContact CG2-O 3.28Å; V101-H688 WeakPolarHBondContact CG2-O 3.36Å; L684-H688 WeakPolarHBondContact O-CB 3.38Å; L684-H688 PolarHBondContact O-N 2.92Å; L684-H688 PolarHBondContact O-ND1 3.42Å; S685-H688 PolarHBondContact O-N 3.45Å; H688-R690 PolarHBondContact O-N 3.13Å; H688-R690 VanDerWaalsContact O-N 3.12Å; H688-C691 VanDerWaalsContact CA-SG 3.58Å; H688-C691 PolarHBondContact O-N 3.01Å; H688-C691 VanDerWaalsContact O-N 3.15Å; H688-C691 PolarHBondContact O-SG 3.24Å; H688-C691 VanDerWaalsContact O-SG 3.33Å |
| 689 | V | 96.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -11.6 | 178.8 | -64.7 | 0 | 0 | 0 | 0 | 113.5 | Y102 F557 A571 S685 Y686 A687 | Y102-V689 WeakPolarHBondContact CD2-O 3.32Å; Y102-V689 WeakPolarHBondContact CE2-O 3.39Å; F557-V689 HydrophobicContact CD1-CB 3.81Å; F557-V689 HydrophobicContact CD1-CG1 3.63Å; F557-V689 HydrophobicContact CE1-CB 3.52Å; F557-V689 HydrophobicContact CE1-CG1 3.83Å; F557-V689 HydrophobicContact CE1-CG2 4.47Å; F557-V689 HydrophobicContact CG-CG1 4.24Å; F557-V689 HydrophobicContact CZ-CB 4.28Å; A571-V689 HydrophobicContact CB-CG1 3.8Å; S685-V689 PolarHBondContact O-N 3.33Å; Y686-V689 VanDerWaalsContact O-CG2 3.26Å; Y686-V689 WeakPolarHBondContact O-CG2 3.42Å; A687-V689 VanDerWaalsContact C-N 3.34Å; A687-V689 PolarHBondContact O-N 3.01Å |
| 690 | R | 96.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 13 Ų | 13 | 3% | 0.03 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 1.4 | 177.6 | -71 | 168.6 | 176.5 | 70 | 3.9 | 113.1 | D644 Y686 A687 H688 N692 P711 V715 | D644-R690 IonicContact OD1-CZ 3.74Å; D644-R690 IonicContact OD1-NE 3.69Å; D644-R690 IonicContact OD1-NH2 3.84Å; D644-R690 PolarHBondContact OD1-NH2 3.44Å; Y686-R690 VanDerWaalsContact CZ-CZ 3.44Å; Y686-R690 PolarHBondContact O-NH1 2.97Å; Y686-R690 PolarHBondContact OH-NE 2.67Å; A687-R690 CarbonylContact O-C 3.29Å; A687-R690 WeakPolarHBondContact O-CA 3.42Å; A687-R690 WeakPolarHBondContact O-CB 3.48Å; A687-R690 PolarHBondContact O-N 3.27Å; H688-R690 PolarHBondContact O-N 3.13Å; H688-R690 VanDerWaalsContact O-N 3.12Å; R690-N692 PolarHBondContact O-N 3.4Å; R690-P711 HydrophobicContact CB-CB 4.28Å; R690-P711 WeakPolarHBondContact O-CB 3.42Å; R690-V715 HydrophobicContact CB-CG2 3.84Å; R690-V715 HydrophobicContact CG-CG2 4.39Å |
| 691 | C | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.007 | 7% | 0.07 | C | C | . | . | trans | -63.3 | 120.9 | 176.9 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | C83 W86 G100 V101 A687 H688 | C83-C691 WeakPolarHBondContact CA-SG 3.17Å; C83-C691 HydrophobicContact CB-CB 3.68Å; C83-C691 WeakPolarHBondContact CB-SG 3.48Å; C83-C691 WeakPolarHBondContact SG-CA 3.42Å; C83-C691 WeakPolarHBondContact SG-CB 3.47Å; C83-C691 CovalentContact SG-SG 2.04Å; C83-C691 PolarHBondContact SG-SG 3.22Å; W86-C691 HydrophobicContact CB-CB 4.34Å; W86-C691 HydrophobicContact CD2-CB 4.12Å; W86-C691 HydrophobicContact CE3-CB 3.94Å; W86-C691 HydrophobicContact CG-CB 4.3Å; G100-C691 CarbonylContact C-O 3.55Å; G100-C691 WeakPolarHBondContact CA-O 3.46Å; V101-C691 HydrophobicContact CG2-CB 4.17Å; V101-C691 PolarHBondContact N-O 3.09Å; A687-C691 PolarHBondContact O-N 3.07Å; H688-C691 VanDerWaalsContact CA-SG 3.58Å; H688-C691 PolarHBondContact O-N 3.01Å; H688-C691 VanDerWaalsContact O-N 3.15Å; H688-C691 PolarHBondContact O-SG 3.24Å; H688-C691 VanDerWaalsContact O-SG 3.33Å | ||
| 692 | N | 97.3 | Very high | 97.4 | Very high | 24 Ų | 24 | 15.6 Ų | 15.6 | 13% | 0.128 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 147.2 | 180 | -164.2 | -14.8 | 0 | 0 | 0 | 111 | Y79 N98 Y99 G100 R690 F694 P711 | Y79-N692 PolarHBondContact OH-N 2.9Å; Y79-N692 PolarHBondContact OH-O 3.44Å; N98-N692 PolarHBondContact OD1-ND2 2.86Å; Y99-N692 PolarHBondContact N-OD1 2.66Å; Y99-N692 PolarHBondContact O-OD1 2.71Å; G100-N692 PolarHBondContact N-OD1 3.31Å; R690-N692 PolarHBondContact O-N 3.4Å; N692-F694 HydrophobicContact CB-CE2 3.98Å; N692-P711 HydrophobicContact CB-CB 4.42Å; N692-P711 HydrophobicContact CB-CG 4Å |
| 693 | S | 97.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 15.9 Ų | 15.9 | 23% | 0.231 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.7 | 173.7 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | N98 Y99 | N98-S693 CarbonylContact C-O 3.49Å; N98-S693 WeakPolarHBondContact CA-O 3.38Å; N98-S693 VanDerWaalsContact CB-O 3.3Å; N98-S693 WeakPolarHBondContact CB-O 3.39Å; Y99-S693 PolarHBondContact N-O 2.77Å; Y99-S693 PolarHBondContact O-N 3.34Å |
| 694 | F | 97.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 16 Ų | 16 | 7% | 0.07 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.7 | -177 | -71.7 | -105.1 | 0 | 0 | 0 | 111.2 | I92 N98 W625 R627 N692 A699 Q702 P711 | I92-F694 VanDerWaalsContact CD1-C 3.47Å; N98-F694 HydrophobicContact CB-CB 4.46Å; N98-F694 HydrophobicContact CB-CD1 3.53Å; N98-F694 HydrophobicContact CB-CD2 4.36Å; N98-F694 HydrophobicContact CB-CE1 3.72Å; N98-F694 HydrophobicContact CB-CG 3.87Å; N98-F694 HydrophobicContact CB-CZ 4.23Å; W625-F694 HydrophobicContact CH2-CB 4.08Å; W625-F694 HydrophobicContact CH2-CD1 4.22Å; W625-F694 AromaticContact CH2-CD2 3.59Å; W625-F694 HydrophobicContact CH2-CD2 3.59Å; W625-F694 HydrophobicContact CH2-CE2 4.03Å; W625-F694 AromaticContact CH2-CG 3.7Å; W625-F694 HydrophobicContact CH2-CG 3.7Å; W625-F694 HydrophobicContact CZ2-CB 4.25Å; W625-F694 AromaticContact CZ2-CD2 3.9Å; W625-F694 HydrophobicContact CZ2-CD2 3.9Å; W625-F694 HydrophobicContact CZ2-CG 4.2Å; R627-F694 VanDerWaalsContact CZ-O 3.31Å; R627-F694 PolarHBondContact NE-O 2.88Å; R627-F694 PolarHBondContact NH2-O 2.96Å; N692-F694 HydrophobicContact CB-CE2 3.98Å; F694-A699 HydrophobicContact CB-CB 3.88Å; F694-Q702 HydrophobicContact CE1-CB 4.33Å; F694-Q702 HydrophobicContact CE1-CG 4.49Å; F694-P711 HydrophobicContact CE2-CG 4Å; F694-P711 HydrophobicContact CZ-CG 4.44Å |
| 695 | R | 97.9 | Very high | 96.9 | Very high | 35 Ų | 35 | 18.9 Ų | 18.9 | 13% | 0.132 | 10% | 0.097 | C | C | . | . | trans | -68 | 153.4 | 160.6 | -62.1 | -174.4 | -177.4 | -98 | -7.6 | 109.5 | I92 P93 E94 M96 S97 G393 E697 S698 A699 | I92-R695 HydrophobicContact CD1-CG 3.98Å; I92-R695 HydrophobicContact CG2-CG 4.36Å; I92-R695 PolarHBondContact O-NH2 2.84Å; P93-R695 PolarHBondContact O-NH2 3.08Å; E94-R695 IonicContact OE1-NH2 3.32Å; E94-R695 IonicContact OE2-NH1 2.89Å; E94-R695 IonicContact OE2-NH2 3.75Å; E94-R695 PolarHBondContact OE2-NH2 3.35Å; M96-R695 PolarHBondContact O-NE 2.87Å; S97-R695 WeakPolarHBondContact O-CB 3.19Å; S97-R695 WeakPolarHBondContact O-CG 3.4Å; S97-R695 PolarHBondContact O-N 3.03Å; G393-R695 WeakPolarHBondContact O-CD 3.25Å; G393-R695 PolarHBondContact O-NE 3.28Å; G393-R695 PolarHBondContact O-NH1 2.91Å; R695-E697 VanDerWaalsContact C-N 3.26Å; R695-E697 PolarHBondContact O-N 3.43Å; R695-S698 PolarHBondContact N-OG 3.36Å; R695-S698 PolarHBondContact O-N 3.34Å; R695-S698 PolarHBondContact O-OG 3.46Å; R695-A699 WeakPolarHBondContact O-CB 3.24Å; R695-A699 PolarHBondContact O-N 2.96Å | ||
| 696 | P | 97.1 | Very high | 96.7 | Very high | 52 Ų | 52 | 19.1 Ų | 19.1 | 34% | 0.338 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -57.2 | -40.8 | -175.9 | -23.7 | 34.5 | 0 | 0 | 0 | 113 | R627 A699 R700 | R627-P696 VanDerWaalsContact CZ-CD 3.42Å; P696-A699 PolarHBondContact O-N 3.27Å; P696-R700 PolarHBondContact O-N 3.17Å |
| 697 | E | 96.3 | Very high | 96.6 | Very high | 51 Ų | 51 | 20.4 Ų | 20.4 | 24% | 0.238 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | -177 | -52.8 | 74.7 | -165 | 0 | 0 | 110.6 | V390 I391 G393 R695 R700 E701 | V390-E697 WeakPolarHBondContact O-CG 3.4Å; I391-E697 WeakPolarHBondContact O-CB 3.3Å; G393-E697 WeakPolarHBondContact CA-OE2 3.39Å; R695-E697 VanDerWaalsContact C-N 3.26Å; R695-E697 PolarHBondContact O-N 3.43Å; E697-R700 WeakPolarHBondContact O-CB 3.45Å; E697-R700 PolarHBondContact O-N 2.93Å; E697-E701 PolarHBondContact O-N 2.02Å |
| 698 | S | 96.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -73.6 | -28.7 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | S97 R695 R700 E701 Q702 | S97-S698 PolarHBondContact O-OG 3.23Å; R695-S698 PolarHBondContact N-OG 3.36Å; R695-S698 PolarHBondContact O-N 3.34Å; R695-S698 PolarHBondContact O-OG 3.46Å; S698-R700 VanDerWaalsContact C-N 3.34Å; S698-E701 PolarHBondContact O-N 3.12Å; S698-Q702 WeakPolarHBondContact O-CB 3.4Å; S698-Q702 PolarHBondContact O-N 3.09Å |
| 699 | A | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | W625 R627 A628 F694 R695 P696 Q702 I703 | W625-A699 HydrophobicContact CD2-CB 4.44Å; W625-A699 HydrophobicContact CE3-CB 4.11Å; W625-A699 HydrophobicContact CH2-CB 3.75Å; W625-A699 HydrophobicContact CZ2-CB 4.08Å; W625-A699 HydrophobicContact CZ3-CB 3.76Å; R627-A699 HydrophobicContact CB-CB 4.26Å; R627-A699 HydrophobicContact CG-CB 3.77Å; A628-A699 HydrophobicContact CB-CB 3.94Å; A628-A699 WeakPolarHBondContact CB-O 3.44Å; F694-A699 HydrophobicContact CB-CB 3.88Å; R695-A699 WeakPolarHBondContact O-CB 3.24Å; R695-A699 PolarHBondContact O-N 2.96Å; P696-A699 PolarHBondContact O-N 3.27Å; A699-Q702 PolarHBondContact O-N 3.08Å; A699-I703 WeakPolarHBondContact O-CG1 3.31Å; A699-I703 PolarHBondContact O-N 3.38Å |
| 700 | R | 96.5 | Very high | 96.7 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 3% | 0.034 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.5 | -47.4 | 173 | 175.9 | 175.4 | 174.1 | 86.7 | 8.2 | 111.1 | D232 E235 T237 L630 P696 E697 S698 Q702 I703 H704 | D232-R700 IonicContact OD1-NE 3.81Å; D232-R700 IonicContact OD1-NH2 2.84Å; E235-R700 IonicContact OE2-CZ 3.68Å; E235-R700 IonicContact OE2-NH1 2.62Å; E235-R700 IonicContact OE2-NH2 3.11Å; E235-R700 PolarHBondContact OE2-NH2 3.36Å; T237-R700 PolarHBondContact OG1-NH2 3.45Å; L630-R700 HydrophobicContact CD1-CG 3.91Å; P696-R700 PolarHBondContact O-N 3.17Å; E697-R700 WeakPolarHBondContact O-CB 3.45Å; E697-R700 PolarHBondContact O-N 2.93Å; S698-R700 VanDerWaalsContact C-N 3.34Å; R700-Q702 VanDerWaalsContact C-N 3.33Å; R700-Q702 PolarHBondContact O-N 3.38Å; R700-I703 PolarHBondContact O-N 2.95Å; R700-I703 VanDerWaalsContact O-N 3.13Å; R700-H704 VanDerWaalsContact CZ-NE2 3.25Å; R700-H704 PolarHBondContact NH2-NE2 3.49Å; R700-H704 PolarHBondContact O-CD2 3.41Å; R700-H704 PolarHBondContact O-N 2.94Å |
| 701 | E | 95.8 | Very high | 96.7 | Very high | 40 Ų | 40 | 23.7 Ų | 23.7 | 19% | 0.187 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.8 | -47.9 | 174.7 | -177.9 | 178.5 | -142.2 | 0 | 0 | 111.4 | A228 H392 E697 S698 I703 H704 I705 | A228-E701 VanDerWaalsContact CB-OE1 3.27Å; A228-E701 WeakPolarHBondContact CB-OE1 3.26Å; H392-E701 IonicContact CD2-OE2 3.47Å; H392-E701 PolarHBondContact CD2-OE2 3.44Å; H392-E701 IonicContact NE2-OE1 3.8Å; H392-E701 IonicContact NE2-OE2 3.38Å; E697-E701 PolarHBondContact O-N 2.02Å; S698-E701 PolarHBondContact O-N 3.12Å; E701-I703 VanDerWaalsContact C-N 3.26Å; E701-I703 PolarHBondContact O-N 3.1Å; E701-H704 PolarHBondContact O-N 3.47Å; E701-I705 HydrophobicContact CG-CD1 3.51Å; E701-I705 HydrophobicContact CG-CG1 3.8Å; E701-I705 WeakPolarHBondContact O-CG1 3.29Å; E701-I705 PolarHBondContact O-N 3.04Å |
| 702 | Q | 96.8 | Very high | 96.7 | Very high | 45 Ų | 45 | 25.6 Ų | 25.6 | 21% | 0.21 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.6 | -37.4 | 177.8 | 177.4 | 62 | 27.3 | 0 | 0 | 112.9 | W625 F694 S698 A699 R700 G706 H708 | W625-Q702 HydrophobicContact CZ3-CB 4.21Å; W625-Q702 HydrophobicContact CZ3-CG 4.17Å; F694-Q702 HydrophobicContact CE1-CB 4.33Å; F694-Q702 HydrophobicContact CE1-CG 4.49Å; S698-Q702 WeakPolarHBondContact O-CB 3.4Å; S698-Q702 PolarHBondContact O-N 3.09Å; A699-Q702 PolarHBondContact O-N 3.08Å; R700-Q702 VanDerWaalsContact C-N 3.33Å; R700-Q702 PolarHBondContact O-N 3.38Å; Q702-G706 WeakPolarHBondContact O-CA 3.5Å; Q702-G706 PolarHBondContact O-N 3.42Å; Q702-H708 PolarHBondContact NE2-O 3.45Å |
| 703 | I | 97 | Very high | 96.8 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.036 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.7 | -39.5 | 176.1 | -65.9 | -63.8 | 0 | 0 | 0 | 111.7 | W625 A628 L630 H631 V632 K633 A699 R700 E701 P710 | W625-I703 HydrophobicContact CE3-CD1 3.95Å; W625-I703 HydrophobicContact CE3-CG1 4.05Å; A628-I703 HydrophobicContact CB-CG1 3.83Å; L630-I703 HydrophobicContact CB-CB 4.42Å; L630-I703 HydrophobicContact CB-CG1 4.32Å; L630-I703 HydrophobicContact CB-CG2 3.88Å; L630-I703 HydrophobicContact CD1-CB 4.11Å; L630-I703 HydrophobicContact CD1-CG2 3.86Å; H631-I703 VanDerWaalsContact O-CG2 3.31Å; H631-I703 WeakPolarHBondContact O-CG2 3.38Å; V632-I703 HydrophobicContact CG2-CD1 3.95Å; K633-I703 HydrophobicContact CG-CG2 4.35Å; A699-I703 WeakPolarHBondContact O-CG1 3.31Å; A699-I703 PolarHBondContact O-N 3.38Å; R700-I703 PolarHBondContact O-N 2.95Å; R700-I703 VanDerWaalsContact O-N 3.13Å; E701-I703 VanDerWaalsContact C-N 3.26Å; E701-I703 PolarHBondContact O-N 3.1Å; I703-P710 HydrophobicContact CD1-CG 3.69Å |
| 704 | H | 95.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -76.8 | -43 | -177.5 | -71.1 | -64.7 | 0 | 0 | 0 | 112.9 | S229 E231 E235 L630 R636 R700 E701 | S229-H704 WeakPolarHBondContact OG-CB 2.98Å; E231-H704 WeakPolarHBondContact CB-ND1 3.36Å; E231-H704 WeakPolarHBondContact CG-ND1 3.29Å; E231-H704 IonicContact OE2-ND1 3.56Å; E235-H704 IonicContact OE1-CE1 2.74Å; E235-H704 PolarHBondContact OE1-CE1 2.78Å; E235-H704 IonicContact OE2-CE1 3.41Å; L630-H704 WeakPolarHBondContact CD1-NE2 3.31Å; R636-H704 PolarHBondContact NE-O 3.4Å; R636-H704 PolarHBondContact NH1-O 2.84Å; R700-H704 VanDerWaalsContact CZ-NE2 3.25Å; R700-H704 PolarHBondContact NH2-NE2 3.49Å; R700-H704 PolarHBondContact O-CD2 3.41Å; R700-H704 PolarHBondContact O-N 2.94Å; E701-H704 PolarHBondContact O-N 3.47Å |
| 705 | I | 94.4 | Very high | 96.9 | Very high | 61 Ų | 61 | 24.2 Ų | 24.2 | 31% | 0.313 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -112.7 | -18.5 | -170.2 | 78.5 | 174.3 | 0 | 0 | 0 | 114.3 | A228 R636 E701 A707 | A228-I705 HydrophobicContact CB-CD1 3.88Å; R636-I705 VanDerWaalsContact NH2-CA 3.27Å; R636-I705 PolarHBondContact NH2-O 3.16Å; E701-I705 HydrophobicContact CG-CD1 3.51Å; E701-I705 HydrophobicContact CG-CG1 3.8Å; E701-I705 WeakPolarHBondContact O-CG1 3.29Å; E701-I705 PolarHBondContact O-N 3.04Å; I705-A707 PolarHBondContact O-N 3.27Å |
| 706 | G | 94 | Very high | 96.9 | Very high | 8 Ų | 8 | 23 Ų | 23 | 8% | 0.082 | 12% | 0.121 | C | C | . | . | trans | -64.3 | 131.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R636 Q702 H708 | R636-G706 VanDerWaalsContact CD-O 3.3Å; R636-G706 WeakPolarHBondContact CD-O 2.99Å; R636-G706 PolarHBondContact NE-O 3.15Å; Q702-G706 WeakPolarHBondContact O-CA 3.5Å; Q702-G706 PolarHBondContact O-N 3.42Å; G706-H708 VanDerWaalsContact C-N 3.33Å | ||
| 707 | A | 95.1 | Very high | 97 | Very high | 27 Ų | 27 | 20.6 Ų | 20.6 | 22% | 0.223 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -75.3 | -29.1 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | T637 E640 I705 | T637-A707 VanDerWaalsContact CA-O 3.26Å; T637-A707 WeakPolarHBondContact CA-O 3.37Å; E640-A707 HydrophobicContact CG-CB 4.35Å; E640-A707 WeakPolarHBondContact CG-O 3.36Å; I705-A707 PolarHBondContact O-N 3.27Å |
| 708 | H | 97.3 | Very high | 97.1 | Very high | 59 Ų | 59 | 18.2 Ų | 18.2 | 27% | 0.273 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -89.7 | 146.1 | 177.9 | -66.3 | 85.2 | 0 | 0 | 0 | 111.9 | E640 Q702 G706 R714 | E640-H708 HydrophobicContact CG-CB 4.37Å; E640-H708 IonicContact OE2-CD2 2.74Å; E640-H708 PolarHBondContact OE2-CD2 3.21Å; E640-H708 IonicContact OE2-CE1 3.38Å; E640-H708 IonicContact OE2-NE2 2.65Å; E640-H708 PolarHBondContact OE2-NE2 3.5Å; Q702-H708 PolarHBondContact NE2-O 3.45Å; G706-H708 VanDerWaalsContact C-N 3.33Å; H708-R714 VanDerWaalsContact CD2-CZ 3.43Å; H708-R714 PolarHBondContact CD2-NH1 2.97Å; H708-R714 VanDerWaalsContact CD2-NH1 3.34Å |
| 709 | S | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 151.2 | 163.8 | -69.4 | 0 | 0 | 0 | 0 | 111 | Y620 T637 N641 R714 | Y620-S709 VanDerWaalsContact CD1-OG 3.24Å; Y620-S709 WeakPolarHBondContact CD1-OG 3.38Å; T637-S709 WeakPolarHBondContact CB-OG 3.5Å; T637-S709 PolarHBondContact OG1-OG 2.88Å; N641-S709 PolarHBondContact ND2-OG 3.11Å; N641-S709 WeakPolarHBondContact OD1-CB 3.48Å; N641-S709 PolarHBondContact OD1-OG 3.23Å; S709-R714 WeakPolarHBondContact O-CD 3.4Å; S709-R714 WeakPolarHBondContact O-CG 3.24Å |
| 710 | P | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.013 | 9% | 0.094 | C | C | . | . | P | Polyproline II helix | trans | -51.4 | 144.7 | 171.3 | -27.7 | 35 | 0 | 0 | 0 | 111.7 | W625 V632 I703 Q712 F713 R714 | W625-P710 HydrophobicContact CD2-CB 4.03Å; W625-P710 HydrophobicContact CD2-CG 4.05Å; W625-P710 HydrophobicContact CE3-CB 3.63Å; W625-P710 HydrophobicContact CE3-CG 3.33Å; W625-P710 HydrophobicContact CH2-CB 3.86Å; W625-P710 HydrophobicContact CH2-CG 4.34Å; W625-P710 HydrophobicContact CZ2-CB 4.24Å; W625-P710 HydrophobicContact CZ3-CB 3.55Å; W625-P710 HydrophobicContact CZ3-CG 3.51Å; V632-P710 HydrophobicContact CG2-CG 4Å; I703-P710 HydrophobicContact CD1-CG 3.69Å; P710-Q712 VanDerWaalsContact C-N 3.28Å; P710-Q712 PolarHBondContact O-N 2.94Å; P710-Q712 VanDerWaalsContact O-N 3.1Å; P710-F713 HydrophobicContact CB-CD2 3.9Å; P710-F713 HydrophobicContact CB-CE2 4.49Å; P710-F713 HydrophobicContact CG-CD2 3.94Å; P710-F713 HydrophobicContact CG-CE2 4.44Å; P710-F713 PolarHBondContact O-N 3.01Å; P710-R714 PolarHBondContact O-N 2.9Å; P710-R714 VanDerWaalsContact O-N 3.12Å |
| 711 | P | 97.4 | Very high | 97.2 | Very high | 20 Ų | 20 | 17.8 Ų | 17.8 | 13% | 0.13 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.2 | -36.3 | -167.6 | -29.2 | 37.6 | 0 | 0 | 0 | 114.9 | Y79 R690 N692 F694 F713 R714 V715 | Y79-P711 HydrophobicContact CE2-CB 4.44Å; R690-P711 HydrophobicContact CB-CB 4.28Å; R690-P711 WeakPolarHBondContact O-CB 3.42Å; N692-P711 HydrophobicContact CB-CB 4.42Å; N692-P711 HydrophobicContact CB-CG 4Å; F694-P711 HydrophobicContact CE2-CG 4Å; F694-P711 HydrophobicContact CZ-CG 4.44Å; P711-F713 VanDerWaalsContact C-N 3.28Å; P711-F713 PolarHBondContact O-N 3.37Å; P711-R714 WeakPolarHBondContact O-CB 3.24Å; P711-R714 PolarHBondContact O-N 3.24Å; P711-V715 PolarHBondContact O-N 2.88Å; P711-V715 VanDerWaalsContact O-N 3.13Å |
| 712 | Q | 97.6 | Very high | 97.3 | Very high | 41 Ų | 41 | 16.3 Ų | 16.3 | 19% | 0.192 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59 | -36.6 | 174.3 | 68.1 | 177.8 | -4.8 | 0 | 0 | 113.5 | Y79 P710 V715 I716 | Y79-Q712 HydrophobicContact CD1-CB 3.51Å; Y79-Q712 HydrophobicContact CD2-CB 4.04Å; Y79-Q712 HydrophobicContact CE1-CB 3.81Å; Y79-Q712 HydrophobicContact CE2-CB 4.29Å; Y79-Q712 HydrophobicContact CG-CB 3.63Å; P710-Q712 VanDerWaalsContact C-N 3.28Å; P710-Q712 PolarHBondContact O-N 2.94Å; P710-Q712 VanDerWaalsContact O-N 3.1Å; Q712-V715 PolarHBondContact O-N 3.18Å; Q712-I716 WeakPolarHBondContact O-CB 3.35Å; Q712-I716 WeakPolarHBondContact O-CD1 3.44Å; Q712-I716 VanDerWaalsContact O-CG1 3.24Å; Q712-I716 WeakPolarHBondContact O-CG1 3.29Å; Q712-I716 PolarHBondContact O-N 3.44Å |
| 713 | F | 98.6 | Very high | 97.3 | Very high | 16 Ų | 16 | 16.3 Ų | 16.3 | 7% | 0.07 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -86.5 | -19.5 | -178.7 | -60.1 | -52.9 | 0 | 0 | 0 | 112.5 | Y620 Y623 W625 V632 P710 P711 G717 | Y620-F713 WeakPolarHBondContact CE1-O 3.5Å; Y623-F713 AromaticContact CD1-CD1 3.88Å; Y623-F713 HydrophobicContact CD1-CD1 3.88Å; Y623-F713 AromaticContact CD1-CE1 3.95Å; Y623-F713 HydrophobicContact CD1-CE1 3.95Å; Y623-F713 HydrophobicContact CD2-CB 3.82Å; Y623-F713 AromaticContact CD2-CD1 3.69Å; Y623-F713 HydrophobicContact CD2-CD1 3.69Å; Y623-F713 HydrophobicContact CD2-CE1 4.43Å; Y623-F713 AromaticContact CD2-CG 3.8Å; Y623-F713 HydrophobicContact CD2-CG 3.8Å; Y623-F713 HydrophobicContact CE1-CD1 4.46Å; Y623-F713 HydrophobicContact CE2-CB 4.27Å; Y623-F713 HydrophobicContact CE2-CD1 4.3Å; Y623-F713 HydrophobicContact CG-CB 4.45Å; Y623-F713 AromaticContact CG-CD1 3.48Å; Y623-F713 HydrophobicContact CG-CD1 3.48Å; Y623-F713 VanDerWaalsContact CG-CD1 3.48Å; Y623-F713 AromaticContact CG-CE1 3.76Å; Y623-F713 HydrophobicContact CG-CE1 3.76Å; Y623-F713 AromaticContact CG-CG 3.92Å; Y623-F713 HydrophobicContact CG-CG 3.92Å; Y623-F713 HydrophobicContact CG-CZ 4.38Å; W625-F713 HydrophobicContact CB-CE2 3.9Å; W625-F713 HydrophobicContact CB-CZ 4.5Å; W625-F713 HydrophobicContact CG-CE2 4.19Å; V632-F713 HydrophobicContact CG2-CD2 3.54Å; V632-F713 HydrophobicContact CG2-CE2 3.86Å; V632-F713 HydrophobicContact CG2-CG 4.41Å; P710-F713 HydrophobicContact CB-CD2 3.9Å; P710-F713 HydrophobicContact CB-CE2 4.49Å; P710-F713 HydrophobicContact CG-CD2 3.94Å; P710-F713 HydrophobicContact CG-CE2 4.44Å; P710-F713 PolarHBondContact O-N 3.01Å; P711-F713 VanDerWaalsContact C-N 3.28Å; P711-F713 PolarHBondContact O-N 3.37Å; F713-G717 VanDerWaalsContact O-CA 3.25Å; F713-G717 WeakPolarHBondContact O-CA 3.22Å; F713-G717 PolarHBondContact O-N 3.44Å |
| 714 | R | 98.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 18.5 Ų | 18.5 | 11% | 0.106 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.5 | -47.1 | 163.4 | -60.6 | -177.2 | 68.4 | 178.2 | 3.9 | 109.7 | H578 D644 Y686 H708 S709 P710 P711 A718 | H578-R714 PolarHBondContact CE1-NH2 3.14Å; D644-R714 IonicContact OD1-CZ 3.58Å; D644-R714 IonicContact OD1-NE 2.78Å; D644-R714 PolarHBondContact OD1-NE 3.07Å; D644-R714 IonicContact OD1-NH2 3.7Å; D644-R714 PolarHBondContact OD1-NH2 3.24Å; D644-R714 WeakPolarHBondContact OD2-CG 3.31Å; D644-R714 IonicContact OD2-CZ 2.82Å; D644-R714 IonicContact OD2-NE 3.85Å; D644-R714 PolarHBondContact OD2-NE 3.36Å; D644-R714 IonicContact OD2-NH2 2.77Å; D644-R714 PolarHBondContact OD2-NH2 2.8Å; Y686-R714 PolarHBondContact OH-O 2.89Å; H708-R714 VanDerWaalsContact CD2-CZ 3.43Å; H708-R714 PolarHBondContact CD2-NH1 2.97Å; H708-R714 VanDerWaalsContact CD2-NH1 3.34Å; S709-R714 WeakPolarHBondContact O-CD 3.4Å; S709-R714 WeakPolarHBondContact O-CG 3.24Å; P710-R714 PolarHBondContact O-N 2.9Å; P710-R714 VanDerWaalsContact O-N 3.12Å; P711-R714 WeakPolarHBondContact O-CB 3.24Å; P711-R714 PolarHBondContact O-N 3.24Å; R714-A718 VanDerWaalsContact O-CB 3.28Å; R714-A718 WeakPolarHBondContact O-CB 3.46Å; R714-A718 PolarHBondContact O-N 2.67Å |
| 715 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.8 | -60.1 | 177.1 | 177.6 | 0 | 0 | 0 | 0 | 112 | F78 Y79 Y686 A687 R690 P711 Q712 G717 M719 | F78-V715 HydrophobicContact CD1-CG1 4.03Å; Y79-V715 HydrophobicContact CD2-CB 4.08Å; Y79-V715 HydrophobicContact CD2-CG2 3.89Å; Y686-V715 HydrophobicContact CE1-CG2 4.36Å; A687-V715 HydrophobicContact CB-CG1 3.9Å; A687-V715 HydrophobicContact CB-CG2 4.17Å; R690-V715 HydrophobicContact CB-CG2 3.84Å; R690-V715 HydrophobicContact CG-CG2 4.39Å; P711-V715 PolarHBondContact O-N 2.88Å; P711-V715 VanDerWaalsContact O-N 3.13Å; Q712-V715 PolarHBondContact O-N 3.18Å; V715-G717 PolarHBondContact O-N 2.98Å; V715-M719 HydrophobicContact CG1-CE 4.38Å; V715-M719 HydrophobicContact CG1-SD 3.55Å; V715-M719 VanDerWaalsContact CG1-SD 3.55Å; V715-M719 VanDerWaalsContact O-CB 3.31Å; V715-M719 WeakPolarHBondContact O-CB 3.05Å; V715-M719 WeakPolarHBondContact O-CG 3.3Å; V715-M719 PolarHBondContact O-N 2.88Å; V715-M719 VanDerWaalsContact O-N 3.1Å |
| 716 | I | 98.5 | Very high | 97.6 | Very high | 11 Ų | 11 | 19 Ų | 19 | 6% | 0.056 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | -176.7 | -66.8 | 165.2 | 0 | 0 | 0 | 110.8 | Q712 S720 T736 M737 | Q712-I716 WeakPolarHBondContact O-CB 3.35Å; Q712-I716 WeakPolarHBondContact O-CD1 3.44Å; Q712-I716 VanDerWaalsContact O-CG1 3.24Å; Q712-I716 WeakPolarHBondContact O-CG1 3.29Å; Q712-I716 PolarHBondContact O-N 3.44Å; I716-S720 WeakPolarHBondContact O-CB 3.28Å; I716-S720 PolarHBondContact O-N 3.48Å; I716-S720 PolarHBondContact O-OG 3.01Å; I716-T736 HydrophobicContact CG2-CG2 4.45Å; I716-M737 HydrophobicContact CB-SD 4.16Å; I716-M737 HydrophobicContact CG1-SD 3.93Å; I716-M737 HydrophobicContact CG2-SD 3.91Å |
| 717 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -50.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q619 F713 V715 S720 N721 | Q619-G717 PolarHBondContact NE2-O 3.38Å; F713-G717 VanDerWaalsContact O-CA 3.25Å; F713-G717 WeakPolarHBondContact O-CA 3.22Å; F713-G717 PolarHBondContact O-N 3.44Å; V715-G717 PolarHBondContact O-N 2.98Å; G717-S720 PolarHBondContact O-OG 3.42Å; G717-N721 PolarHBondContact O-ND2 3.34Å |
| 718 | A | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70 | -44.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y620 D644 L648 Y686 R714 N721 | Y620-A718 PolarHBondContact OH-N 2.94Å; D644-A718 HydrophobicContact CB-CB 4.36Å; L648-A718 HydrophobicContact CD2-CB 4.02Å; Y686-A718 HydrophobicContact CE1-CB 4.48Å; Y686-A718 WeakPolarHBondContact OH-CB 3.46Å; R714-A718 VanDerWaalsContact O-CB 3.28Å; R714-A718 WeakPolarHBondContact O-CB 3.46Å; R714-A718 PolarHBondContact O-N 2.67Å; A718-N721 PolarHBondContact O-N 2.87Å |
| 719 | M | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.3 | -37.9 | -177.2 | -72.3 | 170.2 | 158.1 | 0 | 0 | 113.1 | F78 L648 F683 Y686 A687 V715 N721 F722 F725 M737 | F78-M719 HydrophobicContact CB-SD 4.45Å; F78-M719 HydrophobicContact CD1-CE 3.7Å; F78-M719 HydrophobicContact CD1-SD 3.32Å; F78-M719 WeakPolarHBondContact CD1-SD 3.34Å; F78-M719 HydrophobicContact CE1-CE 3.49Å; F78-M719 VanDerWaalsContact CE1-CE 3.49Å; F78-M719 HydrophobicContact CE1-SD 3.78Å; F78-M719 HydrophobicContact CG-SD 4.05Å; F78-M719 HydrophobicContact CZ-CE 4.45Å; L648-M719 HydrophobicContact CD2-CG 3.99Å; F683-M719 HydrophobicContact CB-CE 3.81Å; F683-M719 HydrophobicContact CD1-CE 3.95Å; F683-M719 HydrophobicContact CG-CE 4.33Å; F683-M719 WeakPolarHBondContact O-CE 3.37Å; Y686-M719 HydrophobicContact CD1-CE 3.37Å; Y686-M719 HydrophobicContact CD1-CG 4.35Å; Y686-M719 HydrophobicContact CD1-SD 4.23Å; Y686-M719 HydrophobicContact CE1-CE 4.15Å; Y686-M719 HydrophobicContact CE1-CG 4.27Å; Y686-M719 HydrophobicContact CE1-SD 4.48Å; Y686-M719 HydrophobicContact CG-CE 4.21Å; A687-M719 HydrophobicContact CB-CE 4.38Å; V715-M719 HydrophobicContact CG1-CE 4.38Å; V715-M719 HydrophobicContact CG1-SD 3.55Å; V715-M719 VanDerWaalsContact CG1-SD 3.55Å; V715-M719 VanDerWaalsContact O-CB 3.31Å; V715-M719 WeakPolarHBondContact O-CB 3.05Å; V715-M719 WeakPolarHBondContact O-CG 3.3Å; V715-M719 PolarHBondContact O-N 2.88Å; V715-M719 VanDerWaalsContact O-N 3.1Å; M719-N721 PolarHBondContact O-N 3.48Å; M719-F722 PolarHBondContact O-N 3.36Å; M719-F725 HydrophobicContact CB-CB 4.42Å; M719-F725 HydrophobicContact CB-CD1 4.15Å; M719-F725 HydrophobicContact CB-CD2 3.98Å; M719-F725 HydrophobicContact CB-CE2 4.33Å; M719-F725 HydrophobicContact CB-CG 3.88Å; M719-F725 HydrophobicContact CE-CD2 4.37Å; M719-F725 HydrophobicContact CE-CE2 4.42Å; M719-F725 HydrophobicContact CG-CD2 4Å; M719-F725 HydrophobicContact CG-CE2 4.4Å; M719-F725 HydrophobicContact CG-CG 4.32Å; M719-F725 HydrophobicContact SD-CD2 4.04Å; M719-F725 HydrophobicContact SD-CE2 3.9Å; M719-M737 HydrophobicContact CB-CE 3.59Å; M719-M737 HydrophobicContact SD-CE 4.37Å |
| 720 | S | 97.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.6 | -20.3 | 179.1 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | I716 G717 M737 R739 | I716-S720 WeakPolarHBondContact O-CB 3.28Å; I716-S720 PolarHBondContact O-N 3.48Å; I716-S720 PolarHBondContact O-OG 3.01Å; G717-S720 PolarHBondContact O-OG 3.42Å; S720-M737 WeakPolarHBondContact CA-O 3.28Å; S720-R739 PolarHBondContact O-N 3.07Å; S720-R739 VanDerWaalsContact OG-CD 3.27Å; S720-R739 WeakPolarHBondContact OG-CD 3.31Å |
| 721 | N | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -8 | 172.8 | -71.4 | -28.2 | 0 | 0 | 0 | 113.6 | Q619 N645 R649 G717 A718 M719 R739 S743 C744 | Q619-N721 PolarHBondContact NE2-ND2 3.45Å; Q619-N721 PolarHBondContact NE2-OD1 2.88Å; Q619-N721 PolarHBondContact OE1-ND2 2.69Å; Q619-N721 PolarHBondContact OE1-OD1 2.85Å; N645-N721 PolarHBondContact OD1-ND2 3.24Å; R649-N721 PolarHBondContact NH2-O 2.89Å; G717-N721 PolarHBondContact O-ND2 3.34Å; A718-N721 PolarHBondContact O-N 2.87Å; M719-N721 PolarHBondContact O-N 3.48Å; N721-R739 WeakPolarHBondContact OD1-CD 3.29Å; N721-R739 PolarHBondContact OD1-NE 3.33Å; N721-S743 WeakPolarHBondContact OD1-CA 3.2Å; N721-C744 PolarHBondContact OD1-N 3.44Å |
| 722 | F | 97.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | trans | -108.1 | 116.1 | -168.8 | -167.2 | -166.3 | 0 | 0 | 0 | 112.8 | L648 R649 F652 F683 M719 E724 F725 R726 | L648-F722 HydrophobicContact CD2-CD1 3.94Å; L648-F722 HydrophobicContact CG-CD1 3.91Å; L648-F722 HydrophobicContact CG-CE1 4.2Å; R649-F722 HydrophobicContact CB-CZ 4.43Å; R649-F722 HydrophobicContact CG-CD1 4.45Å; R649-F722 HydrophobicContact CG-CD2 3.93Å; R649-F722 HydrophobicContact CG-CE1 4.35Å; R649-F722 HydrophobicContact CG-CE2 3.84Å; R649-F722 HydrophobicContact CG-CG 4.26Å; R649-F722 HydrophobicContact CG-CZ 4.06Å; F652-F722 HydrophobicContact CB-CE1 3.74Å; F652-F722 HydrophobicContact CB-CZ 3.81Å; F652-F722 HydrophobicContact CD1-CE1 4.32Å; F652-F722 AromaticContact CD1-CZ 3.84Å; F652-F722 HydrophobicContact CD1-CZ 3.84Å; F652-F722 HydrophobicContact CG-CE1 4.01Å; F652-F722 AromaticContact CG-CZ 3.97Å; F652-F722 HydrophobicContact CG-CZ 3.97Å; F683-F722 AromaticContact CE1-CD1 3.69Å; F683-F722 HydrophobicContact CE1-CD1 3.69Å; F683-F722 AromaticContact CE1-CE1 3.86Å; F683-F722 HydrophobicContact CE1-CE1 3.86Å; F683-F722 AromaticContact CZ-CD1 3.96Å; F683-F722 HydrophobicContact CZ-CD1 3.96Å; F683-F722 AromaticContact CZ-CE1 3.88Å; F683-F722 HydrophobicContact CZ-CE1 3.88Å; M719-F722 PolarHBondContact O-N 3.36Å; F722-E724 VanDerWaalsContact C-N 3.27Å; F722-E724 HydrophobicContact CD2-CB 4.19Å; F722-E724 HydrophobicContact CD2-CG 4.36Å; F722-E724 HydrophobicContact CE1-CB 4.12Å; F722-E724 HydrophobicContact CE2-CB 3.71Å; F722-E724 HydrophobicContact CE2-CG 3.58Å; F722-E724 HydrophobicContact CZ-CB 3.67Å; F722-E724 HydrophobicContact CZ-CG 3.78Å; F722-E724 PolarHBondContact O-N 2.92Å; F722-F725 HydrophobicContact CB-CB 4.38Å; F722-F725 WeakPolarHBondContact O-CB 3.4Å; F722-F725 PolarHBondContact O-N 2.9Å; F722-F725 VanDerWaalsContact O-N 3.15Å; F722-R726 PolarHBondContact O-N 3.37Å | ||
| 723 | E | 96.6 | Very high | 97.2 | Very high | 45 Ų | 45 | 34.8 Ų | 34.8 | 21% | 0.21 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -31.4 | -178 | 62.4 | -75.7 | 174.2 | 0 | 0 | 114.2 | R649 F725 R726 K727 | R649-E723 IonicContact CZ-OE1 3.07Å; R649-E723 IonicContact CZ-OE2 2.75Å; R649-E723 IonicContact NH1-OE1 2.86Å; R649-E723 PolarHBondContact NH1-OE1 3.35Å; R649-E723 IonicContact NH1-OE2 3.27Å; R649-E723 PolarHBondContact NH1-OE2 3.47Å; R649-E723 VanDerWaalsContact NH1-OE2 3.11Å; R649-E723 IonicContact NH2-OE1 2.67Å; R649-E723 IonicContact NH2-OE2 3.04Å; R649-E723 PolarHBondContact NH2-OE2 3.46Å; E723-F725 VanDerWaalsContact C-N 3.35Å; E723-R726 WeakPolarHBondContact O-CG 3.23Å; E723-K727 VanDerWaalsContact O-CG 3.28Å; E723-K727 WeakPolarHBondContact O-CG 3.25Å; E723-K727 PolarHBondContact O-N 2.88Å; E723-K727 VanDerWaalsContact O-N 3.16Å |
| 724 | E | 97.9 | Very high | 96.3 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.7 | -29.3 | 178.9 | -63 | -56.6 | 131 | 0 | 0 | 112 | F652 F683 F722 K727 A728 | F652-E724 HydrophobicContact CD1-CB 3.89Å; F652-E724 HydrophobicContact CD1-CG 3.85Å; F652-E724 HydrophobicContact CE1-CB 3.52Å; F652-E724 HydrophobicContact CE1-CG 3.54Å; F652-E724 HydrophobicContact CZ-CB 3.94Å; F652-E724 HydrophobicContact CZ-CG 4.4Å; F683-E724 HydrophobicContact CZ-CB 4.16Å; F722-E724 VanDerWaalsContact C-N 3.27Å; F722-E724 HydrophobicContact CD2-CB 4.19Å; F722-E724 HydrophobicContact CD2-CG 4.36Å; F722-E724 HydrophobicContact CE1-CB 4.12Å; F722-E724 HydrophobicContact CE2-CB 3.71Å; F722-E724 HydrophobicContact CE2-CG 3.58Å; F722-E724 HydrophobicContact CZ-CB 3.67Å; F722-E724 HydrophobicContact CZ-CG 3.78Å; F722-E724 PolarHBondContact O-N 2.92Å; E724-K727 PolarHBondContact O-N 3.45Å; E724-K727 IonicContact OE1-NZ 2.94Å; E724-K727 PolarHBondContact OE1-NZ 3.44Å; E724-A728 VanDerWaalsContact O-CB 3.31Å; E724-A728 WeakPolarHBondContact O-CB 3.46Å; E724-A728 PolarHBondContact O-N 2.9Å |
| 725 | F | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -52.5 | 172.9 | 171 | -91.6 | 0 | 0 | 0 | 110.9 | F78 F683 M719 F722 E723 K727 A728 F729 M737 | F78-F725 HydrophobicContact CB-CE2 4.43Å; F78-F725 HydrophobicContact CB-CZ 4.03Å; F78-F725 HydrophobicContact CD1-CE2 4.02Å; F78-F725 HydrophobicContact CD1-CZ 4.45Å; F78-F725 AromaticContact CD2-CE2 3.49Å; F78-F725 HydrophobicContact CD2-CE2 3.49Å; F78-F725 VanDerWaalsContact CD2-CE2 3.49Å; F78-F725 AromaticContact CD2-CZ 3.43Å; F78-F725 HydrophobicContact CD2-CZ 3.43Å; F78-F725 VanDerWaalsContact CD2-CZ 3.43Å; F78-F725 HydrophobicContact CE1-CE2 4.09Å; F78-F725 AromaticContact CE2-CE2 3.59Å; F78-F725 HydrophobicContact CE2-CE2 3.59Å; F78-F725 AromaticContact CE2-CZ 3.95Å; F78-F725 HydrophobicContact CE2-CZ 3.95Å; F78-F725 AromaticContact CG-CE2 3.7Å; F78-F725 HydrophobicContact CG-CE2 3.7Å; F78-F725 AromaticContact CG-CZ 3.71Å; F78-F725 HydrophobicContact CG-CZ 3.71Å; F78-F725 AromaticContact CZ-CE2 3.88Å; F78-F725 HydrophobicContact CZ-CE2 3.88Å; F683-F725 HydrophobicContact CB-CD2 4.06Å; F683-F725 HydrophobicContact CB-CE2 4.42Å; F683-F725 HydrophobicContact CD1-CB 4.19Å; F683-F725 AromaticContact CD1-CD2 3.85Å; F683-F725 HydrophobicContact CD1-CD2 3.85Å; F683-F725 HydrophobicContact CD2-CD2 4.1Å; F683-F725 HydrophobicContact CE1-CB 3.84Å; F683-F725 HydrophobicContact CE1-CD2 4.37Å; F683-F725 HydrophobicContact CE2-CB 4.19Å; F683-F725 AromaticContact CG-CD2 3.72Å; F683-F725 HydrophobicContact CG-CD2 3.72Å; F683-F725 HydrophobicContact CZ-CB 3.85Å; M719-F725 HydrophobicContact CB-CB 4.42Å; M719-F725 HydrophobicContact CB-CD1 4.15Å; M719-F725 HydrophobicContact CB-CD2 3.98Å; M719-F725 HydrophobicContact CB-CE2 4.33Å; M719-F725 HydrophobicContact CB-CG 3.88Å; M719-F725 HydrophobicContact CE-CD2 4.37Å; M719-F725 HydrophobicContact CE-CE2 4.42Å; M719-F725 HydrophobicContact CG-CD2 4Å; M719-F725 HydrophobicContact CG-CE2 4.4Å; M719-F725 HydrophobicContact CG-CG 4.32Å; M719-F725 HydrophobicContact SD-CD2 4.04Å; M719-F725 HydrophobicContact SD-CE2 3.9Å; F722-F725 HydrophobicContact CB-CB 4.38Å; F722-F725 WeakPolarHBondContact O-CB 3.4Å; F722-F725 PolarHBondContact O-N 2.9Å; F722-F725 VanDerWaalsContact O-N 3.15Å; E723-F725 VanDerWaalsContact C-N 3.35Å; F725-K727 PolarHBondContact O-N 2.97Å; F725-A728 PolarHBondContact O-N 2.67Å; F725-A728 VanDerWaalsContact O-N 3.12Å; F725-F729 AromaticContact CD2-CD2 3.96Å; F725-F729 HydrophobicContact CD2-CD2 3.96Å; F725-F729 HydrophobicContact CD2-CE2 4.21Å; F725-F729 AromaticContact CE2-CD2 3.6Å; F725-F729 HydrophobicContact CE2-CD2 3.6Å; F725-F729 AromaticContact CE2-CE2 3.84Å; F725-F729 HydrophobicContact CE2-CE2 3.84Å; F725-F729 HydrophobicContact CE2-CG 4.42Å; F725-F729 HydrophobicContact CZ-CD2 4.03Å; F725-F729 HydrophobicContact CZ-CG 4.45Å; F725-F729 PolarHBondContact O-N 3.5Å; F725-F729 VanDerWaalsContact O-N 3.09Å; F725-M737 HydrophobicContact CE1-CB 3.69Å; F725-M737 HydrophobicContact CE1-CE 3.89Å; F725-M737 HydrophobicContact CE1-CG 4.41Å; F725-M737 HydrophobicContact CZ-CB 4.37Å; F725-M737 HydrophobicContact CZ-CE 3.94Å |
| 726 | R | 96.4 | Very high | 95.9 | Very high | 74 Ų | 74 | 44.3 Ų | 44.3 | 28% | 0.279 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -31.1 | -180 | 62.5 | 177.5 | -175.5 | -160.8 | -2.1 | 112.5 | F722 E723 N730 C731 N738 | F722-R726 PolarHBondContact O-N 3.37Å; E723-R726 WeakPolarHBondContact O-CG 3.23Å; R726-N730 CarbonylContact O-C 3.43Å; R726-N730 VanDerWaalsContact O-CA 3.27Å; R726-N730 WeakPolarHBondContact O-CA 3.37Å; R726-N730 PolarHBondContact O-N 3.33Å; R726-C731 HydrophobicContact CB-CB 4.09Å; R726-C731 PolarHBondContact O-N 2.84Å; R726-N738 HydrophobicContact CB-CB 4.46Å; R726-N738 WeakPolarHBondContact CD-OD1 3.3Å; R726-N738 PolarHBondContact NH1-OD1 2.87Å |
| 727 | K | 97.6 | Very high | 95.8 | Very high | 121 Ų | 121 | 43.8 Ų | 43.8 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68 | -46.7 | 172.1 | -72.6 | 172 | -171 | 173.1 | 0 | 111.2 | E723 E724 F725 F729 N730 | E723-K727 VanDerWaalsContact O-CG 3.28Å; E723-K727 WeakPolarHBondContact O-CG 3.25Å; E723-K727 PolarHBondContact O-N 2.88Å; E723-K727 VanDerWaalsContact O-N 3.16Å; E724-K727 PolarHBondContact O-N 3.45Å; E724-K727 IonicContact OE1-NZ 2.94Å; E724-K727 PolarHBondContact OE1-NZ 3.44Å; F725-K727 PolarHBondContact O-N 2.97Å; K727-F729 VanDerWaalsContact C-N 3.27Å; K727-F729 PolarHBondContact O-N 2.94Å; K727-N730 PolarHBondContact O-N 3.5Å; K727-N730 PolarHBondContact O-OD1 2.9Å |
| 728 | A | 98 | Very high | 95.8 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -31.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N679 Q680 F683 E724 F725 | N679-A728 HydrophobicContact CB-CB 4.31Å; Q680-A728 HydrophobicContact CG-CB 4.14Å; Q680-A728 VanDerWaalsContact CG-O 3.26Å; Q680-A728 WeakPolarHBondContact CG-O 3.25Å; Q680-A728 PolarHBondContact NE2-O 2.99Å; F683-A728 HydrophobicContact CD2-CB 3.97Å; F683-A728 HydrophobicContact CE2-CB 3.86Å; E724-A728 VanDerWaalsContact O-CB 3.31Å; E724-A728 WeakPolarHBondContact O-CB 3.46Å; E724-A728 PolarHBondContact O-N 2.9Å; F725-A728 PolarHBondContact O-N 2.67Å; F725-A728 VanDerWaalsContact O-N 3.12Å |
| 729 | F | 97.6 | Very high | 95.6 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 9% | 0.088 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 5.6 | 179 | -72.8 | -87.2 | 0 | 0 | 0 | 114.4 | P74 F78 F81 Q680 F683 F725 K727 C731 | P74-F729 HydrophobicContact CB-CD1 3.85Å; P74-F729 HydrophobicContact CB-CE1 4.25Å; P74-F729 HydrophobicContact CB-CG 4.48Å; P74-F729 HydrophobicContact CG-CD1 3.92Å; F78-F729 HydrophobicContact CE2-CD1 4.2Å; F78-F729 HydrophobicContact CE2-CD2 4.13Å; F78-F729 AromaticContact CE2-CE1 3.7Å; F78-F729 HydrophobicContact CE2-CE1 3.7Å; F78-F729 AromaticContact CE2-CE2 3.62Å; F78-F729 HydrophobicContact CE2-CE2 3.62Å; F78-F729 HydrophobicContact CE2-CG 4.4Å; F78-F729 AromaticContact CE2-CZ 3.38Å; F78-F729 HydrophobicContact CE2-CZ 3.38Å; F78-F729 HydrophobicContact CZ-CE1 4.34Å; F78-F729 AromaticContact CZ-CE2 3.82Å; F78-F729 HydrophobicContact CZ-CE2 3.82Å; F78-F729 AromaticContact CZ-CZ 3.62Å; F78-F729 HydrophobicContact CZ-CZ 3.62Å; F81-F729 HydrophobicContact CE1-CE1 4.31Å; Q680-F729 HydrophobicContact CB-CE1 4.15Å; Q680-F729 HydrophobicContact CB-CE2 3.99Å; Q680-F729 HydrophobicContact CB-CZ 3.57Å; Q680-F729 HydrophobicContact CG-CD1 4.33Å; Q680-F729 HydrophobicContact CG-CD2 4.24Å; Q680-F729 HydrophobicContact CG-CE1 3.93Å; Q680-F729 HydrophobicContact CG-CE2 3.83Å; Q680-F729 HydrophobicContact CG-CG 4.47Å; Q680-F729 HydrophobicContact CG-CZ 3.66Å; F683-F729 HydrophobicContact CB-CE2 3.93Å; F683-F729 HydrophobicContact CD2-CE2 4.2Å; F683-F729 HydrophobicContact CG-CE2 4.44Å; F725-F729 AromaticContact CD2-CD2 3.96Å; F725-F729 HydrophobicContact CD2-CD2 3.96Å; F725-F729 HydrophobicContact CD2-CE2 4.21Å; F725-F729 AromaticContact CE2-CD2 3.6Å; F725-F729 HydrophobicContact CE2-CD2 3.6Å; F725-F729 AromaticContact CE2-CE2 3.84Å; F725-F729 HydrophobicContact CE2-CE2 3.84Å; F725-F729 HydrophobicContact CE2-CG 4.42Å; F725-F729 HydrophobicContact CZ-CD2 4.03Å; F725-F729 HydrophobicContact CZ-CG 4.45Å; F725-F729 PolarHBondContact O-N 3.5Å; F725-F729 VanDerWaalsContact O-N 3.09Å; K727-F729 VanDerWaalsContact C-N 3.27Å; K727-F729 PolarHBondContact O-N 2.94Å; F729-C731 VanDerWaalsContact C-N 3.28Å; F729-C731 PolarHBondContact O-N 3.08Å |
| 730 | N | 97 | Very high | 95.4 | Very high | 138 Ų | 138 | 48.3 Ų | 48.3 | 74% | 0.738 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 42.7 | -177.2 | -65.1 | -43.1 | 0 | 0 | 0 | 113.9 | R726 K727 P732 | R726-N730 CarbonylContact O-C 3.43Å; R726-N730 VanDerWaalsContact O-CA 3.27Å; R726-N730 WeakPolarHBondContact O-CA 3.37Å; R726-N730 PolarHBondContact O-N 3.33Å; K727-N730 PolarHBondContact O-N 3.5Å; K727-N730 PolarHBondContact O-OD1 2.9Å; N730-P732 WeakPolarHBondContact O-CD 3.49Å |
| 731 | C | 97.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -71 | 122.9 | -175.2 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | C75 R726 F729 N738 | C75-C731 WeakPolarHBondContact CA-SG 3.42Å; C75-C731 HydrophobicContact CB-CB 3.65Å; C75-C731 WeakPolarHBondContact CB-SG 3.25Å; C75-C731 WeakPolarHBondContact SG-CA 3.33Å; C75-C731 WeakPolarHBondContact SG-CB 3.35Å; C75-C731 CovalentContact SG-SG 2.05Å; C75-C731 PolarHBondContact SG-SG 2.86Å; R726-C731 HydrophobicContact CB-CB 4.09Å; R726-C731 PolarHBondContact O-N 2.84Å; F729-C731 VanDerWaalsContact C-N 3.28Å; F729-C731 PolarHBondContact O-N 3.08Å; C731-N738 HydrophobicContact CB-CB 4.21Å; C731-N738 PolarHBondContact O-ND2 3.3Å |
| 732 | P | 95.4 | Very high | 94.9 | Very high | 77 Ų | 77 | 60 Ų | 60 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 158.5 | 177.6 | -23.7 | 32.6 | 0 | 0 | 0 | 113.2 | N730 T735 N738 | N730-P732 WeakPolarHBondContact O-CD 3.49Å; P732-T735 HydrophobicContact CB-CG2 3.99Å; P732-T735 HydrophobicContact CG-CG2 4.1Å; P732-N738 VanDerWaalsContact O-CB 3.32Å; P732-N738 WeakPolarHBondContact O-CB 3.28Å; P732-N738 PolarHBondContact O-ND2 3.46Å |
| 733 | V | 87.5 | Confident | 94.8 | Very high | 108 Ų | 108 | 61 Ų | 61 | 66% | 0.655 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 137 | 169.3 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | ||
| 734 | N | 79.1 | Confident | 94.7 | Very high | 152 Ų | 152 | 59 Ų | 59 | 81% | 0.813 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 5.9 | -177.8 | -50.1 | -31 | 0 | 0 | 0 | 117.3 | ||
| 735 | T | 93.8 | Very high | 94.6 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 10% | 0.104 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -77 | 157.9 | 165.5 | 74 | 0 | 0 | 0 | 0 | 110.9 | C75 E76 P732 M737 N738 | C75-T735 HydrophobicContact CB-CG2 4.27Å; C75-T735 WeakPolarHBondContact O-CB 3.49Å; C75-T735 PolarHBondContact O-OG1 3.43Å; E76-T735 WeakPolarHBondContact OE1-CB 3.26Å; E76-T735 WeakPolarHBondContact OE1-CG2 3.23Å; P732-T735 HydrophobicContact CB-CG2 3.99Å; P732-T735 HydrophobicContact CG-CG2 4.1Å; T735-M737 PolarHBondContact O-N 2.9Å; T735-M737 VanDerWaalsContact O-N 3.12Å; T735-N738 PolarHBondContact O-N 2.67Å |
| 736 | T | 94.1 | Very high | 94.5 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -36.1 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | E76 I716 | E76-T736 VanDerWaalsContact O-CB 3.26Å; E76-T736 WeakPolarHBondContact O-CB 3.31Å; E76-T736 PolarHBondContact OE2-OG1 3.23Å; I716-T736 HydrophobicContact CG2-CG2 4.45Å |
| 737 | M | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 8.5 | -179.1 | -56.3 | -64.9 | -54.8 | 0 | 0 | 114.4 | P74 C75 F78 I716 M719 S720 F725 T735 | P74-M737 WeakPolarHBondContact O-CG 3.29Å; C75-M737 VanDerWaalsContact O-CB 3.23Å; C75-M737 WeakPolarHBondContact O-CB 3.39Å; C75-M737 VanDerWaalsContact O-CG 3.27Å; C75-M737 WeakPolarHBondContact O-CG 3.16Å; C75-M737 PolarHBondContact O-N 3.34Å; F78-M737 HydrophobicContact CB-CE 3.54Å; F78-M737 HydrophobicContact CB-CG 4.26Å; F78-M737 HydrophobicContact CB-SD 3.96Å; F78-M737 HydrophobicContact CG-CE 4.47Å; I716-M737 HydrophobicContact CB-SD 4.16Å; I716-M737 HydrophobicContact CG1-SD 3.93Å; I716-M737 HydrophobicContact CG2-SD 3.91Å; M719-M737 HydrophobicContact CB-CE 3.59Å; M719-M737 HydrophobicContact SD-CE 4.37Å; S720-M737 WeakPolarHBondContact CA-O 3.28Å; F725-M737 HydrophobicContact CE1-CB 3.69Å; F725-M737 HydrophobicContact CE1-CE 3.89Å; F725-M737 HydrophobicContact CE1-CG 4.41Å; F725-M737 HydrophobicContact CZ-CB 4.37Å; F725-M737 HydrophobicContact CZ-CE 3.94Å; T735-M737 PolarHBondContact O-N 2.9Å; T735-M737 VanDerWaalsContact O-N 3.12Å |
| 738 | N | 97.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | trans | -132.8 | 92.2 | 173.6 | -175.7 | 4 | 0 | 0 | 0 | 111.2 | R726 C731 P732 T735 G740 | R726-N738 HydrophobicContact CB-CB 4.46Å; R726-N738 WeakPolarHBondContact CD-OD1 3.3Å; R726-N738 PolarHBondContact NH1-OD1 2.87Å; C731-N738 HydrophobicContact CB-CB 4.21Å; C731-N738 PolarHBondContact O-ND2 3.3Å; P732-N738 VanDerWaalsContact O-CB 3.32Å; P732-N738 WeakPolarHBondContact O-CB 3.28Å; P732-N738 PolarHBondContact O-ND2 3.46Å; T735-N738 PolarHBondContact O-N 2.67Å; N738-G740 PolarHBondContact O-N 2.94Å; N738-G740 PolarHBondContact OD1-N 2.93Å; N738-G740 VanDerWaalsContact OD1-N 3.16Å | ||
| 739 | R | 94.6 | Very high | 94 | Very high | 60 Ų | 60 | 56.2 Ų | 56.2 | 23% | 0.226 | 32% | 0.322 | C | S | . | . | trans | -76.4 | -2.8 | 179.4 | -67.4 | 174.6 | 62.8 | 79.5 | 13.1 | 114.2 | S720 N721 A741 E742 | S720-R739 PolarHBondContact O-N 3.07Å; S720-R739 VanDerWaalsContact OG-CD 3.27Å; S720-R739 WeakPolarHBondContact OG-CD 3.31Å; N721-R739 WeakPolarHBondContact OD1-CD 3.29Å; N721-R739 PolarHBondContact OD1-NE 3.33Å; R739-A741 PolarHBondContact O-N 3.37Å; R739-A741 VanDerWaalsContact O-N 3.11Å; R739-E742 HydrophobicContact CB-CB 4.4Å; R739-E742 PolarHBondContact NE-O 3.03Å; R739-E742 PolarHBondContact NH2-O 3.48Å; R739-E742 IonicContact NH2-OE2 2.73Å; R739-E742 WeakPolarHBondContact O-CA 3.5Å; R739-E742 WeakPolarHBondContact O-CB 3.47Å; R739-E742 PolarHBondContact O-N 3.45Å | ||
| 740 | G | 93.4 | Very high | 93.8 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 25% | 0.247 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | 57 | -118.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N738 S743 | N738-G740 PolarHBondContact O-N 2.94Å; N738-G740 PolarHBondContact OD1-N 2.93Å; N738-G740 VanDerWaalsContact OD1-N 3.16Å; G740-S743 PolarHBondContact O-OG 2.95Å |
| 741 | A | 91.3 | Very high | 93.6 | Very high | 112 Ų | 112 | 53.5 Ų | 53.5 | 93% | 0.926 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -80 | -15.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | R739 S743 | R739-A741 PolarHBondContact O-N 3.37Å; R739-A741 VanDerWaalsContact O-N 3.11Å; A741-S743 VanDerWaalsContact C-N 3.25Å; A741-S743 PolarHBondContact O-N 2.81Å |
| 742 | E | 93.6 | Very high | 93.3 | Very high | 135 Ų | 135 | 56.3 Ų | 56.3 | 63% | 0.631 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -86.3 | 5.7 | 175.8 | -54 | -170.6 | 162.5 | 0 | 0 | 113.1 | R739 C744 | R739-E742 HydrophobicContact CB-CB 4.4Å; R739-E742 PolarHBondContact NE-O 3.03Å; R739-E742 PolarHBondContact NH2-O 3.48Å; R739-E742 IonicContact NH2-OE2 2.73Å; R739-E742 WeakPolarHBondContact O-CA 3.5Å; R739-E742 WeakPolarHBondContact O-CB 3.47Å; R739-E742 PolarHBondContact O-N 3.45Å; E742-C744 PolarHBondContact O-N 3.37Å |
| 743 | S | 95.4 | Very high | 93.2 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | trans | -62.4 | 125.8 | 174.8 | -69 | 0 | 0 | 0 | 0 | 110.3 | N721 G740 A741 | N721-S743 WeakPolarHBondContact OD1-CA 3.2Å; G740-S743 PolarHBondContact O-OG 2.95Å; A741-S743 VanDerWaalsContact C-N 3.25Å; A741-S743 PolarHBondContact O-N 2.81Å | ||
| 744 | C | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | trans | -80.3 | 127.6 | 175.6 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | C615 M616 Q619 N721 E742 | C615-C744 HydrophobicContact CB-CB 3.8Å; C615-C744 WeakPolarHBondContact CB-SG 3.18Å; C615-C744 PolarHBondContact O-SG 2.98Å; C615-C744 VanDerWaalsContact O-SG 3.35Å; C615-C744 WeakPolarHBondContact SG-CA 3.28Å; C615-C744 WeakPolarHBondContact SG-CB 3.35Å; C615-C744 CovalentContact SG-SG 2.05Å; C615-C744 PolarHBondContact SG-SG 2.84Å; M616-C744 HydrophobicContact CE-CB 4.35Å; M616-C744 HydrophobicContact CG-CB 3.67Å; Q619-C744 PolarHBondContact OE1-SG 2.94Å; N721-C744 PolarHBondContact OD1-N 3.44Å; E742-C744 PolarHBondContact O-N 3.37Å | ||
| 745 | R | 94.6 | Very high | 94.7 | Very high | 81 Ų | 81 | 43.4 Ų | 43.4 | 31% | 0.306 | 25% | 0.251 | S | S | . | . | trans | -136.3 | 128.6 | 177 | -172.3 | 175.7 | 178.6 | -179.1 | -2.9 | 111.5 | E451 W747 | E451-R745 IonicContact OE2-CZ 3.49Å; E451-R745 IonicContact OE2-NH1 2.74Å; E451-R745 PolarHBondContact OE2-NH1 2.82Å; E451-R745 IonicContact OE2-NH2 3.4Å; E451-R745 PolarHBondContact OE2-NH2 3.03Å; R745-W747 PolarHBondContact NE-O 3.31Å | ||
| 746 | L | 95.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | trans | -117.1 | -62.8 | 175.6 | -178.7 | 69.1 | 0 | 0 | 0 | 110.9 | W454 F609 K612 T613 M616 I642 | W454-L746 HydrophobicContact CH2-CD1 4.19Å; W454-L746 HydrophobicContact CZ2-CD1 3.68Å; W454-L746 HydrophobicContact CZ2-CG 4.27Å; W454-L746 PolarHBondContact NE1-O 3.49Å; F609-L746 HydrophobicContact CD2-CD1 3.84Å; F609-L746 HydrophobicContact CD2-CD2 4.26Å; F609-L746 HydrophobicContact CE2-CD1 4.1Å; F609-L746 HydrophobicContact CE2-CD2 3.65Å; F609-L746 HydrophobicContact CE2-CG 4.39Å; F609-L746 HydrophobicContact CZ-CD2 4.15Å; K612-L746 HydrophobicContact CB-CD1 3.97Å; K612-L746 HydrophobicContact CD-CD1 4.44Å; T613-L746 HydrophobicContact CG2-CD1 4.29Å; T613-L746 HydrophobicContact CG2-CD2 3.99Å; M616-L746 HydrophobicContact CE-CB 4.31Å; I642-L746 HydrophobicContact CB-CD2 4.44Å; I642-L746 HydrophobicContact CD1-CD2 4.05Å; I642-L746 HydrophobicContact CG1-CD2 3.95Å; I642-L746 HydrophobicContact CG2-CD2 3.65Å | ||
| 747 | W | 94.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | trans | -92.8 | 0 | 175.3 | -58 | 117 | 0 | 0 | 0 | 111.5 | F444 M447 L448 W454 M455 T581 F584 W601 F609 R745 | F444-W747 AromaticContact CE2-CD2 3.96Å; F444-W747 HydrophobicContact CE2-CD2 3.96Å; F444-W747 AromaticContact CE2-CE3 3.93Å; F444-W747 HydrophobicContact CE2-CE3 3.93Å; F444-W747 HydrophobicContact CE2-CG 4.3Å; F444-W747 HydrophobicContact CE2-CZ3 4.46Å; F444-W747 HydrophobicContact CZ-CD2 4.45Å; F444-W747 HydrophobicContact CZ-CE3 4.08Å; F444-W747 HydrophobicContact CZ-CZ3 4.16Å; M447-W747 HydrophobicContact CE-CB 4.25Å; M447-W747 WeakPolarHBondContact CE-OXT 3.44Å; L448-W747 HydrophobicContact CD1-CZ3 4.17Å; W454-W747 AromaticContact CH2-CH2 3.92Å; W454-W747 HydrophobicContact CH2-CH2 3.92Å; W454-W747 HydrophobicContact CH2-CZ2 4.45Å; W454-W747 HydrophobicContact CH2-CZ3 4.3Å; W454-W747 HydrophobicContact CZ2-CE3 4.35Å; W454-W747 AromaticContact CZ2-CH2 3.89Å; W454-W747 HydrophobicContact CZ2-CH2 3.89Å; W454-W747 HydrophobicContact CZ2-CZ2 4.37Å; W454-W747 AromaticContact CZ2-CZ3 3.88Å; W454-W747 HydrophobicContact CZ2-CZ3 3.88Å; M455-W747 HydrophobicContact CE-CH2 4.45Å; M455-W747 HydrophobicContact SD-CH2 3.87Å; M455-W747 HydrophobicContact SD-CZ3 3.62Å; T581-W747 VanDerWaalsContact CG2-CD1 3.45Å; T581-W747 HydrophobicContact CG2-CG 4.43Å; F584-W747 HydrophobicContact CB-CH2 4.03Å; F584-W747 HydrophobicContact CB-CZ2 3.41Å; F584-W747 VanDerWaalsContact CB-CZ2 3.41Å; F584-W747 HydrophobicContact CG-CZ2 4.43Å; F584-W747 VanDerWaalsContact O-CZ2 3.27Å; F584-W747 WeakPolarHBondContact O-CZ2 3.36Å; W601-W747 AromaticContact CH2-CH2 3.82Å; W601-W747 HydrophobicContact CH2-CH2 3.82Å; W601-W747 HydrophobicContact CH2-CZ2 4.15Å; W601-W747 HydrophobicContact CZ2-CH2 4.17Å; F609-W747 HydrophobicContact CE2-CZ2 4.3Å; R745-W747 PolarHBondContact NE-O 3.31Å |
Retrieved 747 of 747 residues in 353.4 ms
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