| 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 | 35.9 | Very low | 53.4 | Low | 204 Ų | 204 | 87.2 Ų | 87.2 | 100% | 1.005 | 54% | 0.539 | S | S | * | . | 0 | 104.1 | 0 | -70.1 | 177.6 | 178.8 | 0 | 0 | 108.4 | V3 | M1-V3 PolarHBondContact O-N 3.35Š| |||
| 2 | G | 32.4 | Very low | 55.7 | Low | 74 Ų | 74 | 88 Ų | 88 | 76% | 0.763 | 54% | 0.536 | S | S | * | . | trans | -72.6 | 120.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | S4 | G2-S4 PolarHBondContact O-N 3.3Š| ||
| 3 | V | 38.9 | Very low | 57.7 | Low | 95 Ų | 95 | 90.2 Ų | 90.2 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | trans | -75.9 | 115.4 | 173.7 | -165.4 | 0 | 0 | 0 | 0 | 106.6 | M1 C5 N7 T8 | M1-V3 PolarHBondContact O-N 3.35Å; V3-C5 PolarHBondContact O-N 2.98Å; V3-N7 HydrophobicContact CG1-CB 4.22Å; V3-T8 WeakPolarHBondContact CG1-OG1 3.3Å | ||
| 4 | S | 37.2 | Very low | 59.2 | Low | 81 Ų | 81 | 85.1 Ų | 85.1 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | trans | -52.9 | 129.3 | 172.3 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | G2 G6 N7 | G2-S4 PolarHBondContact O-N 3.3Å; S4-G6 PolarHBondContact O-N 2.87Å; S4-N7 PolarHBondContact O-N 3.06Å | ||
| 5 | C | 42 | Very low | 60.6 | Low | 103 Ų | 103 | 82.4 Ų | 82.4 | 70% | 0.696 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.4 | -32.5 | -166.7 | -166.3 | 0 | 0 | 0 | 0 | 112.8 | V3 N7 T9 | V3-C5 PolarHBondContact O-N 2.98Å; C5-N7 PolarHBondContact O-N 3.1Å; C5-T9 PolarHBondContact O-N 2.84Å; C5-T9 PolarHBondContact O-OG1 2.72Å |
| 6 | G | 51.1 | Low | 62.2 | Low | 40 Ų | 40 | 81.7 Ų | 81.7 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.8 | -29.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | S4 R10 | S4-G6 PolarHBondContact O-N 2.87Å; G6-R10 WeakPolarHBondContact O-CD 3.48Å; G6-R10 VanDerWaalsContact O-CG 3.27Å; G6-R10 WeakPolarHBondContact O-CG 3.31Å; G6-R10 PolarHBondContact O-N 3.1Å |
| 7 | N | 63.5 | Low | 63.6 | Low | 60 Ų | 60 | 79.4 Ų | 79.4 | 32% | 0.321 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -78.2 | -38.1 | -177.9 | -71.6 | -0.3 | 0 | 0 | 0 | 112 | V3 S4 C5 R10 L11 H136 | V3-N7 HydrophobicContact CG1-CB 4.22Å; S4-N7 PolarHBondContact O-N 3.06Å; C5-N7 PolarHBondContact O-N 3.1Å; N7-R10 PolarHBondContact O-N 3.37Å; N7-L11 WeakPolarHBondContact O-CB 3.45Å; N7-L11 WeakPolarHBondContact O-CG 3.3Å; N7-L11 PolarHBondContact O-N 2.7Å; N7-H136 PolarHBondContact OD1-CE1 3.15Å |
| 8 | T | 68 | Low | 64.8 | Low | 56 Ų | 56 | 76 Ų | 76 | 34% | 0.344 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 175 | -42 | 0 | 0 | 0 | 0 | 110.8 | V3 R10 L11 I12 | V3-T8 WeakPolarHBondContact CG1-OG1 3.3Å; T8-R10 PolarHBondContact O-N 3.19Å; T8-L11 PolarHBondContact O-N 3.1Å; T8-I12 HydrophobicContact CG2-CD1 3.91Å; T8-I12 HydrophobicContact CG2-CG1 4.49Å; T8-I12 WeakPolarHBondContact O-CG1 3Å; T8-I12 PolarHBondContact O-N 3.03Å |
| 9 | T | 74 | Confident | 66 | Low | 89 Ų | 89 | 75.5 Ų | 75.5 | 55% | 0.546 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | -179.3 | -52.6 | 0 | 0 | 0 | 0 | 112 | C5 I12 F13 | C5-T9 PolarHBondContact O-N 2.84Å; C5-T9 PolarHBondContact O-OG1 2.72Å; T9-I12 PolarHBondContact O-N 3.22Å; T9-F13 VanDerWaalsContact O-CB 3.3Å; T9-F13 WeakPolarHBondContact O-CB 3.27Å; T9-F13 PolarHBondContact O-N 3.24Å |
| 10 | R | 73.8 | Confident | 67.3 | Low | 80 Ų | 80 | 76.7 Ų | 76.7 | 30% | 0.302 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 172.6 | -74.9 | 163.2 | 80.7 | 156.1 | 2.8 | 111.7 | G6 N7 T8 F13 M14 V132 H136 | G6-R10 WeakPolarHBondContact O-CD 3.48Å; G6-R10 VanDerWaalsContact O-CG 3.27Å; G6-R10 WeakPolarHBondContact O-CG 3.31Å; G6-R10 PolarHBondContact O-N 3.1Å; N7-R10 PolarHBondContact O-N 3.37Å; T8-R10 PolarHBondContact O-N 3.19Å; R10-F13 PolarHBondContact O-N 3.48Å; R10-M14 VanDerWaalsContact O-CG 3.29Å; R10-M14 WeakPolarHBondContact O-CG 3.49Å; R10-M14 PolarHBondContact O-N 3.18Å; R10-V132 HydrophobicContact CB-CG1 4.01Å; R10-V132 HydrophobicContact CG-CG1 4.14Å; R10-V132 VanDerWaalsContact CZ-O 3.25Å; R10-V132 PolarHBondContact NE-O 3.37Å; R10-V132 VanDerWaalsContact NE-O 3.07Å; R10-V132 PolarHBondContact NH2-O 2.99Å; R10-H136 PolarHBondContact NH1-CE1 3.46Å |
| 11 | L | 70.9 | Confident | 68.5 | Low | 77 Ų | 77 | 74 Ų | 74 | 40% | 0.403 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 178.6 | -72.8 | 167.3 | 0 | 0 | 0 | 112.6 | N7 T8 M14 L15 L133 | N7-L11 WeakPolarHBondContact O-CB 3.45Å; N7-L11 WeakPolarHBondContact O-CG 3.3Å; N7-L11 PolarHBondContact O-N 2.7Å; T8-L11 PolarHBondContact O-N 3.1Å; L11-M14 PolarHBondContact O-N 3.33Å; L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 PolarHBondContact O-N 3.47Å; L11-L133 HydrophobicContact CD2-CD2 3.85Å |
| 12 | I | 80.5 | Confident | 71.1 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 175.9 | -68.6 | 169 | 0 | 0 | 0 | 110.7 | T8 T9 L15 V16 | T8-I12 HydrophobicContact CG2-CD1 3.91Å; T8-I12 HydrophobicContact CG2-CG1 4.49Å; T8-I12 WeakPolarHBondContact O-CG1 3Å; T8-I12 PolarHBondContact O-N 3.03Å; T9-I12 PolarHBondContact O-N 3.22Å; I12-L15 PolarHBondContact O-N 3.49Å; I12-V16 HydrophobicContact CG2-CG2 4.46Å; I12-V16 WeakPolarHBondContact O-CG2 3.49Å; I12-V16 PolarHBondContact O-N 3.35Å |
| 13 | F | 82.1 | Confident | 74.1 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 178 | 176.3 | -109.2 | 0 | 0 | 0 | 112.2 | T9 R10 V16 L17 | T9-F13 VanDerWaalsContact O-CB 3.3Å; T9-F13 WeakPolarHBondContact O-CB 3.27Å; T9-F13 PolarHBondContact O-N 3.24Å; R10-F13 PolarHBondContact O-N 3.48Å; F13-V16 PolarHBondContact O-N 2.95Å; F13-L17 HydrophobicContact CD1-CD1 4.27Å; F13-L17 HydrophobicContact CE1-CD1 3.63Å; F13-L17 HydrophobicContact CE2-CD1 4.3Å; F13-L17 HydrophobicContact CZ-CD1 3.65Å; F13-L17 HydrophobicContact CZ-CG 4.35Å; F13-L17 PolarHBondContact O-N 3.31Å |
| 14 | M | 78.6 | Confident | 76.7 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 9% | 0.094 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 173.2 | -69.7 | -65.7 | 103 | 0 | 0 | 112 | R10 L11 V16 L17 V18 L128 G129 V132 | R10-M14 VanDerWaalsContact O-CG 3.29Å; R10-M14 WeakPolarHBondContact O-CG 3.49Å; R10-M14 PolarHBondContact O-N 3.18Å; L11-M14 PolarHBondContact O-N 3.33Å; M14-V16 VanDerWaalsContact C-N 3.32Å; M14-V16 PolarHBondContact O-N 3.11Å; M14-L17 HydrophobicContact CE-CD1 3.72Å; M14-L17 WeakPolarHBondContact O-CB 3.38Å; M14-L17 PolarHBondContact O-N 3.12Å; M14-L17 VanDerWaalsContact O-N 3.15Å; M14-V18 WeakPolarHBondContact O-CG2 3.44Å; M14-V18 PolarHBondContact O-N 2.86Å; M14-L128 HydrophobicContact CE-CD2 4.44Å; M14-L128 HydrophobicContact CE-CG 4.33Å; M14-G129 VanDerWaalsContact SD-CA 3.53Å; M14-V132 HydrophobicContact CE-CB 4.22Å; M14-V132 HydrophobicContact CE-CG1 4.13Å; M14-V132 HydrophobicContact CE-CG2 4.02Å; M14-V132 HydrophobicContact CG-CB 4.41Å; M14-V132 HydrophobicContact CG-CG1 3.92Å; M14-V132 HydrophobicContact SD-CB 4.01Å; M14-V132 HydrophobicContact SD-CG1 4.11Å; M14-V132 HydrophobicContact SD-CG2 4.38Å |
| 15 | L | 80.1 | Confident | 79.4 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 177.4 | -179.1 | 63.6 | 0 | 0 | 0 | 112.1 | L11 I12 V18 I19 C48 L51 | L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 PolarHBondContact O-N 3.47Å; I12-L15 PolarHBondContact O-N 3.49Å; L15-V18 PolarHBondContact O-N 2.89Å; L15-I19 HydrophobicContact CD1-CD1 4.16Å; L15-I19 HydrophobicContact CD1-CG1 4.46Å; L15-I19 HydrophobicContact CG-CD1 3.95Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.34Å; L15-I19 PolarHBondContact O-N 3.1Å; L15-C48 HydrophobicContact CD1-CB 4.42Å; L15-L51 HydrophobicContact CD1-CD1 3.93Å |
| 16 | V | 86.9 | Confident | 81.9 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175.6 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | I12 F13 M14 I19 I20 | I12-V16 HydrophobicContact CG2-CG2 4.46Å; I12-V16 WeakPolarHBondContact O-CG2 3.49Å; I12-V16 PolarHBondContact O-N 3.35Å; F13-V16 PolarHBondContact O-N 2.95Å; M14-V16 VanDerWaalsContact C-N 3.32Å; M14-V16 PolarHBondContact O-N 3.11Å; V16-I19 PolarHBondContact O-N 3.15Å; V16-I20 HydrophobicContact CG1-CD1 3.76Å; V16-I20 HydrophobicContact CG1-CG1 4.48Å; V16-I20 WeakPolarHBondContact O-CD1 3.44Å; V16-I20 VanDerWaalsContact O-CG1 3.26Å; V16-I20 WeakPolarHBondContact O-CG1 3.3Å; V16-I20 PolarHBondContact O-N 3.35Å |
| 17 | L | 86 | Confident | 84.1 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 174.3 | -85.6 | 171.4 | 0 | 0 | 0 | 112.3 | F13 M14 I19 I20 Y21 L128 | F13-L17 HydrophobicContact CD1-CD1 4.27Å; F13-L17 HydrophobicContact CE1-CD1 3.63Å; F13-L17 HydrophobicContact CE2-CD1 4.3Å; F13-L17 HydrophobicContact CZ-CD1 3.65Å; F13-L17 HydrophobicContact CZ-CG 4.35Å; F13-L17 PolarHBondContact O-N 3.31Å; M14-L17 HydrophobicContact CE-CD1 3.72Å; M14-L17 WeakPolarHBondContact O-CB 3.38Å; M14-L17 PolarHBondContact O-N 3.12Å; M14-L17 VanDerWaalsContact O-N 3.15Å; L17-I19 PolarHBondContact O-N 3.33Å; L17-I20 PolarHBondContact O-N 3.02Å; L17-Y21 VanDerWaalsContact O-CB 3.25Å; L17-Y21 WeakPolarHBondContact O-CB 3.32Å; L17-Y21 PolarHBondContact O-N 2.63Å; L17-L128 HydrophobicContact CD1-CD2 4.24Å |
| 18 | V | 84.5 | Confident | 85.6 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | M14 L15 I20 Y21 F22 M44 | M14-V18 WeakPolarHBondContact O-CG2 3.44Å; M14-V18 PolarHBondContact O-N 2.86Å; L15-V18 PolarHBondContact O-N 2.89Å; V18-I20 PolarHBondContact O-N 3.04Å; V18-Y21 PolarHBondContact O-N 3.38Å; V18-F22 VanDerWaalsContact O-CB 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.44Å; V18-F22 PolarHBondContact O-N 3.29Å; V18-M44 HydrophobicContact CG1-CB 4.12Å; V18-M44 HydrophobicContact CG1-CG 4.32Å; V18-M44 HydrophobicContact CG1-SD 4.29Å |
| 19 | I | 88 | Confident | 86.8 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 177.7 | -68.7 | 165 | 0 | 0 | 0 | 112 | L15 V16 L17 L23 | L15-I19 HydrophobicContact CD1-CD1 4.16Å; L15-I19 HydrophobicContact CD1-CG1 4.46Å; L15-I19 HydrophobicContact CG-CD1 3.95Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.34Å; L15-I19 PolarHBondContact O-N 3.1Å; V16-I19 PolarHBondContact O-N 3.15Å; L17-I19 PolarHBondContact O-N 3.33Å; I19-L23 PolarHBondContact O-N 2.71Å |
| 20 | I | 91.8 | Very high | 87.8 | Confident | 98 Ų | 98 | 56.8 Ų | 56.8 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.7 | -71.1 | 165.7 | 0 | 0 | 0 | 110.2 | V16 L17 V18 L23 V24 | V16-I20 HydrophobicContact CG1-CD1 3.76Å; V16-I20 HydrophobicContact CG1-CG1 4.48Å; V16-I20 WeakPolarHBondContact O-CD1 3.44Å; V16-I20 VanDerWaalsContact O-CG1 3.26Å; V16-I20 WeakPolarHBondContact O-CG1 3.3Å; V16-I20 PolarHBondContact O-N 3.35Å; L17-I20 PolarHBondContact O-N 3.02Å; V18-I20 PolarHBondContact O-N 3.04Å; I20-L23 PolarHBondContact O-N 2.98Å; I20-V24 PolarHBondContact O-N 3.31Å |
| 21 | Y | 91.6 | Very high | 88.8 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.8 | -37.5 | -175.5 | -174.2 | -100.4 | 0 | 0 | 0 | 112.3 | L17 V18 L23 V24 E25 M44 V118 G122 V125 | L17-Y21 VanDerWaalsContact O-CB 3.25Å; L17-Y21 WeakPolarHBondContact O-CB 3.32Å; L17-Y21 PolarHBondContact O-N 2.63Å; V18-Y21 PolarHBondContact O-N 3.38Å; Y21-L23 VanDerWaalsContact C-N 3.28Å; Y21-L23 PolarHBondContact O-N 2.83Å; Y21-V24 WeakPolarHBondContact O-CA 3.42Å; Y21-V24 WeakPolarHBondContact O-CB 3.23Å; Y21-V24 PolarHBondContact O-N 2.89Å; Y21-E25 HydrophobicContact CD1-CG 4.06Å; Y21-E25 HydrophobicContact CE1-CG 3.35Å; Y21-E25 WeakPolarHBondContact CE1-OE1 3.25Å; Y21-E25 HydrophobicContact CE2-CG 4.34Å; Y21-E25 VanDerWaalsContact CZ-CG 3.46Å; Y21-E25 VanDerWaalsContact CZ-OE1 3.24Å; Y21-E25 PolarHBondContact O-N 3.22Å; Y21-E25 WeakPolarHBondContact OH-CG 3.32Å; Y21-E25 PolarHBondContact OH-OE1 2.93Å; Y21-M44 HydrophobicContact CD1-CE 3.81Å; Y21-M44 HydrophobicContact CD1-SD 3.81Å; Y21-M44 HydrophobicContact CE1-CE 3.95Å; Y21-M44 HydrophobicContact CE1-SD 4.32Å; Y21-V118 HydrophobicContact CE2-CG1 4.44Å; Y21-V118 VanDerWaalsContact OH-C 3.25Å; Y21-V118 WeakPolarHBondContact OH-CG1 3.16Å; Y21-V118 PolarHBondContact OH-O 2.9Å; Y21-G122 VanDerWaalsContact OH-CA 3.26Å; Y21-G122 WeakPolarHBondContact OH-CA 3.38Å; Y21-G122 PolarHBondContact OH-N 2.99Å; Y21-V125 HydrophobicContact CD2-CG2 4.31Å; Y21-V125 HydrophobicContact CG-CG2 4.29Å |
| 22 | F | 91.7 | Very high | 89.8 | Confident | 24 Ų | 24 | 53 Ų | 53 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -48.4 | -46.8 | 166.8 | 152.7 | -113.9 | 0 | 0 | 0 | 112.6 | V18 V24 E25 L26 S41 M44 L45 | V18-F22 VanDerWaalsContact O-CB 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.44Å; V18-F22 PolarHBondContact O-N 3.29Å; F22-V24 VanDerWaalsContact C-N 3.33Å; F22-V24 PolarHBondContact O-N 3.42Å; F22-E25 PolarHBondContact O-N 3.35Å; F22-L26 HydrophobicContact CE2-CB 4.14Å; F22-L26 HydrophobicContact CE2-CD2 3.92Å; F22-L26 HydrophobicContact CZ-CD2 3.8Å; F22-L26 WeakPolarHBondContact O-CB 3.43Å; F22-L26 PolarHBondContact O-N 3.32Å; F22-S41 WeakPolarHBondContact CD2-O 3.49Å; F22-S41 WeakPolarHBondContact CE2-O 3.44Å; F22-M44 HydrophobicContact CB-CB 4.38Å; F22-M44 HydrophobicContact CB-CE 4.4Å; F22-L45 HydrophobicContact CD2-CB 4.07Å; F22-L45 HydrophobicContact CE1-CD1 3.97Å; F22-L45 HydrophobicContact CE2-CB 3.79Å; F22-L45 HydrophobicContact CE2-CD2 4.17Å; F22-L45 HydrophobicContact CE2-CG 4.39Å; F22-L45 HydrophobicContact CZ-CB 4.07Å; F22-L45 HydrophobicContact CZ-CD1 4Å; F22-L45 HydrophobicContact CZ-CD2 3.86Å; F22-L45 HydrophobicContact CZ-CG 4.19Å |
| 23 | L | 94.1 | Very high | 90.4 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 44% | 0.44 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 178.8 | -66.9 | 173 | 0 | 0 | 0 | 112 | I19 I20 Y21 I27 | I19-L23 PolarHBondContact O-N 2.71Å; I20-L23 PolarHBondContact O-N 2.98Å; Y21-L23 VanDerWaalsContact C-N 3.28Å; Y21-L23 PolarHBondContact O-N 2.83Å; L23-I27 WeakPolarHBondContact O-CB 3.45Å; L23-I27 WeakPolarHBondContact O-CD1 3.48Å; L23-I27 WeakPolarHBondContact O-CG1 3.22Å; L23-I27 PolarHBondContact O-N 3.47Å |
| 24 | V | 95 | Very high | 90.9 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 38% | 0.382 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 175.3 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | I20 Y21 F22 I27 V28 V118 | I20-V24 PolarHBondContact O-N 3.31Å; Y21-V24 WeakPolarHBondContact O-CA 3.42Å; Y21-V24 WeakPolarHBondContact O-CB 3.23Å; Y21-V24 PolarHBondContact O-N 2.89Å; F22-V24 VanDerWaalsContact C-N 3.33Å; F22-V24 PolarHBondContact O-N 3.42Å; V24-I27 PolarHBondContact O-N 2.97Å; V24-V28 HydrophobicContact CG1-CG2 4.45Å; V24-V28 WeakPolarHBondContact O-CB 3.44Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.38Å; V24-V118 HydrophobicContact CG1-CG2 4.32Å |
| 25 | E | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 178.1 | -64.5 | -146.3 | 143.3 | 0 | 0 | 112.8 | Y21 F22 G29 L37 D40 S41 M44 V118 | Y21-E25 HydrophobicContact CD1-CG 4.06Å; Y21-E25 HydrophobicContact CE1-CG 3.35Å; Y21-E25 WeakPolarHBondContact CE1-OE1 3.25Å; Y21-E25 HydrophobicContact CE2-CG 4.34Å; Y21-E25 VanDerWaalsContact CZ-CG 3.46Å; Y21-E25 VanDerWaalsContact CZ-OE1 3.24Å; Y21-E25 PolarHBondContact O-N 3.22Å; Y21-E25 WeakPolarHBondContact OH-CG 3.32Å; Y21-E25 PolarHBondContact OH-OE1 2.93Å; F22-E25 PolarHBondContact O-N 3.35Å; E25-G29 WeakPolarHBondContact O-CA 3.28Å; E25-G29 PolarHBondContact O-N 3.5Å; E25-L37 HydrophobicContact CB-CD1 3.81Å; E25-L37 HydrophobicContact CB-CG 4.33Å; E25-L37 VanDerWaalsContact CD-CD1 3.46Å; E25-L37 HydrophobicContact CG-CD1 3.81Å; E25-L37 WeakPolarHBondContact OE1-CD1 3.42Å; E25-D40 WeakPolarHBondContact OE2-CB 3.32Å; E25-S41 PolarHBondContact OE2-N 2.95Å; E25-M44 HydrophobicContact CB-CE 4.33Å; E25-M44 HydrophobicContact CG-CE 3.89Å; E25-M44 WeakPolarHBondContact OE2-CE 3.46Å; E25-V118 HydrophobicContact CB-CG1 4.49Å; E25-V118 HydrophobicContact CG-CG1 3.77Å |
| 26 | L | 94.8 | Very high | 92.1 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -46.5 | 179.2 | -178.6 | 63.5 | 0 | 0 | 0 | 111.2 | F22 I30 F42 | F22-L26 HydrophobicContact CE2-CB 4.14Å; F22-L26 HydrophobicContact CE2-CD2 3.92Å; F22-L26 HydrophobicContact CZ-CD2 3.8Å; F22-L26 WeakPolarHBondContact O-CB 3.43Å; F22-L26 PolarHBondContact O-N 3.32Å; L26-I30 HydrophobicContact CD1-CD1 3.77Å; L26-I30 HydrophobicContact CD1-CG1 4.34Å; L26-I30 HydrophobicContact CG-CD1 4.03Å; L26-I30 WeakPolarHBondContact O-CB 3.44Å; L26-I30 WeakPolarHBondContact O-CD1 3.37Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.26Å; L26-I30 PolarHBondContact O-N 3.39Å; L26-I30 VanDerWaalsContact O-N 3.07Å; L26-F42 HydrophobicContact CD1-CE2 4.28Å; L26-F42 HydrophobicContact CD1-CZ 4.26Å |
| 27 | I | 95.8 | Very high | 92.4 | Very high | 108 Ų | 108 | 41.4 Ų | 41.4 | 55% | 0.554 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.9 | -48.3 | 179.8 | -69 | 166.5 | 0 | 0 | 0 | 110.6 | L23 V24 S31 | L23-I27 WeakPolarHBondContact O-CB 3.45Å; L23-I27 WeakPolarHBondContact O-CD1 3.48Å; L23-I27 WeakPolarHBondContact O-CG1 3.22Å; L23-I27 PolarHBondContact O-N 3.47Å; V24-I27 PolarHBondContact O-N 2.97Å; I27-S31 WeakPolarHBondContact O-CB 3.28Å; I27-S31 PolarHBondContact O-N 2.99Å; I27-S31 PolarHBondContact O-OG 2.92Å |
| 28 | V | 95.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.2 | -42.8 | -178.9 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | V24 I30 S31 I32 L37 M114 V118 | V24-V28 HydrophobicContact CG1-CG2 4.45Å; V24-V28 WeakPolarHBondContact O-CB 3.44Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.38Å; V28-I30 PolarHBondContact O-N 3.24Å; V28-S31 CarbonylContact O-C 3.58Å; V28-S31 WeakPolarHBondContact O-CA 3.4Å; V28-S31 WeakPolarHBondContact O-CB 3.36Å; V28-S31 PolarHBondContact O-N 2.98Å; V28-I32 HydrophobicContact CG1-CD1 4.34Å; V28-I32 HydrophobicContact CG1-CG2 3.91Å; V28-I32 WeakPolarHBondContact O-CG1 3.29Å; V28-I32 WeakPolarHBondContact O-CG2 3.47Å; V28-I32 PolarHBondContact O-N 2.89Å; V28-L37 HydrophobicContact CB-CD2 4.21Å; V28-L37 HydrophobicContact CG1-CD2 3.98Å; V28-M114 HydrophobicContact CG1-CB 4.22Å; V28-V118 HydrophobicContact CB-CG2 4.02Å; V28-V118 HydrophobicContact CG1-CG2 3.84Å; V28-V118 HydrophobicContact CG2-CG2 3.94Å |
| 29 | G | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E25 H33 S34 | E25-G29 WeakPolarHBondContact O-CA 3.28Å; E25-G29 PolarHBondContact O-N 3.5Å; G29-H33 PolarHBondContact O-N 3.35Å; G29-H33 VanDerWaalsContact O-N 3.14Å; G29-S34 PolarHBondContact O-N 3.28Å |
| 30 | I | 93.8 | Very high | 93.2 | Very high | 104 Ų | 104 | 36.8 Ų | 36.8 | 53% | 0.533 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.1 | -46 | 171.7 | -67.7 | 168.9 | 0 | 0 | 0 | 110.4 | L26 V28 I32 H33 V38 | L26-I30 HydrophobicContact CD1-CD1 3.77Å; L26-I30 HydrophobicContact CD1-CG1 4.34Å; L26-I30 HydrophobicContact CG-CD1 4.03Å; L26-I30 WeakPolarHBondContact O-CB 3.44Å; L26-I30 WeakPolarHBondContact O-CD1 3.37Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.26Å; L26-I30 PolarHBondContact O-N 3.39Å; L26-I30 VanDerWaalsContact O-N 3.07Å; V28-I30 PolarHBondContact O-N 3.24Å; I30-I32 PolarHBondContact O-N 3.33Å; I30-H33 PolarHBondContact O-N 3.48Å; I30-V38 HydrophobicContact CG1-CG2 4.08Å |
| 31 | S | 94.9 | Very high | 93.2 | Very high | 71 Ų | 71 | 32.1 Ų | 32.1 | 50% | 0.497 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.4 | -35 | -177.2 | -57.9 | 0 | 0 | 0 | 0 | 113.8 | I27 V28 | I27-S31 WeakPolarHBondContact O-CB 3.28Å; I27-S31 PolarHBondContact O-N 2.99Å; I27-S31 PolarHBondContact O-OG 2.92Å; V28-S31 CarbonylContact O-C 3.58Å; V28-S31 WeakPolarHBondContact O-CA 3.4Å; V28-S31 WeakPolarHBondContact O-CB 3.36Å; V28-S31 PolarHBondContact O-N 2.98Å |
| 32 | I | 93.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -0.3 | 178.9 | 74.3 | 178.5 | 0 | 0 | 0 | 113.2 | V28 I30 S34 L37 I109 E110 M114 M115 | V28-I32 HydrophobicContact CG1-CD1 4.34Å; V28-I32 HydrophobicContact CG1-CG2 3.91Å; V28-I32 WeakPolarHBondContact O-CG1 3.29Å; V28-I32 WeakPolarHBondContact O-CG2 3.47Å; V28-I32 PolarHBondContact O-N 2.89Å; I30-I32 PolarHBondContact O-N 3.33Å; I32-S34 VanDerWaalsContact C-N 3.31Å; I32-S34 PolarHBondContact O-N 3.34Å; I32-L37 HydrophobicContact CD1-CD2 3.89Å; I32-I109 HydrophobicContact CB-CG2 4.27Å; I32-I109 HydrophobicContact CD1-CG2 4.26Å; I32-I109 HydrophobicContact CG1-CG2 4.32Å; I32-I109 WeakPolarHBondContact O-CA 3.46Å; I32-E110 WeakPolarHBondContact CB-O 3.38Å; I32-E110 WeakPolarHBondContact CG2-O 3.44Å; I32-E110 PolarHBondContact O-N 2.96Å; I32-M114 HydrophobicContact CG2-CB 4.16Å; I32-M115 HydrophobicContact CD1-CB 3.67Å; I32-M115 HydrophobicContact CD1-CG 3.88Å; I32-M115 HydrophobicContact CD1-SD 4.5Å |
| 33 | H | 92.3 | Very high | 92.9 | Very high | 78 Ų | 78 | 33.8 Ų | 33.8 | 36% | 0.361 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 35.4 | -173.3 | -55.7 | 88.7 | 0 | 0 | 0 | 114.3 | G29 I30 R102 E110 | G29-H33 PolarHBondContact O-N 3.35Å; G29-H33 VanDerWaalsContact O-N 3.14Å; I30-H33 PolarHBondContact O-N 3.48Å; H33-R102 PolarHBondContact O-NH2 2.91Å; H33-E110 IonicContact CE1-OE2 3.62Å; H33-E110 PolarHBondContact CE1-OE2 2.99Å; H33-E110 IonicContact ND1-OE2 3.21Å; H33-E110 PolarHBondContact ND1-OE2 3.29Å |
| 34 | S | 92.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | trans | -94.8 | 120.3 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 111 | G29 I32 S36 L37 V38 M115 D281 | G29-S34 PolarHBondContact O-N 3.28Å; I32-S34 VanDerWaalsContact C-N 3.31Å; I32-S34 PolarHBondContact O-N 3.34Å; S34-S36 PolarHBondContact OG-N 3.47Å; S34-L37 PolarHBondContact OG-N 3.05Å; S34-L37 VanDerWaalsContact OG-N 3.13Å; S34-V38 VanDerWaalsContact O-CG2 3.29Å; S34-V38 WeakPolarHBondContact O-CG2 3.46Å; S34-V38 PolarHBondContact O-N 2.98Å; S34-M115 WeakPolarHBondContact OG-CE 3.4Å; S34-D281 PolarHBondContact OG-OD1 2.92Å | ||
| 35 | I | 91 | Very high | 92.2 | Very high | 25 Ų | 25 | 29.3 Ų | 29.3 | 13% | 0.128 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74.7 | -32.6 | 174.6 | -57.2 | -169.5 | 0 | 0 | 0 | 110.3 | L37 V38 A39 R98 R102 D281 | I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 2.89Å; I35-V38 PolarHBondContact O-N 3.4Å; I35-A39 VanDerWaalsContact O-CB 3.23Å; I35-A39 WeakPolarHBondContact O-CB 3.36Å; I35-A39 PolarHBondContact O-N 2.78Å; I35-R98 HydrophobicContact CD1-CB 4.47Å; I35-R98 WeakPolarHBondContact CD1-O 3.3Å; I35-R98 HydrophobicContact CG2-CB 4.47Å; I35-R102 HydrophobicContact CD1-CB 3.42Å; I35-R102 VanDerWaalsContact CD1-CB 3.42Å; I35-R102 HydrophobicContact CD1-CG 3.6Å; I35-R102 HydrophobicContact CG1-CG 4.4Å; I35-D281 WeakPolarHBondContact CA-OD2 3.34Å; I35-D281 WeakPolarHBondContact CB-OD2 3.36Å; I35-D281 PolarHBondContact N-OD2 3.47Å |
| 36 | S | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 177.7 | -170 | 0 | 0 | 0 | 0 | 112 | S34 D40 D281 S285 | S34-S36 PolarHBondContact OG-N 3.47Å; S36-D40 PolarHBondContact O-N 3.37Å; S36-D281 WeakPolarHBondContact CB-OD1 3.49Å; S36-D281 PolarHBondContact N-OD1 3.4Å; S36-D281 VanDerWaalsContact N-OD1 3.1Å; S36-D281 PolarHBondContact N-OD2 3.12Å; S36-S285 VanDerWaalsContact CA-OG 3.28Å; S36-S285 WeakPolarHBondContact CA-OG 3.3Å; S36-S285 PolarHBondContact N-OG 3.43Å; S36-S285 VanDerWaalsContact N-OG 3.16Å |
| 37 | L | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -75.4 | -35.4 | 177.3 | -176.1 | 57.7 | 0 | 0 | 0 | 112.1 | E25 V28 I32 S34 I35 A39 D40 S41 V118 V255 | E25-L37 HydrophobicContact CB-CD1 3.81Å; E25-L37 HydrophobicContact CB-CG 4.33Å; E25-L37 VanDerWaalsContact CD-CD1 3.46Å; E25-L37 HydrophobicContact CG-CD1 3.81Å; E25-L37 WeakPolarHBondContact OE1-CD1 3.42Å; V28-L37 HydrophobicContact CB-CD2 4.21Å; V28-L37 HydrophobicContact CG1-CD2 3.98Å; I32-L37 HydrophobicContact CD1-CD2 3.89Å; S34-L37 PolarHBondContact OG-N 3.05Å; S34-L37 VanDerWaalsContact OG-N 3.13Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 2.89Å; L37-A39 VanDerWaalsContact C-N 3.32Å; L37-D40 PolarHBondContact O-N 3.38Å; L37-S41 PolarHBondContact O-N 2.86Å; L37-S41 VanDerWaalsContact O-N 3.1Å; L37-V118 HydrophobicContact CD1-CG1 3.78Å; L37-V118 HydrophobicContact CD2-CB 4.38Å; L37-V118 HydrophobicContact CD2-CG1 4.09Å; L37-V255 HydrophobicContact CD1-CG1 4.07Å |
| 38 | V | 92.7 | Very high | 90.6 | Very high | 30 Ų | 30 | 23.9 Ų | 23.9 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -36.8 | 171.7 | 170 | 0 | 0 | 0 | 0 | 111.3 | I30 S34 I35 S41 F42 | I30-V38 HydrophobicContact CG1-CG2 4.08Å; S34-V38 VanDerWaalsContact O-CG2 3.29Å; S34-V38 WeakPolarHBondContact O-CG2 3.46Å; S34-V38 PolarHBondContact O-N 2.98Å; I35-V38 PolarHBondContact O-N 3.4Å; V38-S41 PolarHBondContact O-N 3.43Å; V38-S41 PolarHBondContact O-OG 2.72Å; V38-F42 HydrophobicContact CG1-CD2 3.61Å; V38-F42 HydrophobicContact CG1-CE2 3.51Å; V38-F42 VanDerWaalsContact O-CD2 3.28Å; V38-F42 WeakPolarHBondContact O-CD2 3.49Å; V38-F42 PolarHBondContact O-N 3.29Å |
| 39 | A | 91.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | I35 L37 S41 F42 H43 I95 M288 | I35-A39 VanDerWaalsContact O-CB 3.23Å; I35-A39 WeakPolarHBondContact O-CB 3.36Å; I35-A39 PolarHBondContact O-N 2.78Å; L37-A39 VanDerWaalsContact C-N 3.32Å; A39-S41 VanDerWaalsContact C-N 3.35Å; A39-F42 PolarHBondContact O-N 3.04Å; A39-H43 PolarHBondContact O-N 2.94Å; A39-I95 HydrophobicContact CB-CD1 4.18Å; A39-I95 HydrophobicContact CB-CG1 4.49Å; A39-I95 HydrophobicContact CB-CG2 3.57Å; A39-M288 HydrophobicContact CB-SD 3.76Å |
| 40 | D | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | 175.6 | -152 | 20.1 | 0 | 0 | 0 | 111 | E25 S36 L37 F42 H43 M44 G251 S252 V255 M288 | E25-D40 WeakPolarHBondContact OE2-CB 3.32Å; S36-D40 PolarHBondContact O-N 3.37Å; L37-D40 PolarHBondContact O-N 3.38Å; D40-F42 PolarHBondContact O-N 3.39Å; D40-H43 WeakPolarHBondContact O-CB 3.44Å; D40-H43 PolarHBondContact O-N 3.35Å; D40-M44 PolarHBondContact O-N 2.98Å; D40-G251 WeakPolarHBondContact OD1-CA 3.37Å; D40-S252 VanDerWaalsContact OD2-CA 3.31Å; D40-S252 WeakPolarHBondContact OD2-CA 3.37Å; D40-S252 PolarHBondContact OD2-N 3.24Å; D40-S252 PolarHBondContact OD2-OG 3.14Å; D40-V255 HydrophobicContact CB-CG2 3.97Å; D40-M288 HydrophobicContact CB-CE 4.09Å; D40-M288 WeakPolarHBondContact OD1-CE 3.41Å |
| 41 | S | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 173.3 | 84.2 | 0 | 0 | 0 | 0 | 113.4 | F22 E25 L37 V38 A39 H43 L45 | F22-S41 WeakPolarHBondContact CD2-O 3.49Å; F22-S41 WeakPolarHBondContact CE2-O 3.44Å; E25-S41 PolarHBondContact OE2-N 2.95Å; L37-S41 PolarHBondContact O-N 2.86Å; L37-S41 VanDerWaalsContact O-N 3.1Å; V38-S41 PolarHBondContact O-N 3.43Å; V38-S41 PolarHBondContact O-OG 2.72Å; A39-S41 VanDerWaalsContact C-N 3.35Å; S41-H43 VanDerWaalsContact C-N 3.34Å; S41-H43 PolarHBondContact O-N 3.46Å; S41-L45 PolarHBondContact O-N 3.37Å |
| 42 | F | 89.5 | Confident | 88.5 | Confident | 71 Ų | 71 | 25.1 Ų | 25.1 | 31% | 0.311 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -72 | -27.2 | 178.7 | -82 | -60.9 | 0 | 0 | 0 | 113.1 | L26 V38 A39 D40 L45 S46 I95 | L26-F42 HydrophobicContact CD1-CE2 4.28Å; L26-F42 HydrophobicContact CD1-CZ 4.26Å; V38-F42 HydrophobicContact CG1-CD2 3.61Å; V38-F42 HydrophobicContact CG1-CE2 3.51Å; V38-F42 VanDerWaalsContact O-CD2 3.28Å; V38-F42 WeakPolarHBondContact O-CD2 3.49Å; V38-F42 PolarHBondContact O-N 3.29Å; A39-F42 PolarHBondContact O-N 3.04Å; D40-F42 PolarHBondContact O-N 3.39Å; F42-L45 HydrophobicContact CD1-CD2 4.14Å; F42-L45 HydrophobicContact CE1-CD2 4.39Å; F42-S46 PolarHBondContact O-N 3.42Å; F42-I95 HydrophobicContact CB-CD1 4.11Å |
| 43 | H | 87.3 | Confident | 88.3 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -54.8 | 171.4 | -176.8 | -90.6 | 0 | 0 | 0 | 110.9 | A39 D40 S41 L45 S46 D47 A247 D248 M288 I292 | A39-H43 PolarHBondContact O-N 2.94Å; D40-H43 WeakPolarHBondContact O-CB 3.44Å; D40-H43 PolarHBondContact O-N 3.35Å; S41-H43 VanDerWaalsContact C-N 3.34Å; S41-H43 PolarHBondContact O-N 3.46Å; H43-L45 VanDerWaalsContact C-N 3.25Å; H43-L45 PolarHBondContact O-N 2.96Å; H43-S46 WeakPolarHBondContact O-CA 3.13Å; H43-S46 VanDerWaalsContact O-CB 3.27Å; H43-S46 WeakPolarHBondContact O-CB 3.33Å; H43-S46 PolarHBondContact O-N 3.13Å; H43-D47 IonicContact CE1-OD2 3.43Å; H43-D47 PolarHBondContact CE1-OD2 3.02Å; H43-D47 IonicContact ND1-OD2 3.82Å; H43-D47 IonicContact NE2-OD2 3.52Å; H43-D47 PolarHBondContact O-N 3.47Å; H43-A247 VanDerWaalsContact CE1-CB 3.42Å; H43-A247 WeakPolarHBondContact CE1-CB 3.28Å; H43-D248 IonicContact CE1-OD1 3.37Å; H43-D248 PolarHBondContact CE1-OD1 2.75Å; H43-D248 VanDerWaalsContact CE1-OD1 3.31Å; H43-D248 IonicContact ND1-OD1 3.68Å; H43-D248 PolarHBondContact ND1-OD1 2.89Å; H43-M288 HydrophobicContact CB-CE 3.72Å; H43-I292 WeakPolarHBondContact CD2-CD1 3.36Å |
| 44 | M | 87 | Confident | 87.8 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.1 | -37 | 176.1 | -74.6 | -172.3 | -72.2 | 0 | 0 | 112.9 | V18 Y21 F22 E25 D40 D47 C48 | V18-M44 HydrophobicContact CG1-CB 4.12Å; V18-M44 HydrophobicContact CG1-CG 4.32Å; V18-M44 HydrophobicContact CG1-SD 4.29Å; Y21-M44 HydrophobicContact CD1-CE 3.81Å; Y21-M44 HydrophobicContact CD1-SD 3.81Å; Y21-M44 HydrophobicContact CE1-CE 3.95Å; Y21-M44 HydrophobicContact CE1-SD 4.32Å; F22-M44 HydrophobicContact CB-CB 4.38Å; F22-M44 HydrophobicContact CB-CE 4.4Å; E25-M44 HydrophobicContact CB-CE 4.33Å; E25-M44 HydrophobicContact CG-CE 3.89Å; E25-M44 WeakPolarHBondContact OE2-CE 3.46Å; D40-M44 PolarHBondContact O-N 2.98Å; M44-D47 PolarHBondContact O-N 3.44Å; M44-C48 PolarHBondContact O-N 3.16Å |
| 45 | L | 87.5 | Confident | 87.4 | Confident | 52 Ų | 52 | 29.1 Ų | 29.1 | 27% | 0.272 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 173.3 | 179.9 | 63.2 | 0 | 0 | 0 | 111.8 | F22 S41 F42 H43 D47 C48 L49 | F22-L45 HydrophobicContact CD2-CB 4.07Å; F22-L45 HydrophobicContact CE1-CD1 3.97Å; F22-L45 HydrophobicContact CE2-CB 3.79Å; F22-L45 HydrophobicContact CE2-CD2 4.17Å; F22-L45 HydrophobicContact CE2-CG 4.39Å; F22-L45 HydrophobicContact CZ-CB 4.07Å; F22-L45 HydrophobicContact CZ-CD1 4Å; F22-L45 HydrophobicContact CZ-CD2 3.86Å; F22-L45 HydrophobicContact CZ-CG 4.19Å; S41-L45 PolarHBondContact O-N 3.37Å; F42-L45 HydrophobicContact CD1-CD2 4.14Å; F42-L45 HydrophobicContact CE1-CD2 4.39Å; H43-L45 VanDerWaalsContact C-N 3.25Å; H43-L45 PolarHBondContact O-N 2.96Å; L45-D47 PolarHBondContact O-N 3.1Å; L45-C48 PolarHBondContact O-N 2.63Å; L45-L49 WeakPolarHBondContact O-CG 3.39Å; L45-L49 PolarHBondContact O-N 3.26Å |
| 46 | S | 85.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.2 | -39.7 | 175.8 | -168.1 | 0 | 0 | 0 | 0 | 111.4 | F42 H43 L49 A50 L88 | F42-S46 PolarHBondContact O-N 3.42Å; H43-S46 WeakPolarHBondContact O-CA 3.13Å; H43-S46 VanDerWaalsContact O-CB 3.27Å; H43-S46 WeakPolarHBondContact O-CB 3.33Å; H43-S46 PolarHBondContact O-N 3.13Å; S46-L49 CarbonylContact O-C 3.56Å; S46-L49 WeakPolarHBondContact O-CB 3.34Å; S46-L49 PolarHBondContact O-N 2.81Å; S46-A50 PolarHBondContact O-N 2.96Å; S46-L88 WeakPolarHBondContact OG-CD1 3.18Å |
| 47 | D | 81.7 | Confident | 87.1 | Confident | 11 Ų | 11 | 31.6 Ų | 31.6 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -77.5 | -31.5 | -179.3 | -74.3 | -18.6 | 0 | 0 | 0 | 113.3 | H43 M44 L45 L49 A50 L51 H244 | H43-D47 IonicContact CE1-OD2 3.43Å; H43-D47 PolarHBondContact CE1-OD2 3.02Å; H43-D47 IonicContact ND1-OD2 3.82Å; H43-D47 IonicContact NE2-OD2 3.52Å; H43-D47 PolarHBondContact O-N 3.47Å; M44-D47 PolarHBondContact O-N 3.44Å; L45-D47 PolarHBondContact O-N 3.1Å; D47-L49 VanDerWaalsContact C-N 3.3Å; D47-L49 PolarHBondContact O-N 2.95Å; D47-A50 VanDerWaalsContact O-CB 3.31Å; D47-A50 WeakPolarHBondContact O-CB 3.49Å; D47-A50 PolarHBondContact O-N 3.01Å; D47-L51 WeakPolarHBondContact O-CG 3.43Å; D47-L51 PolarHBondContact O-N 3.41Å; D47-H244 WeakPolarHBondContact CB-CE1 3.17Å; D47-H244 WeakPolarHBondContact CB-ND1 3.17Å; D47-H244 IonicContact OD2-CE1 3.35Å; D47-H244 IonicContact OD2-CG 3.67Å; D47-H244 IonicContact OD2-ND1 2.73Å; D47-H244 PolarHBondContact OD2-ND1 3.49Å |
| 48 | C | 83.4 | Confident | 86.7 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 13% | 0.128 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 165.2 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | L15 M44 L45 L51 V52 | L15-C48 HydrophobicContact CD1-CB 4.42Å; M44-C48 PolarHBondContact O-N 3.16Å; L45-C48 PolarHBondContact O-N 2.63Å; C48-L51 PolarHBondContact O-N 2.95Å; C48-V52 WeakPolarHBondContact O-CG2 3.27Å; C48-V52 PolarHBondContact O-N 3.45Å; C48-V52 VanDerWaalsContact O-N 3.16Å |
| 49 | L | 86.2 | Confident | 86.5 | Confident | 75 Ų | 75 | 36.6 Ų | 36.6 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 173.8 | -66.4 | 171.6 | 0 | 0 | 0 | 111.5 | L45 S46 D47 L51 V52 I53 | L45-L49 WeakPolarHBondContact O-CG 3.39Å; L45-L49 PolarHBondContact O-N 3.26Å; S46-L49 CarbonylContact O-C 3.56Å; S46-L49 WeakPolarHBondContact O-CB 3.34Å; S46-L49 PolarHBondContact O-N 2.81Å; D47-L49 VanDerWaalsContact C-N 3.3Å; D47-L49 PolarHBondContact O-N 2.95Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-L51 PolarHBondContact O-N 3.46Å; L49-V52 PolarHBondContact O-N 2.96Å; L49-I53 WeakPolarHBondContact O-CB 3.45Å; L49-I53 VanDerWaalsContact O-CG1 3.24Å; L49-I53 WeakPolarHBondContact O-CG1 3.25Å; L49-I53 PolarHBondContact O-N 3.29Å |
| 50 | A | 83.7 | Confident | 86.4 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.8 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S46 D47 G54 N84 | S46-A50 PolarHBondContact O-N 2.96Å; D47-A50 VanDerWaalsContact O-CB 3.31Å; D47-A50 WeakPolarHBondContact O-CB 3.49Å; D47-A50 PolarHBondContact O-N 3.01Å; A50-G54 PolarHBondContact O-N 3.33Å; A50-N84 WeakPolarHBondContact CA-OD1 3.35Å; A50-N84 WeakPolarHBondContact CB-ND2 3.31Å; A50-N84 WeakPolarHBondContact CB-OD1 3.44Å |
| 51 | L | 80.3 | Confident | 86.2 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 27% | 0.272 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 178.3 | -71 | 170.7 | 0 | 0 | 0 | 111.6 | L15 D47 C48 L49 G54 I55 V241 | L15-L51 HydrophobicContact CD1-CD1 3.93Å; D47-L51 WeakPolarHBondContact O-CG 3.43Å; D47-L51 PolarHBondContact O-N 3.41Å; C48-L51 PolarHBondContact O-N 2.95Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-L51 PolarHBondContact O-N 3.46Å; L51-G54 PolarHBondContact O-N 2.92Å; L51-I55 WeakPolarHBondContact O-CB 3.5Å; L51-I55 WeakPolarHBondContact O-CD1 3.28Å; L51-I55 VanDerWaalsContact O-CG1 3.22Å; L51-I55 WeakPolarHBondContact O-CG1 3.42Å; L51-I55 PolarHBondContact O-N 3.01Å; L51-V241 HydrophobicContact CD2-CG2 4.23Å |
| 52 | V | 84.8 | Confident | 86 | Confident | 75 Ų | 75 | 46.6 Ų | 46.6 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.4 | -49.5 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | C48 L49 G54 I55 V56 | C48-V52 WeakPolarHBondContact O-CG2 3.27Å; C48-V52 PolarHBondContact O-N 3.45Å; C48-V52 VanDerWaalsContact O-N 3.16Å; L49-V52 PolarHBondContact O-N 2.96Å; V52-G54 VanDerWaalsContact C-N 3.34Å; V52-G54 PolarHBondContact O-N 2.76Å; V52-I55 PolarHBondContact O-N 3.48Å; V52-V56 WeakPolarHBondContact O-CG2 3.29Å; V52-V56 PolarHBondContact O-N 3.1Å |
| 53 | I | 87.9 | Confident | 86.1 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 178.2 | -67.5 | 164.7 | 0 | 0 | 0 | 110.4 | L49 V56 A57 G80 I83 | L49-I53 WeakPolarHBondContact O-CB 3.45Å; L49-I53 VanDerWaalsContact O-CG1 3.24Å; L49-I53 WeakPolarHBondContact O-CG1 3.25Å; L49-I53 PolarHBondContact O-N 3.29Å; I53-V56 PolarHBondContact O-N 3.46Å; I53-A57 WeakPolarHBondContact O-CB 3.48Å; I53-A57 PolarHBondContact O-N 3.4Å; I53-G80 WeakPolarHBondContact CG2-O 3.49Å; I53-I83 HydrophobicContact CD1-CG2 4.31Å |
| 54 | G | 82.8 | Confident | 86.2 | Confident | 35 Ų | 35 | 54 Ų | 54 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A50 L51 V52 S58 | A50-G54 PolarHBondContact O-N 3.33Å; L51-G54 PolarHBondContact O-N 2.92Å; V52-G54 VanDerWaalsContact C-N 3.34Å; V52-G54 PolarHBondContact O-N 2.76Å; G54-S58 VanDerWaalsContact O-CB 3.23Å; G54-S58 WeakPolarHBondContact O-CB 3.17Å; G54-S58 PolarHBondContact O-N 2.92Å |
| 55 | I | 83.6 | Confident | 86.3 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -49.4 | 174.6 | -71.4 | 165.3 | 0 | 0 | 0 | 110.4 | L51 V52 S58 Q59 | L51-I55 WeakPolarHBondContact O-CB 3.5Å; L51-I55 WeakPolarHBondContact O-CD1 3.28Å; L51-I55 VanDerWaalsContact O-CG1 3.22Å; L51-I55 WeakPolarHBondContact O-CG1 3.42Å; L51-I55 PolarHBondContact O-N 3.01Å; V52-I55 PolarHBondContact O-N 3.48Å; I55-S58 PolarHBondContact O-N 3.41Å; I55-Q59 WeakPolarHBondContact O-CG 3.12Å; I55-Q59 PolarHBondContact O-N 3.4Å |
| 56 | V | 88.8 | Confident | 86.4 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 179.3 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | V52 I53 S58 Q59 I60 | V52-V56 WeakPolarHBondContact O-CG2 3.29Å; V52-V56 PolarHBondContact O-N 3.1Å; I53-V56 PolarHBondContact O-N 3.46Å; V56-S58 PolarHBondContact O-N 3.07Å; V56-Q59 PolarHBondContact O-N 3.49Å; V56-Q59 VanDerWaalsContact O-N 3.15Å; V56-I60 HydrophobicContact CG1-CD1 3.78Å; V56-I60 HydrophobicContact CG1-CG1 4.48Å; V56-I60 WeakPolarHBondContact O-CG1 3.29Å; V56-I60 PolarHBondContact O-N 3.09Å |
| 57 | A | 88.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I53 Q59 I60 A61 A76 | I53-A57 WeakPolarHBondContact O-CB 3.48Å; I53-A57 PolarHBondContact O-N 3.4Å; A57-Q59 VanDerWaalsContact C-N 3.33Å; A57-Q59 PolarHBondContact O-N 3.24Å; A57-I60 PolarHBondContact O-N 2.87Å; A57-A61 VanDerWaalsContact O-CB 3.32Å; A57-A61 WeakPolarHBondContact O-CB 3.4Å; A57-A61 PolarHBondContact O-N 3.37Å; A57-A76 WeakPolarHBondContact CB-O 3.37Å |
| 58 | S | 84.5 | Confident | 87 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -71.1 | -24.3 | 176.6 | -172.1 | 0 | 0 | 0 | 0 | 113.6 | G54 I55 V56 K62 | G54-S58 VanDerWaalsContact O-CB 3.23Å; G54-S58 WeakPolarHBondContact O-CB 3.17Å; G54-S58 PolarHBondContact O-N 2.92Å; I55-S58 PolarHBondContact O-N 3.41Å; V56-S58 PolarHBondContact O-N 3.07Å; S58-K62 VanDerWaalsContact O-CD 3.3Å; S58-K62 WeakPolarHBondContact O-CD 3.49Å; S58-K62 WeakPolarHBondContact O-CE 3.23Å; S58-K62 WeakPolarHBondContact O-CG 3.42Å; S58-K62 PolarHBondContact O-NZ 3.37Å |
| 59 | Q | 88.5 | Confident | 87.3 | Confident | 112 Ų | 112 | 78.4 Ų | 78.4 | 52% | 0.523 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -74.7 | -46.8 | 170.4 | -72.4 | 176.2 | 12.9 | 0 | 0 | 111 | I55 V56 A57 A61 K62 | I55-Q59 WeakPolarHBondContact O-CG 3.12Å; I55-Q59 PolarHBondContact O-N 3.4Å; V56-Q59 PolarHBondContact O-N 3.49Å; V56-Q59 VanDerWaalsContact O-N 3.15Å; A57-Q59 VanDerWaalsContact C-N 3.33Å; A57-Q59 PolarHBondContact O-N 3.24Å; Q59-A61 VanDerWaalsContact C-N 3.31Å; Q59-A61 PolarHBondContact O-N 3.02Å; Q59-K62 PolarHBondContact O-N 3.04Å |
| 60 | I | 90.4 | Very high | 87.5 | Confident | 41 Ų | 41 | 79.3 Ų | 79.3 | 21% | 0.21 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 176.3 | -65.9 | 167.3 | 0 | 0 | 0 | 110.7 | V56 A57 K62 W63 W73 A76 | V56-I60 HydrophobicContact CG1-CD1 3.78Å; V56-I60 HydrophobicContact CG1-CG1 4.48Å; V56-I60 WeakPolarHBondContact O-CG1 3.29Å; V56-I60 PolarHBondContact O-N 3.09Å; A57-I60 PolarHBondContact O-N 2.87Å; I60-K62 PolarHBondContact O-N 3.47Å; I60-W63 HydrophobicContact CB-CD2 4.49Å; I60-W63 HydrophobicContact CG1-CH2 3.96Å; I60-W63 HydrophobicContact CG1-CZ2 3.89Å; I60-W63 HydrophobicContact CG1-CZ3 4.33Å; I60-W63 HydrophobicContact CG2-CD2 4.27Å; I60-W63 HydrophobicContact CG2-CE3 3.91Å; I60-W63 HydrophobicContact CG2-CH2 4.5Å; I60-W63 HydrophobicContact CG2-CZ3 4.03Å; I60-W63 VanDerWaalsContact O-CB 3.3Å; I60-W63 WeakPolarHBondContact O-CB 3.31Å; I60-W63 PolarHBondContact O-N 3.41Å; I60-W73 HydrophobicContact CG2-CB 4.25Å; I60-W73 HydrophobicContact CG2-CD2 4.05Å; I60-W73 HydrophobicContact CG2-CE3 3.57Å; I60-W73 HydrophobicContact CG2-CG 4.38Å; I60-W73 HydrophobicContact CG2-CZ3 4.22Å; I60-W73 WeakPolarHBondContact O-CB 3.5Å; I60-A76 HydrophobicContact CB-CB 4.1Å; I60-A76 HydrophobicContact CG2-CB 3.62Å |
| 61 | A | 87.2 | Confident | 87.6 | Confident | 17 Ų | 17 | 83.9 Ų | 83.9 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A57 Q59 W73 A76 E77 | A57-A61 VanDerWaalsContact O-CB 3.32Å; A57-A61 WeakPolarHBondContact O-CB 3.4Å; A57-A61 PolarHBondContact O-N 3.37Å; Q59-A61 VanDerWaalsContact C-N 3.31Å; Q59-A61 PolarHBondContact O-N 3.02Å; A61-W73 WeakPolarHBondContact CA-O 3.46Å; A61-A76 HydrophobicContact CB-CB 4.43Å; A61-E77 HydrophobicContact CB-CB 4.4Å |
| 62 | K | 87.1 | Confident | 88.1 | Confident | 153 Ų | 153 | 82.2 Ų | 82.2 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -5 | 176.5 | -64.6 | 162.7 | -169 | 152.1 | 0 | 113.6 | S58 Q59 I60 | S58-K62 VanDerWaalsContact O-CD 3.3Å; S58-K62 WeakPolarHBondContact O-CD 3.49Å; S58-K62 WeakPolarHBondContact O-CE 3.23Å; S58-K62 WeakPolarHBondContact O-CG 3.42Å; S58-K62 PolarHBondContact O-NZ 3.37Å; Q59-K62 PolarHBondContact O-N 3.04Å; I60-K62 PolarHBondContact O-N 3.47Å |
| 63 | W | 91.1 | Very high | 88.4 | Confident | 135 Ų | 135 | 83.3 Ų | 83.3 | 51% | 0.511 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -63 | 143.7 | 177.6 | -69.7 | -5.5 | 0 | 0 | 0 | 111.1 | I60 W73 | I60-W63 HydrophobicContact CB-CD2 4.49Å; I60-W63 HydrophobicContact CG1-CH2 3.96Å; I60-W63 HydrophobicContact CG1-CZ2 3.89Å; I60-W63 HydrophobicContact CG1-CZ3 4.33Å; I60-W63 HydrophobicContact CG2-CD2 4.27Å; I60-W63 HydrophobicContact CG2-CE3 3.91Å; I60-W63 HydrophobicContact CG2-CH2 4.5Å; I60-W63 HydrophobicContact CG2-CZ3 4.03Å; I60-W63 VanDerWaalsContact O-CB 3.3Å; I60-W63 WeakPolarHBondContact O-CB 3.31Å; I60-W63 PolarHBondContact O-N 3.41Å; W63-W73 HydrophobicContact CB-CB 4.37Å; W63-W73 HydrophobicContact CB-CG 4.05Å; W63-W73 AromaticContact CE3-CD2 3.95Å; W63-W73 HydrophobicContact CE3-CD2 3.95Å; W63-W73 AromaticContact CE3-CE2 3.74Å; W63-W73 HydrophobicContact CE3-CE3 4.46Å; W63-W73 HydrophobicContact CE3-CG 4.26Å; W63-W73 HydrophobicContact CE3-CZ2 4.07Å; W63-W73 AromaticContact CE3-NE1 3.94Å; W63-W73 HydrophobicContact CZ3-CH2 4.34Å; W63-W73 HydrophobicContact CZ3-CZ2 4.18Å |
| 64 | P | 89.4 | Confident | 88.4 | Confident | 101 Ų | 101 | 84 Ų | 84 | 66% | 0.656 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 162.2 | -177.1 | 26.8 | -35.4 | 0 | 0 | 0 | 112 | ||
| 65 | R | 89.3 | Confident | 88.8 | Confident | 141 Ų | 141 | 86.5 Ų | 86.5 | 53% | 0.532 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 148.5 | 170.7 | -64.6 | 175 | 179.1 | 132.2 | -2.4 | 109.7 | T70 | R65-T70 VanDerWaalsContact CD-O 3.26Å; R65-T70 WeakPolarHBondContact CD-O 3.46Å; R65-T70 WeakPolarHBondContact CG-O 3.44Å |
| 66 | S | 89.3 | Confident | 89.2 | Confident | 55 Ų | 55 | 83 Ų | 83 | 39% | 0.385 | 41% | 0.411 | S | S | . | . | trans | -131.3 | 157.7 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | R68 N69 T70 | S66-R68 PolarHBondContact O-N 3.03Å; S66-R68 VanDerWaalsContact O-N 3.12Å; S66-N69 PolarHBondContact N-O 3.31Å; S66-N69 CarbonylContact O-C 3.04Å; S66-N69 PolarHBondContact O-N 3.43Å; S66-N69 VanDerWaalsContact O-O 3.12Å; S66-T70 PolarHBondContact O-N 3.34Å | ||
| 67 | S | 89.4 | Confident | 89.1 | Confident | 117 Ų | 117 | 81.6 Ų | 81.6 | 82% | 0.818 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -55.6 | -27.8 | 172.9 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 68 | R | 90.2 | Very high | 89.2 | Confident | 226 Ų | 226 | 81.4 Ų | 81.4 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -80.9 | -29.5 | 173.2 | -63.4 | -179 | 67.7 | 157 | 1.4 | 113.8 | S66 | S66-R68 PolarHBondContact O-N 3.03Å; S66-R68 VanDerWaalsContact O-N 3.12Å |
| 69 | N | 90.3 | Very high | 89.5 | Confident | 57 Ų | 57 | 84.6 Ų | 84.6 | 31% | 0.305 | 41% | 0.411 | S | S | . | . | trans | -127.9 | 77 | -175.1 | -69.4 | -11.6 | 0 | 0 | 0 | 109.4 | S66 F71 G72 W73 | S66-N69 PolarHBondContact N-O 3.31Å; S66-N69 CarbonylContact O-C 3.04Å; S66-N69 PolarHBondContact O-N 3.43Å; S66-N69 VanDerWaalsContact O-O 3.12Å; N69-F71 PolarHBondContact O-N 3.14Å; N69-G72 WeakPolarHBondContact O-CA 3.33Å; N69-G72 PolarHBondContact O-N 2.88Å; N69-W73 WeakPolarHBondContact ND2-CZ2 3.34Å | ||
| 70 | T | 90.1 | Very high | 89.6 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 58% | 0.577 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -37 | -172.2 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | R65 S66 G72 | R65-T70 VanDerWaalsContact CD-O 3.26Å; R65-T70 WeakPolarHBondContact CD-O 3.46Å; R65-T70 WeakPolarHBondContact CG-O 3.44Å; S66-T70 PolarHBondContact O-N 3.34Å; T70-G72 PolarHBondContact O-N 3.05Å |
| 71 | F | 86.5 | Confident | 89.4 | Confident | 115 Ų | 115 | 79 Ų | 79 | 50% | 0.504 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -3.2 | 171.2 | -69.9 | -75.2 | 0 | 0 | 0 | 113.8 | N69 L341 I347 | N69-F71 PolarHBondContact O-N 3.14Å; F71-L341 HydrophobicContact CB-CD2 4.24Å; F71-L341 HydrophobicContact CD1-CD2 4.26Å; F71-I347 HydrophobicContact CD1-CD1 4.07Å; F71-I347 HydrophobicContact CE1-CD1 3.66Å; F71-I347 HydrophobicContact CZ-CD1 4.21Å |
| 72 | G | 91.4 | Very high | 89.6 | Confident | 18 Ų | 18 | 79.8 Ų | 79.8 | 19% | 0.186 | 39% | 0.391 | C | S | . | . | trans | 74.9 | -166.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N69 T70 Q74 | N69-G72 WeakPolarHBondContact O-CA 3.33Å; N69-G72 PolarHBondContact O-N 2.88Å; T70-G72 PolarHBondContact O-N 3.05Å; G72-Q74 PolarHBondContact O-N 3.17Å | ||
| 73 | W | 91.1 | Very high | 89.8 | Confident | 98 Ų | 98 | 76.2 Ų | 76.2 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -92.8 | 14.3 | -171.8 | -73.1 | 88.4 | 0 | 0 | 0 | 114.6 | I60 A61 W63 N69 R75 A76 | I60-W73 HydrophobicContact CG2-CB 4.25Å; I60-W73 HydrophobicContact CG2-CD2 4.05Å; I60-W73 HydrophobicContact CG2-CE3 3.57Å; I60-W73 HydrophobicContact CG2-CG 4.38Å; I60-W73 HydrophobicContact CG2-CZ3 4.22Å; I60-W73 WeakPolarHBondContact O-CB 3.5Å; A61-W73 WeakPolarHBondContact CA-O 3.46Å; W63-W73 HydrophobicContact CB-CB 4.37Å; W63-W73 HydrophobicContact CB-CG 4.05Å; W63-W73 AromaticContact CE3-CD2 3.95Å; W63-W73 HydrophobicContact CE3-CD2 3.95Å; W63-W73 AromaticContact CE3-CE2 3.74Å; W63-W73 HydrophobicContact CE3-CE3 4.46Å; W63-W73 HydrophobicContact CE3-CG 4.26Å; W63-W73 HydrophobicContact CE3-CZ2 4.07Å; W63-W73 AromaticContact CE3-NE1 3.94Å; W63-W73 HydrophobicContact CZ3-CH2 4.34Å; W63-W73 HydrophobicContact CZ3-CZ2 4.18Å; N69-W73 WeakPolarHBondContact ND2-CZ2 3.34Å; W73-R75 PolarHBondContact O-N 3.49Å; W73-A76 WeakPolarHBondContact O-CB 3.23Å; W73-A76 PolarHBondContact O-N 3.21Å |
| 74 | Q | 87.8 | Confident | 89.7 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -33 | -172.9 | -64.7 | -175.3 | -2 | 0 | 0 | 114.4 | G72 A76 E77 L341 Q342 | G72-Q74 PolarHBondContact O-N 3.17Å; Q74-A76 PolarHBondContact O-N 3.1Å; Q74-E77 PolarHBondContact O-N 2.74Å; Q74-L341 VanDerWaalsContact OE1-CD2 3.31Å; Q74-Q342 HydrophobicContact CB-CG 4.26Å |
| 75 | R | 91.1 | Very high | 89.7 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -14.9 | 175.3 | -74.7 | -176.4 | 172.6 | 170.3 | 1.4 | 114.1 | W73 E77 V78 M79 L341 | W73-R75 PolarHBondContact O-N 3.49Å; R75-E77 VanDerWaalsContact C-N 3.3Å; R75-E77 PolarHBondContact O-N 2.78Å; R75-V78 PolarHBondContact O-N 3.33Å; R75-M79 PolarHBondContact O-N 3.31Å; R75-L341 HydrophobicContact CG-CD1 3.81Å |
| 76 | A | 91.2 | Very high | 89.8 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.1 | -35.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A57 I60 A61 W73 Q74 V78 M79 G80 | A57-A76 WeakPolarHBondContact CB-O 3.37Å; I60-A76 HydrophobicContact CB-CB 4.1Å; I60-A76 HydrophobicContact CG2-CB 3.62Å; A61-A76 HydrophobicContact CB-CB 4.43Å; W73-A76 WeakPolarHBondContact O-CB 3.23Å; W73-A76 PolarHBondContact O-N 3.21Å; Q74-A76 PolarHBondContact O-N 3.1Å; A76-V78 VanDerWaalsContact C-N 3.34Å; A76-V78 PolarHBondContact O-N 3.43Å; A76-M79 PolarHBondContact O-N 3.31Å; A76-G80 PolarHBondContact O-N 3.05Å |
| 77 | E | 87.1 | Confident | 89.9 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 20% | 0.201 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 174.6 | -175.8 | 177.8 | 123.1 | 0 | 0 | 111.3 | A61 Q74 R75 G80 S81 S343 | A61-E77 HydrophobicContact CB-CB 4.4Å; Q74-E77 PolarHBondContact O-N 2.74Å; R75-E77 VanDerWaalsContact C-N 3.3Å; R75-E77 PolarHBondContact O-N 2.78Å; E77-G80 PolarHBondContact O-N 2.59Å; E77-S81 PolarHBondContact O-N 3.42Å; E77-S81 VanDerWaalsContact O-N 3.12Å; E77-S343 PolarHBondContact OE1-OG 3.21Å |
| 78 | V | 90.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 178 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | R75 A76 S81 L82 A303 I306 L307 Q342 | R75-V78 PolarHBondContact O-N 3.33Å; A76-V78 VanDerWaalsContact C-N 3.34Å; A76-V78 PolarHBondContact O-N 3.43Å; V78-S81 PolarHBondContact O-N 2.67Å; V78-S81 PolarHBondContact O-OG 2.94Å; V78-L82 PolarHBondContact O-N 3.07Å; V78-A303 HydrophobicContact CG1-CB 4.27Å; V78-A303 WeakPolarHBondContact CG1-O 3.5Å; V78-I306 HydrophobicContact CB-CG2 4.48Å; V78-I306 HydrophobicContact CG1-CB 3.94Å; V78-I306 HydrophobicContact CG1-CD1 4.48Å; V78-I306 HydrophobicContact CG1-CG2 3.93Å; V78-I306 HydrophobicContact CG2-CG2 3.88Å; V78-L307 HydrophobicContact CB-CD2 4.38Å; V78-L307 HydrophobicContact CG1-CD2 4.04Å; V78-L307 HydrophobicContact CG1-CG 3.93Å; V78-Q342 HydrophobicContact CG2-CB 4.48Å |
| 79 | M | 91.5 | Very high | 89.9 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 44% | 0.438 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 176.9 | -169.9 | 64.5 | -169.7 | 0 | 0 | 111.6 | R75 A76 S81 L82 I83 L307 | R75-M79 PolarHBondContact O-N 3.31Å; A76-M79 PolarHBondContact O-N 3.31Å; M79-S81 PolarHBondContact O-N 3.03Å; M79-L82 PolarHBondContact O-N 3.09Å; M79-I83 HydrophobicContact CE-CD1 4.05Å; M79-I83 HydrophobicContact CE-CG1 4.01Å; M79-I83 HydrophobicContact CG-CD1 4.01Å; M79-I83 HydrophobicContact CG-CG1 4.49Å; M79-I83 VanDerWaalsContact O-CG1 3.3Å; M79-I83 WeakPolarHBondContact O-CG1 3.4Å; M79-I83 PolarHBondContact O-N 3.31Å; M79-L307 HydrophobicContact SD-CD1 4.13Å |
| 80 | G | 90.3 | Very high | 90.1 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I53 A76 E77 I83 N84 | I53-G80 WeakPolarHBondContact CG2-O 3.49Å; A76-G80 PolarHBondContact O-N 3.05Å; E77-G80 PolarHBondContact O-N 2.59Å; G80-I83 PolarHBondContact O-N 3.3Å; G80-N84 WeakPolarHBondContact O-CB 3.33Å; G80-N84 PolarHBondContact O-N 3Å |
| 81 | S | 86 | Confident | 90.1 | Very high | 30 Ų | 30 | 47 Ų | 47 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.4 | -36.7 | 176 | 72.6 | 0 | 0 | 0 | 0 | 112.6 | E77 V78 M79 T85 | E77-S81 PolarHBondContact O-N 3.42Å; E77-S81 VanDerWaalsContact O-N 3.12Å; V78-S81 PolarHBondContact O-N 2.67Å; V78-S81 PolarHBondContact O-OG 2.94Å; M79-S81 PolarHBondContact O-N 3.03Å; S81-T85 PolarHBondContact O-N 3.23Å; S81-T85 PolarHBondContact O-OG1 2.88Å |
| 82 | L | 91.5 | Very high | 90.4 | Very high | 32 Ų | 32 | 41.6 Ų | 41.6 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -48.3 | 174.1 | -179.1 | 61.2 | 0 | 0 | 0 | 112.1 | V78 M79 N84 T85 V86 M300 A303 L307 | V78-L82 PolarHBondContact O-N 3.07Å; M79-L82 PolarHBondContact O-N 3.09Å; L82-N84 VanDerWaalsContact C-N 3.29Å; L82-N84 PolarHBondContact O-N 3.35Å; L82-T85 PolarHBondContact O-N 3.12Å; L82-T85 VanDerWaalsContact O-N 3.14Å; L82-V86 HydrophobicContact CD1-CG2 4.17Å; L82-V86 HydrophobicContact CG-CG2 4.46Å; L82-V86 WeakPolarHBondContact O-CG2 3.12Å; L82-V86 PolarHBondContact O-N 3.16Å; L82-M300 HydrophobicContact CD1-CG 3.88Å; L82-A303 HydrophobicContact CB-CB 4.3Å; L82-L307 HydrophobicContact CB-CD1 4.46Å; L82-L307 HydrophobicContact CD2-CD1 3.52Å |
| 83 | I | 91.7 | Very high | 90.4 | Very high | 78 Ų | 78 | 44.8 Ų | 44.8 | 40% | 0.4 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.9 | -47.9 | 177.3 | -68.6 | 165.7 | 0 | 0 | 0 | 109.9 | I53 M79 G80 T85 V86 V87 | I53-I83 HydrophobicContact CD1-CG2 4.31Å; M79-I83 HydrophobicContact CE-CD1 4.05Å; M79-I83 HydrophobicContact CE-CG1 4.01Å; M79-I83 HydrophobicContact CG-CD1 4.01Å; M79-I83 HydrophobicContact CG-CG1 4.49Å; M79-I83 VanDerWaalsContact O-CG1 3.3Å; M79-I83 WeakPolarHBondContact O-CG1 3.4Å; M79-I83 PolarHBondContact O-N 3.31Å; G80-I83 PolarHBondContact O-N 3.3Å; I83-T85 PolarHBondContact O-N 3.11Å; I83-V86 PolarHBondContact O-N 2.96Å; I83-V87 WeakPolarHBondContact O-CG2 3.32Å; I83-V87 PolarHBondContact O-N 2.98Å |
| 84 | N | 88.1 | Confident | 90.5 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.8 | -49 | 176.1 | -179.3 | 54 | 0 | 0 | 0 | 112.4 | A50 G80 L82 V86 V87 L88 | A50-N84 WeakPolarHBondContact CA-OD1 3.35Å; A50-N84 WeakPolarHBondContact CB-ND2 3.31Å; A50-N84 WeakPolarHBondContact CB-OD1 3.44Å; G80-N84 WeakPolarHBondContact O-CB 3.33Å; G80-N84 PolarHBondContact O-N 3Å; L82-N84 VanDerWaalsContact C-N 3.29Å; L82-N84 PolarHBondContact O-N 3.35Å; N84-V86 VanDerWaalsContact C-N 3.28Å; N84-V86 PolarHBondContact O-N 3.36Å; N84-V87 PolarHBondContact O-N 3.05Å; N84-V87 VanDerWaalsContact O-N 3.15Å; N84-L88 PolarHBondContact O-N 3.09Å |
| 85 | T | 89 | Confident | 90.7 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -32.2 | -176.6 | -44.7 | 0 | 0 | 0 | 0 | 112 | S81 L82 I83 I89 A296 M300 | S81-T85 PolarHBondContact O-N 3.23Å; S81-T85 PolarHBondContact O-OG1 2.88Å; L82-T85 PolarHBondContact O-N 3.12Å; L82-T85 VanDerWaalsContact O-N 3.14Å; I83-T85 PolarHBondContact O-N 3.11Å; T85-I89 HydrophobicContact CG2-CD1 4.1Å; T85-I89 WeakPolarHBondContact O-CB 3.35Å; T85-I89 VanDerWaalsContact O-CG1 3.28Å; T85-I89 WeakPolarHBondContact O-CG1 3.42Å; T85-I89 PolarHBondContact O-N 3.07Å; T85-A296 HydrophobicContact CG2-CB 4.14Å; T85-A296 WeakPolarHBondContact CG2-O 3.48Å; T85-M300 HydrophobicContact CG2-CB 3.67Å; T85-M300 HydrophobicContact CG2-CG 4.4Å |
| 86 | V | 92.5 | Very high | 90.8 | Very high | 72 Ų | 72 | 39.5 Ų | 39.5 | 44% | 0.436 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.9 | -39.8 | 173 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | L82 I83 N84 T90 | L82-V86 HydrophobicContact CD1-CG2 4.17Å; L82-V86 HydrophobicContact CG-CG2 4.46Å; L82-V86 WeakPolarHBondContact O-CG2 3.12Å; L82-V86 PolarHBondContact O-N 3.16Å; I83-V86 PolarHBondContact O-N 2.96Å; N84-V86 VanDerWaalsContact C-N 3.28Å; N84-V86 PolarHBondContact O-N 3.36Å; V86-T90 WeakPolarHBondContact O-CB 3.19Å; V86-T90 PolarHBondContact O-N 2.92Å; V86-T90 PolarHBondContact O-OG1 3.07Å |
| 87 | V | 90.3 | Very high | 91 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 28% | 0.279 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.1 | -48.5 | 174 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | I83 N84 I89 T90 L91 | I83-V87 WeakPolarHBondContact O-CG2 3.32Å; I83-V87 PolarHBondContact O-N 2.98Å; N84-V87 PolarHBondContact O-N 3.05Å; N84-V87 VanDerWaalsContact O-N 3.15Å; V87-I89 PolarHBondContact O-N 3.25Å; V87-T90 WeakPolarHBondContact O-CB 3.27Å; V87-T90 PolarHBondContact O-N 2.86Å; V87-T90 VanDerWaalsContact O-N 3.15Å; V87-L91 HydrophobicContact CG1-CD1 4.07Å; V87-L91 WeakPolarHBondContact O-CG 3.23Å; V87-L91 PolarHBondContact O-N 3.44Å |
| 88 | L | 89.5 | Confident | 91.3 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 178.3 | -178.9 | 64 | 0 | 0 | 0 | 112.1 | S46 N84 T90 L91 C92 I292 A296 | S46-L88 WeakPolarHBondContact OG-CD1 3.18Å; N84-L88 PolarHBondContact O-N 3.09Å; L88-T90 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 2.75Å; L88-L91 PolarHBondContact O-N 3.25Å; L88-C92 WeakPolarHBondContact O-CB 3.26Å; L88-C92 PolarHBondContact O-N 3.49Å; L88-C92 PolarHBondContact O-SG 2.75Å; L88-I292 HydrophobicContact CD1-CG2 3.86Å; L88-I292 HydrophobicContact CD2-CG2 4.05Å; L88-I292 HydrophobicContact CG-CG2 4.03Å; L88-A296 HydrophobicContact CD2-CB 3.85Å |
| 89 | I | 91.5 | Very high | 91.4 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 177.1 | -70.6 | 168.7 | 0 | 0 | 0 | 111.2 | T85 V87 C92 M93 L293 A296 M300 | T85-I89 HydrophobicContact CG2-CD1 4.1Å; T85-I89 WeakPolarHBondContact O-CB 3.35Å; T85-I89 VanDerWaalsContact O-CG1 3.28Å; T85-I89 WeakPolarHBondContact O-CG1 3.42Å; T85-I89 PolarHBondContact O-N 3.07Å; V87-I89 PolarHBondContact O-N 3.25Å; I89-C92 WeakPolarHBondContact O-CB 3.44Å; I89-C92 PolarHBondContact O-N 3.19Å; I89-M93 HydrophobicContact CG2-CE 4.46Å; I89-M93 HydrophobicContact CG2-CG 4.44Å; I89-M93 VanDerWaalsContact O-CG 3.3Å; I89-M93 WeakPolarHBondContact O-CG 3.42Å; I89-M93 PolarHBondContact O-N 3.48Å; I89-L293 HydrophobicContact CG1-CD2 4.1Å; I89-L293 HydrophobicContact CG2-CD2 4.43Å; I89-A296 HydrophobicContact CG1-CB 4.34Å; I89-M300 HydrophobicContact CD1-CE 3.83Å; I89-M300 HydrophobicContact CD1-SD 3.59Å; I89-M300 VanDerWaalsContact CD1-SD 3.59Å |
| 90 | T | 92.9 | Very high | 91.5 | Very high | 82 Ų | 82 | 48.1 Ų | 48.1 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 176.1 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | V86 V87 L88 M93 T94 | V86-T90 WeakPolarHBondContact O-CB 3.19Å; V86-T90 PolarHBondContact O-N 2.92Å; V86-T90 PolarHBondContact O-OG1 3.07Å; V87-T90 WeakPolarHBondContact O-CB 3.27Å; V87-T90 PolarHBondContact O-N 2.86Å; V87-T90 VanDerWaalsContact O-N 3.15Å; L88-T90 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 2.75Å; T90-M93 PolarHBondContact O-N 3.07Å; T90-T94 PolarHBondContact O-N 3.38Å; T90-T94 VanDerWaalsContact O-N 3.07Å; T90-T94 PolarHBondContact O-OG1 3.15Å |
| 91 | L | 90.9 | Very high | 91.7 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67 | -43.8 | 175.3 | -69.7 | 172.6 | 0 | 0 | 0 | 111.5 | V87 L88 M93 T94 I95 | V87-L91 HydrophobicContact CG1-CD1 4.07Å; V87-L91 WeakPolarHBondContact O-CG 3.23Å; V87-L91 PolarHBondContact O-N 3.44Å; L88-L91 PolarHBondContact O-N 3.25Å; L91-M93 VanDerWaalsContact C-N 3.34Å; L91-M93 PolarHBondContact O-N 2.92Å; L91-T94 WeakPolarHBondContact O-CB 3.41Å; L91-T94 PolarHBondContact O-N 2.88Å; L91-I95 WeakPolarHBondContact O-CG1 3.44Å; L91-I95 PolarHBondContact O-N 3.47Å |
| 92 | C | 91.7 | Very high | 92 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55 | -46.5 | 173.9 | -73.9 | 0 | 0 | 0 | 0 | 112.3 | L88 I89 T94 I95 L96 V289 I292 L293 | L88-C92 WeakPolarHBondContact O-CB 3.26Å; L88-C92 PolarHBondContact O-N 3.49Å; L88-C92 PolarHBondContact O-SG 2.75Å; I89-C92 WeakPolarHBondContact O-CB 3.44Å; I89-C92 PolarHBondContact O-N 3.19Å; C92-T94 VanDerWaalsContact C-N 3.31Å; C92-T94 PolarHBondContact O-N 3.33Å; C92-I95 PolarHBondContact O-N 3Å; C92-L96 VanDerWaalsContact O-CB 3.31Å; C92-L96 WeakPolarHBondContact O-CB 3.44Å; C92-L96 PolarHBondContact O-N 3.42Å; C92-V289 HydrophobicContact CB-CG1 3.87Å; C92-I292 WeakPolarHBondContact SG-CG2 3.3Å; C92-L293 HydrophobicContact CB-CD2 3.76Å; C92-L293 HydrophobicContact CB-CG 4.06Å |
| 93 | M | 92.9 | Very high | 92.1 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | 176.8 | -67.8 | -63.4 | 165 | 0 | 0 | 112.2 | I89 T90 L91 L96 L97 L293 | I89-M93 HydrophobicContact CG2-CE 4.46Å; I89-M93 HydrophobicContact CG2-CG 4.44Å; I89-M93 VanDerWaalsContact O-CG 3.3Å; I89-M93 WeakPolarHBondContact O-CG 3.42Å; I89-M93 PolarHBondContact O-N 3.48Å; T90-M93 PolarHBondContact O-N 3.07Å; L91-M93 VanDerWaalsContact C-N 3.34Å; L91-M93 PolarHBondContact O-N 2.92Å; M93-L96 PolarHBondContact O-N 3.35Å; M93-L96 HydrophobicContact SD-CD2 4.17Å; M93-L97 VanDerWaalsContact O-CG 3.29Å; M93-L97 WeakPolarHBondContact O-CG 3.2Å; M93-L97 PolarHBondContact O-N 2.89Å; M93-L293 HydrophobicContact CE-CD1 4.08Å; M93-L293 HydrophobicContact CE-CD2 4.34Å |
| 94 | T | 93.1 | Very high | 92.1 | Very high | 75 Ų | 75 | 56.1 Ų | 56.1 | 46% | 0.46 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 175.4 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | T90 L91 C92 L97 R98 | T90-T94 PolarHBondContact O-N 3.38Å; T90-T94 VanDerWaalsContact O-N 3.07Å; T90-T94 PolarHBondContact O-OG1 3.15Å; L91-T94 WeakPolarHBondContact O-CB 3.41Å; L91-T94 PolarHBondContact O-N 2.88Å; C92-T94 VanDerWaalsContact C-N 3.31Å; C92-T94 PolarHBondContact O-N 3.33Å; T94-L97 PolarHBondContact O-N 3.3Å; T94-R98 WeakPolarHBondContact O-CG 3.37Å; T94-R98 PolarHBondContact O-N 3.2Å; T94-R98 VanDerWaalsContact O-N 3.09Å |
| 95 | I | 91.5 | Very high | 92.3 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 8% | 0.077 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 176.9 | -63.4 | 163.3 | 0 | 0 | 0 | 110.7 | A39 F42 L91 C92 L97 R98 A99 V289 | A39-I95 HydrophobicContact CB-CD1 4.18Å; A39-I95 HydrophobicContact CB-CG1 4.49Å; A39-I95 HydrophobicContact CB-CG2 3.57Å; F42-I95 HydrophobicContact CB-CD1 4.11Å; L91-I95 WeakPolarHBondContact O-CG1 3.44Å; L91-I95 PolarHBondContact O-N 3.47Å; C92-I95 PolarHBondContact O-N 3Å; I95-L97 PolarHBondContact O-N 2.93Å; I95-R98 PolarHBondContact O-N 3.48Å; I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.26Å; I95-V289 HydrophobicContact CB-CG2 3.84Å; I95-V289 HydrophobicContact CG2-CG2 3.49Å; I95-V289 VanDerWaalsContact CG2-CG2 3.49Å |
| 96 | L | 94 | Very high | 92.2 | Very high | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 176.4 | -179.5 | 59 | 0 | 0 | 0 | 111.8 | C92 M93 R98 A99 I100 I286 V289 | C92-L96 VanDerWaalsContact O-CB 3.31Å; C92-L96 WeakPolarHBondContact O-CB 3.44Å; C92-L96 PolarHBondContact O-N 3.42Å; M93-L96 PolarHBondContact O-N 3.35Å; M93-L96 HydrophobicContact SD-CD2 4.17Å; L96-R98 VanDerWaalsContact C-N 3.35Å; L96-R98 PolarHBondContact O-N 3.38Å; L96-A99 PolarHBondContact O-N 2.96Å; L96-I100 HydrophobicContact CD1-CD1 4.06Å; L96-I100 HydrophobicContact CD1-CG1 4.45Å; L96-I100 HydrophobicContact CG-CD1 3.97Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.4Å; L96-I286 HydrophobicContact CD1-CD1 4.39Å; L96-I286 HydrophobicContact CD1-CG1 4.01Å; L96-I286 HydrophobicContact CD1-CG2 4.41Å; L96-V289 HydrophobicContact CB-CG1 4.25Å |
| 97 | L | 94.8 | Very high | 91.9 | Very high | 118 Ų | 118 | 64.7 Ų | 64.7 | 62% | 0.618 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.8 | -40.1 | 176.9 | -70.7 | 171.4 | 0 | 0 | 0 | 111.9 | M93 T94 I95 I100 E101 | M93-L97 VanDerWaalsContact O-CG 3.29Å; M93-L97 WeakPolarHBondContact O-CG 3.2Å; M93-L97 PolarHBondContact O-N 2.89Å; T94-L97 PolarHBondContact O-N 3.3Å; I95-L97 PolarHBondContact O-N 2.93Å; L97-I100 PolarHBondContact O-N 3Å; L97-E101 WeakPolarHBondContact O-CB 3.48Å; L97-E101 PolarHBondContact O-N 3.06Å |
| 98 | R | 93 | Very high | 91.8 | Very high | 138 Ų | 138 | 65.1 Ų | 65.1 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 174 | -70.6 | -57.7 | -163.1 | 172.2 | 4.5 | 113 | I35 T94 I95 L96 E101 R102 | I35-R98 HydrophobicContact CD1-CB 4.47Å; I35-R98 WeakPolarHBondContact CD1-O 3.3Å; I35-R98 HydrophobicContact CG2-CB 4.47Å; T94-R98 WeakPolarHBondContact O-CG 3.37Å; T94-R98 PolarHBondContact O-N 3.2Å; T94-R98 VanDerWaalsContact O-N 3.09Å; I95-R98 PolarHBondContact O-N 3.48Å; L96-R98 VanDerWaalsContact C-N 3.35Å; L96-R98 PolarHBondContact O-N 3.38Å; R98-E101 WeakPolarHBondContact CD-OE2 3.24Å; R98-E101 IonicContact CZ-OE2 2.87Å; R98-E101 IonicContact NE-OE2 3.91Å; R98-E101 IonicContact NH1-OE1 3.59Å; R98-E101 IonicContact NH1-OE2 3.85Å; R98-E101 PolarHBondContact NH1-OE2 3.33Å; R98-E101 PolarHBondContact O-N 3.42Å; R98-R102 WeakPolarHBondContact O-CB 3.5Å; R98-R102 PolarHBondContact O-N 3.03Å |
| 99 | A | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I95 L96 R102 F103 P282 I286 | I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.26Å; L96-A99 PolarHBondContact O-N 2.96Å; A99-R102 PolarHBondContact O-N 3.5Å; A99-F103 VanDerWaalsContact O-CD2 3.29Å; A99-F103 WeakPolarHBondContact O-CD2 3.4Å; A99-F103 PolarHBondContact O-N 3.02Å; A99-F103 VanDerWaalsContact O-N 3.15Å; A99-P282 HydrophobicContact CB-CB 4.36Å; A99-P282 WeakPolarHBondContact O-CB 3.4Å; A99-I286 HydrophobicContact CB-CD1 4.37Å; A99-I286 HydrophobicContact CB-CG1 3.73Å |
| 100 | I | 94.3 | Very high | 91.2 | Very high | 77 Ų | 77 | 69.7 Ų | 69.7 | 40% | 0.395 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 175.2 | -67.2 | 164.5 | 0 | 0 | 0 | 111.6 | L96 L97 R102 F103 I286 | L96-I100 HydrophobicContact CD1-CD1 4.06Å; L96-I100 HydrophobicContact CD1-CG1 4.45Å; L96-I100 HydrophobicContact CG-CD1 3.97Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.4Å; L97-I100 PolarHBondContact O-N 3Å; I100-R102 PolarHBondContact O-N 2.72Å; I100-F103 WeakPolarHBondContact O-CB 3.27Å; I100-F103 PolarHBondContact O-N 3.31Å; I100-F103 VanDerWaalsContact O-N 3.1Å; I100-I286 HydrophobicContact CG1-CD1 4.41Å |
| 101 | E | 94.3 | Very high | 90.9 | Very high | 91 Ų | 91 | 69.2 Ų | 69.2 | 43% | 0.425 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -53.4 | -44.5 | 173.1 | -177.8 | -180 | -149.3 | 0 | 0 | 110.7 | L97 R98 F103 I104 E105 | L97-E101 WeakPolarHBondContact O-CB 3.48Å; L97-E101 PolarHBondContact O-N 3.06Å; R98-E101 WeakPolarHBondContact CD-OE2 3.24Å; R98-E101 IonicContact CZ-OE2 2.87Å; R98-E101 IonicContact NE-OE2 3.91Å; R98-E101 IonicContact NH1-OE1 3.59Å; R98-E101 IonicContact NH1-OE2 3.85Å; R98-E101 PolarHBondContact NH1-OE2 3.33Å; R98-E101 PolarHBondContact O-N 3.42Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 2.83Å; E101-I104 PolarHBondContact O-N 3.06Å; E101-E105 PolarHBondContact O-N 3.38Å |
| 102 | R | 91.7 | Very high | 90.8 | Very high | 15 Ų | 15 | 69 Ų | 69 | 6% | 0.057 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.5 | -19 | 178.6 | -171.9 | 57.2 | 161.5 | -109.7 | -5.6 | 115.4 | H33 I35 R98 A99 I100 I104 E105 Q107 P282 | H33-R102 PolarHBondContact O-NH2 2.91Å; I35-R102 HydrophobicContact CD1-CB 3.42Å; I35-R102 VanDerWaalsContact CD1-CB 3.42Å; I35-R102 HydrophobicContact CD1-CG 3.6Å; I35-R102 HydrophobicContact CG1-CG 4.4Å; R98-R102 WeakPolarHBondContact O-CB 3.5Å; R98-R102 PolarHBondContact O-N 3.03Å; A99-R102 PolarHBondContact O-N 3.5Å; I100-R102 PolarHBondContact O-N 2.72Å; R102-I104 VanDerWaalsContact C-N 3.3Å; R102-E105 VanDerWaalsContact CD-O 3.32Å; R102-E105 WeakPolarHBondContact CD-O 3.22Å; R102-Q107 VanDerWaalsContact CZ-CB 3.47Å; R102-Q107 PolarHBondContact NE-O 3.46Å; R102-Q107 PolarHBondContact NH2-O 3.01Å; R102-P282 HydrophobicContact CB-CB 4.15Å; R102-P282 HydrophobicContact CG-CB 4.1Å; R102-P282 HydrophobicContact CG-CG 4.1Å |
| 103 | F | 92.6 | Very high | 90.8 | Very high | 72 Ų | 72 | 74.6 Ų | 74.6 | 32% | 0.316 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.9 | -25.8 | 167.9 | -91.7 | -81.2 | 0 | 0 | 0 | 112.4 | A99 I100 E101 Y279 P282 S283 I286 | A99-F103 VanDerWaalsContact O-CD2 3.29Å; A99-F103 WeakPolarHBondContact O-CD2 3.4Å; A99-F103 PolarHBondContact O-N 3.02Å; A99-F103 VanDerWaalsContact O-N 3.15Å; I100-F103 WeakPolarHBondContact O-CB 3.27Å; I100-F103 PolarHBondContact O-N 3.31Å; I100-F103 VanDerWaalsContact O-N 3.1Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 2.83Å; F103-Y279 AromaticContact CD1-CD1 3.45Å; F103-Y279 HydrophobicContact CD1-CD1 3.45Å; F103-Y279 VanDerWaalsContact CD1-CD1 3.45Å; F103-Y279 HydrophobicContact CD1-CE1 4.04Å; F103-Y279 HydrophobicContact CD1-CG 4.31Å; F103-Y279 AromaticContact CE1-CD1 3.79Å; F103-Y279 HydrophobicContact CE1-CD1 3.79Å; F103-Y279 HydrophobicContact CE1-CG 4.22Å; F103-Y279 HydrophobicContact CG-CD1 4.38Å; F103-Y279 WeakPolarHBondContact O-CE1 3.26Å; F103-P282 HydrophobicContact CD2-CB 3.79Å; F103-P282 HydrophobicContact CD2-CG 4.18Å; F103-P282 HydrophobicContact CE2-CB 3.67Å; F103-P282 HydrophobicContact CE2-CG 4.05Å; F103-P282 HydrophobicContact CZ-CB 4.37Å; F103-P282 HydrophobicContact CZ-CG 4.31Å; F103-S283 WeakPolarHBondContact CZ-OG 3.41Å; F103-I286 HydrophobicContact CD2-CD1 4.15Å; F103-I286 HydrophobicContact CE2-CD1 3.62Å |
| 104 | I | 93 | Very high | 90.8 | Very high | 137 Ų | 137 | 74.6 Ų | 74.6 | 70% | 0.703 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -90.1 | -52.4 | 177.6 | -56.9 | 174.1 | 0 | 0 | 0 | 109.4 | E101 R102 | E101-I104 PolarHBondContact O-N 3.06Å; R102-I104 VanDerWaalsContact C-N 3.3Å |
| 105 | E | 91 | Very high | 90.8 | Very high | 133 Ų | 133 | 71 Ų | 71 | 62% | 0.621 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -102.1 | 77 | 178.6 | -66 | -170.5 | -168.9 | 0 | 0 | 110.7 | E101 R102 Q107 | E101-E105 PolarHBondContact O-N 3.38Å; R102-E105 VanDerWaalsContact CD-O 3.32Å; R102-E105 WeakPolarHBondContact CD-O 3.22Å; E105-Q107 PolarHBondContact O-N 2.95Å |
| 106 | T | 88 | Confident | 90.9 | Very high | 51 Ų | 51 | 71.4 Ų | 71.4 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | trans | -64.9 | 124.8 | 179.2 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | L278 Y279 | T106-L278 HydrophobicContact CG2-CB 4.12Å; T106-Y279 HydrophobicContact CG2-CD1 4.03Å; T106-Y279 HydrophobicContact CG2-CE1 3.4Å; T106-Y279 VanDerWaalsContact CG2-CE1 3.4Å | ||
| 107 | Q | 87 | Confident | 90.9 | Very high | 92 Ų | 92 | 77.2 Ų | 77.2 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | trans | -118.5 | 143.7 | 167.7 | -30.8 | 169.9 | -25 | 0 | 0 | 109.5 | R102 E105 | R102-Q107 VanDerWaalsContact CZ-CB 3.47Å; R102-Q107 PolarHBondContact NE-O 3.46Å; R102-Q107 PolarHBondContact NH2-O 3.01Å; E105-Q107 PolarHBondContact O-N 2.95Å | ||
| 108 | A | 86.7 | Confident | 90.9 | Very high | 55 Ų | 55 | 72.2 Ų | 72.2 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | trans | -74.6 | 150.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L278 | A108-L278 HydrophobicContact CB-CD2 4.06Š| ||
| 109 | I | 88.3 | Confident | 90.9 | Very high | 30 Ų | 30 | 65.6 Ų | 65.6 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | trans | -80.3 | 124.1 | 174.2 | -73.8 | 164.4 | 0 | 0 | 0 | 109.5 | I32 S111 P112 M115 L262 D281 | I32-I109 HydrophobicContact CB-CG2 4.27Å; I32-I109 HydrophobicContact CD1-CG2 4.26Å; I32-I109 HydrophobicContact CG1-CG2 4.32Å; I32-I109 WeakPolarHBondContact O-CA 3.46Å; I109-S111 PolarHBondContact O-N 3.32Å; I109-P112 HydrophobicContact CG2-CB 4.45Å; I109-M115 HydrophobicContact CD1-SD 4.09Å; I109-L262 HydrophobicContact CD1-CD1 3.57Å; I109-D281 HydrophobicContact CD1-CB 3.67Å | ||
| 110 | E | 79.6 | Confident | 90.9 | Very high | 112 Ų | 112 | 68.4 Ų | 68.4 | 52% | 0.523 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -82.9 | 106.1 | 178.9 | -62.4 | -173.3 | 158.8 | 0 | 0 | 109.4 | I32 H33 | I32-E110 WeakPolarHBondContact CB-O 3.38Å; I32-E110 WeakPolarHBondContact CG2-O 3.44Å; I32-E110 PolarHBondContact O-N 2.96Å; H33-E110 IonicContact CE1-OE2 3.62Å; H33-E110 PolarHBondContact CE1-OE2 2.99Å; H33-E110 IonicContact ND1-OE2 3.21Å; H33-E110 PolarHBondContact ND1-OE2 3.29Å |
| 111 | S | 88.3 | Confident | 90.8 | Very high | 73 Ų | 73 | 65.9 Ų | 65.9 | 51% | 0.51 | 34% | 0.344 | S | S | . | . | trans | 69.8 | 72.3 | -178.4 | -49.3 | 0 | 0 | 0 | 0 | 115.9 | I109 Q113 M114 | I109-S111 PolarHBondContact O-N 3.32Å; S111-Q113 PolarHBondContact O-N 3.23Å; S111-M114 PolarHBondContact O-N 2.97Å | ||
| 112 | P | 87.5 | Confident | 90.6 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.6 | -16.3 | 175.8 | 23.4 | -34.4 | 0 | 0 | 0 | 115 | I109 M115 V116 L262 L263 | I109-P112 HydrophobicContact CG2-CB 4.45Å; P112-M115 WeakPolarHBondContact O-CB 3.39Å; P112-M115 PolarHBondContact O-N 3.43Å; P112-V116 PolarHBondContact O-N 2.93Å; P112-L262 HydrophobicContact CB-CB 4.18Å; P112-L263 HydrophobicContact CB-CD2 4.01Å; P112-L263 HydrophobicContact CB-CG 4.23Å; P112-L263 HydrophobicContact CG-CD2 3.74Å; P112-L263 HydrophobicContact CG-CG 4.46Å |
| 113 | Q | 91.9 | Very high | 90.6 | Very high | 120 Ų | 120 | 62.9 Ų | 62.9 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | 171 | -67 | 178.6 | -27 | 0 | 0 | 112.4 | S111 M115 V116 Y117 L263 | S111-Q113 PolarHBondContact O-N 3.23Å; Q113-M115 VanDerWaalsContact C-N 3.3Å; Q113-M115 PolarHBondContact O-N 3.27Å; Q113-V116 PolarHBondContact O-N 3.27Å; Q113-Y117 HydrophobicContact CB-CE2 4.34Å; Q113-Y117 WeakPolarHBondContact O-CD2 3.35Å; Q113-Y117 PolarHBondContact O-N 2.91Å; Q113-Y117 VanDerWaalsContact O-N 3.1Å; Q113-L263 HydrophobicContact CG-CD1 4.46Å; Q113-L263 HydrophobicContact CG-CD2 3.95Å |
| 114 | M | 92.9 | Very high | 90.5 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 176.5 | -67.3 | -60.8 | -67.4 | 0 | 0 | 111.3 | V28 I32 S111 V116 Y117 V118 | V28-M114 HydrophobicContact CG1-CB 4.22Å; I32-M114 HydrophobicContact CG2-CB 4.16Å; S111-M114 PolarHBondContact O-N 2.97Å; M114-V116 VanDerWaalsContact C-N 3.34Å; M114-V116 PolarHBondContact O-N 2.93Å; M114-Y117 PolarHBondContact O-N 3.03Å; M114-Y117 HydrophobicContact SD-CD2 4.41Å; M114-V118 WeakPolarHBondContact O-CG2 3.47Å; M114-V118 PolarHBondContact O-N 3.03Å |
| 115 | M | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 175.1 | -160.4 | -177.9 | 173.4 | 0 | 0 | 112.1 | I32 S34 I109 P112 Q113 G119 V255 A259 L262 | I32-M115 HydrophobicContact CD1-CB 3.67Å; I32-M115 HydrophobicContact CD1-CG 3.88Å; I32-M115 HydrophobicContact CD1-SD 4.5Å; S34-M115 WeakPolarHBondContact OG-CE 3.4Å; I109-M115 HydrophobicContact CD1-SD 4.09Å; P112-M115 WeakPolarHBondContact O-CB 3.39Å; P112-M115 PolarHBondContact O-N 3.43Å; Q113-M115 VanDerWaalsContact C-N 3.3Å; Q113-M115 PolarHBondContact O-N 3.27Å; M115-G119 PolarHBondContact O-N 3.48Å; M115-V255 HydrophobicContact CE-CG1 3.99Å; M115-V255 HydrophobicContact CG-CG1 4.14Å; M115-A259 HydrophobicContact CB-CB 3.8Å; M115-A259 HydrophobicContact CG-CB 3.76Å; M115-A259 HydrophobicContact SD-CB 3.82Å; M115-L262 HydrophobicContact SD-CD1 4.49Å |
| 116 | V | 93.4 | Very high | 90.1 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.1 | -49.1 | 173.4 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | P112 Q113 M114 V118 G119 C120 A259 L260 L263 | P112-V116 PolarHBondContact O-N 2.93Å; Q113-V116 PolarHBondContact O-N 3.27Å; M114-V116 VanDerWaalsContact C-N 3.34Å; M114-V116 PolarHBondContact O-N 2.93Å; V116-V118 VanDerWaalsContact C-N 3.31Å; V116-V118 PolarHBondContact O-N 2.87Å; V116-G119 PolarHBondContact O-N 3.27Å; V116-C120 VanDerWaalsContact O-CB 3.25Å; V116-C120 WeakPolarHBondContact O-CB 3.06Å; V116-C120 PolarHBondContact O-N 2.85Å; V116-C120 PolarHBondContact O-SG 3.11Å; V116-C120 VanDerWaalsContact O-SG 3.33Å; V116-A259 HydrophobicContact CB-CB 4.42Å; V116-A259 HydrophobicContact CG2-CB 3.47Å; V116-A259 VanDerWaalsContact CG2-CB 3.47Å; V116-L260 HydrophobicContact CG2-CD2 4.45Å; V116-L263 HydrophobicContact CG2-CD1 3.5Å; V116-L263 VanDerWaalsContact CG2-CD1 3.5Å |
| 117 | Y | 94.3 | Very high | 90.1 | Very high | 162 Ų | 162 | 54.6 Ų | 54.6 | 64% | 0.635 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | -176.8 | -66.3 | -48.3 | 0 | 0 | 0 | 112.5 | Q113 M114 G121 | Q113-Y117 HydrophobicContact CB-CE2 4.34Å; Q113-Y117 WeakPolarHBondContact O-CD2 3.35Å; Q113-Y117 PolarHBondContact O-N 2.91Å; Q113-Y117 VanDerWaalsContact O-N 3.1Å; M114-Y117 PolarHBondContact O-N 3.03Å; M114-Y117 HydrophobicContact SD-CD2 4.41Å; Y117-G121 PolarHBondContact O-N 3.25Å |
| 118 | V | 94.1 | Very high | 90 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.4 | -61.1 | 174.2 | 175.9 | 0 | 0 | 0 | 0 | 109.8 | Y21 V24 E25 V28 L37 M114 V116 C120 G121 G122 | Y21-V118 HydrophobicContact CE2-CG1 4.44Å; Y21-V118 VanDerWaalsContact OH-C 3.25Å; Y21-V118 WeakPolarHBondContact OH-CG1 3.16Å; Y21-V118 PolarHBondContact OH-O 2.9Å; V24-V118 HydrophobicContact CG1-CG2 4.32Å; E25-V118 HydrophobicContact CB-CG1 4.49Å; E25-V118 HydrophobicContact CG-CG1 3.77Å; V28-V118 HydrophobicContact CB-CG2 4.02Å; V28-V118 HydrophobicContact CG1-CG2 3.84Å; V28-V118 HydrophobicContact CG2-CG2 3.94Å; L37-V118 HydrophobicContact CD1-CG1 3.78Å; L37-V118 HydrophobicContact CD2-CB 4.38Å; L37-V118 HydrophobicContact CD2-CG1 4.09Å; M114-V118 WeakPolarHBondContact O-CG2 3.47Å; M114-V118 PolarHBondContact O-N 3.03Å; V116-V118 VanDerWaalsContact C-N 3.31Å; V116-V118 PolarHBondContact O-N 2.87Å; V118-C120 VanDerWaalsContact C-N 3.26Å; V118-C120 PolarHBondContact O-N 2.97Å; V118-C120 VanDerWaalsContact O-N 3.09Å; V118-G121 CarbonylContact O-C 3.57Å; V118-G121 VanDerWaalsContact O-CA 3.23Å; V118-G121 WeakPolarHBondContact O-CA 3.34Å; V118-G121 PolarHBondContact O-N 2.72Å; V118-G122 PolarHBondContact O-N 3.15Å |
| 119 | G | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.4 | -35.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | M115 V116 G122 L123 V256 | M115-G119 PolarHBondContact O-N 3.48Å; V116-G119 PolarHBondContact O-N 3.27Å; G119-G122 PolarHBondContact O-N 2.98Å; G119-L123 WeakPolarHBondContact O-CB 3.33Å; G119-L123 PolarHBondContact O-N 3.43Å; G119-V256 WeakPolarHBondContact O-CG2 3.41Å |
| 120 | C | 93.5 | Very high | 89.2 | Confident | 58 Ų | 58 | 53 Ų | 53 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.5 | -34.4 | 172.3 | -73.9 | 0 | 0 | 0 | 0 | 112.9 | V116 V118 L124 | V116-C120 VanDerWaalsContact O-CB 3.25Å; V116-C120 WeakPolarHBondContact O-CB 3.06Å; V116-C120 PolarHBondContact O-N 2.85Å; V116-C120 PolarHBondContact O-SG 3.11Å; V116-C120 VanDerWaalsContact O-SG 3.33Å; V118-C120 VanDerWaalsContact C-N 3.26Å; V118-C120 PolarHBondContact O-N 2.97Å; V118-C120 VanDerWaalsContact O-N 3.09Å; C120-L124 WeakPolarHBondContact O-CB 3.42Å; C120-L124 PolarHBondContact O-N 3.37Å; C120-L124 VanDerWaalsContact O-N 3.07Å |
| 121 | G | 92.9 | Very high | 89.4 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y117 V118 L124 V125 | Y117-G121 PolarHBondContact O-N 3.25Å; V118-G121 CarbonylContact O-C 3.57Å; V118-G121 VanDerWaalsContact O-CA 3.23Å; V118-G121 WeakPolarHBondContact O-CA 3.34Å; V118-G121 PolarHBondContact O-N 2.72Å; G121-L124 WeakPolarHBondContact O-CB 2.98Å; G121-L124 PolarHBondContact O-N 3.29Å; G121-V125 WeakPolarHBondContact O-CG2 3.49Å; G121-V125 PolarHBondContact O-N 3.43Å |
| 122 | G | 90.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y21 V118 G119 L124 V125 N126 | Y21-G122 VanDerWaalsContact OH-CA 3.26Å; Y21-G122 WeakPolarHBondContact OH-CA 3.38Å; Y21-G122 PolarHBondContact OH-N 2.99Å; V118-G122 PolarHBondContact O-N 3.15Å; G119-G122 PolarHBondContact O-N 2.98Å; G122-L124 PolarHBondContact O-N 3.29Å; G122-V125 PolarHBondContact O-N 3.33Å; G122-V125 VanDerWaalsContact O-N 3.11Å; G122-N126 WeakPolarHBondContact O-CB 3.41Å; G122-N126 VanDerWaalsContact O-CG 3.29Å; G122-N126 PolarHBondContact O-N 3.1Å; G122-N126 PolarHBondContact O-ND2 3.23Å |
| 123 | L | 90.6 | Very high | 88 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.4 | -41.7 | 171.7 | -167.3 | 75.1 | 0 | 0 | 0 | 111.8 | G119 N126 I127 F249 V253 | G119-L123 WeakPolarHBondContact O-CB 3.33Å; G119-L123 PolarHBondContact O-N 3.43Å; L123-N126 PolarHBondContact O-N 2.94Å; L123-I127 HydrophobicContact CG-CD1 4.03Å; L123-I127 WeakPolarHBondContact O-CB 3.32Å; L123-I127 WeakPolarHBondContact O-CD1 3.42Å; L123-I127 WeakPolarHBondContact O-CG1 3.06Å; L123-I127 PolarHBondContact O-N 2.92Å; L123-F249 HydrophobicContact CD1-CD2 3.8Å; L123-F249 HydrophobicContact CD1-CE2 3.59Å; L123-F249 HydrophobicContact CD1-CZ 4.38Å; L123-V253 HydrophobicContact CD1-CG2 3.59Å |
| 124 | L | 91.5 | Very high | 86.7 | Confident | 120 Ų | 120 | 48.9 Ų | 48.9 | 63% | 0.628 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.8 | -41.4 | 177.2 | -177.7 | 64.7 | 0 | 0 | 0 | 112.7 | C120 G121 G122 N126 I127 L128 | C120-L124 WeakPolarHBondContact O-CB 3.42Å; C120-L124 PolarHBondContact O-N 3.37Å; C120-L124 VanDerWaalsContact O-N 3.07Å; G121-L124 WeakPolarHBondContact O-CB 2.98Å; G121-L124 PolarHBondContact O-N 3.29Å; G122-L124 PolarHBondContact O-N 3.29Å; L124-N126 VanDerWaalsContact C-N 3.35Å; L124-I127 PolarHBondContact O-N 2.73Å; L124-L128 WeakPolarHBondContact O-CB 3.41Å; L124-L128 PolarHBondContact O-N 2.99Å |
| 125 | V | 89 | Confident | 84.9 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | Y21 G121 G122 L128 G129 | Y21-V125 HydrophobicContact CD2-CG2 4.31Å; Y21-V125 HydrophobicContact CG-CG2 4.29Å; G121-V125 WeakPolarHBondContact O-CG2 3.49Å; G121-V125 PolarHBondContact O-N 3.43Å; G122-V125 PolarHBondContact O-N 3.33Å; G122-V125 VanDerWaalsContact O-N 3.11Å; V125-L128 WeakPolarHBondContact O-CB 3.4Å; V125-L128 PolarHBondContact O-N 3.33Å; V125-G129 PolarHBondContact O-N 2.92Å |
| 126 | N | 85.8 | Confident | 82.8 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 179.6 | -68 | -25.8 | 0 | 0 | 0 | 112.2 | G122 L123 L124 G129 L130 D248 F249 S252 | G122-N126 WeakPolarHBondContact O-CB 3.41Å; G122-N126 VanDerWaalsContact O-CG 3.29Å; G122-N126 PolarHBondContact O-N 3.1Å; G122-N126 PolarHBondContact O-ND2 3.23Å; L123-N126 PolarHBondContact O-N 2.94Å; L124-N126 VanDerWaalsContact C-N 3.35Å; N126-G129 PolarHBondContact O-N 2.99Å; N126-L130 WeakPolarHBondContact O-CG 3.46Å; N126-L130 PolarHBondContact O-N 2.96Å; N126-D248 VanDerWaalsContact ND2-C 3.3Å; N126-D248 PolarHBondContact ND2-O 3.45Å; N126-D248 VanDerWaalsContact ND2-O 3.16Å; N126-F249 HydrophobicContact CB-CB 4.47Å; N126-S252 PolarHBondContact ND2-OG 3.35Å; N126-S252 VanDerWaalsContact ND2-OG 3.11Å |
| 127 | I | 87.7 | Confident | 80.2 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 35% | 0.349 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 171.1 | -71.3 | 165.5 | 0 | 0 | 0 | 111.1 | L123 L124 G129 L130 I131 F249 | L123-I127 HydrophobicContact CG-CD1 4.03Å; L123-I127 WeakPolarHBondContact O-CB 3.32Å; L123-I127 WeakPolarHBondContact O-CD1 3.42Å; L123-I127 WeakPolarHBondContact O-CG1 3.06Å; L123-I127 PolarHBondContact O-N 2.92Å; L124-I127 PolarHBondContact O-N 2.73Å; I127-G129 VanDerWaalsContact C-N 3.29Å; I127-G129 PolarHBondContact O-N 2.94Å; I127-L130 PolarHBondContact O-N 3.38Å; I127-I131 HydrophobicContact CG2-CD1 3.88Å; I127-I131 WeakPolarHBondContact O-CG1 3.42Å; I127-I131 PolarHBondContact O-N 2.98Å; I127-F249 HydrophobicContact CG1-CE2 4.39Å |
| 128 | L | 85.5 | Confident | 77.5 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 38% | 0.382 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 174.7 | -177.7 | 62.6 | 0 | 0 | 0 | 110.9 | M14 L17 L124 V125 I131 V132 | M14-L128 HydrophobicContact CE-CD2 4.44Å; M14-L128 HydrophobicContact CE-CG 4.33Å; L17-L128 HydrophobicContact CD1-CD2 4.24Å; L124-L128 WeakPolarHBondContact O-CB 3.41Å; L124-L128 PolarHBondContact O-N 2.99Å; V125-L128 WeakPolarHBondContact O-CB 3.4Å; V125-L128 PolarHBondContact O-N 3.33Å; L128-I131 PolarHBondContact O-N 2.82Å; L128-V132 HydrophobicContact CD1-CG2 4.08Å; L128-V132 HydrophobicContact CG-CG2 4.32Å; L128-V132 VanDerWaalsContact O-CB 3.31Å; L128-V132 WeakPolarHBondContact O-CB 3.44Å; L128-V132 VanDerWaalsContact O-CG2 3.23Å; L128-V132 WeakPolarHBondContact O-CG2 3.46Å; L128-V132 PolarHBondContact O-N 3.49Å |
| 129 | G | 79.5 | Confident | 74.7 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 7% | 0.072 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.2 | -50.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M14 V125 N126 I127 I131 V132 L133 | M14-G129 VanDerWaalsContact SD-CA 3.53Å; V125-G129 PolarHBondContact O-N 2.92Å; N126-G129 PolarHBondContact O-N 2.99Å; I127-G129 VanDerWaalsContact C-N 3.29Å; I127-G129 PolarHBondContact O-N 2.94Å; G129-I131 VanDerWaalsContact C-N 3.34Å; G129-I131 PolarHBondContact O-N 3.32Å; G129-V132 PolarHBondContact O-N 3.29Å; G129-L133 WeakPolarHBondContact O-CB 3.48Å; G129-L133 VanDerWaalsContact O-CG 3.32Å; G129-L133 WeakPolarHBondContact O-CG 3.31Å; G129-L133 PolarHBondContact O-N 3.33Å |
| 130 | L | 79.3 | Confident | 71.9 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 34% | 0.335 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 176.6 | -71.5 | 171.6 | 0 | 0 | 0 | 112.6 | N126 I127 G134 V245 | N126-L130 WeakPolarHBondContact O-CG 3.46Å; N126-L130 PolarHBondContact O-N 2.96Å; I127-L130 PolarHBondContact O-N 3.38Å; L130-G134 WeakPolarHBondContact O-CA 3.35Å; L130-G134 PolarHBondContact O-N 2.98Å; L130-V245 HydrophobicContact CD2-CB 4.29Å; L130-V245 HydrophobicContact CD2-CG1 3.52Å; L130-V245 HydrophobicContact CG-CG1 3.62Å |
| 131 | I | 83.3 | Confident | 69.1 | Low | 109 Ų | 109 | 73.6 Ų | 73.6 | 56% | 0.559 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.4 | -44.3 | 176.7 | -66 | 165.7 | 0 | 0 | 0 | 110.7 | I127 L128 G129 L133 G134 G135 | I127-I131 HydrophobicContact CG2-CD1 3.88Å; I127-I131 WeakPolarHBondContact O-CG1 3.42Å; I127-I131 PolarHBondContact O-N 2.98Å; L128-I131 PolarHBondContact O-N 2.82Å; G129-I131 VanDerWaalsContact C-N 3.34Å; G129-I131 PolarHBondContact O-N 3.32Å; I131-L133 VanDerWaalsContact C-N 3.27Å; I131-L133 PolarHBondContact O-N 3.27Å; I131-G134 PolarHBondContact O-N 3.41Å; I131-G135 PolarHBondContact O-N 3.49Å |
| 132 | V | 77.1 | Confident | 66.7 | Low | 28 Ų | 28 | 81.7 Ų | 81.7 | 17% | 0.17 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -69.5 | -22.5 | -179.9 | 172 | 0 | 0 | 0 | 0 | 112.3 | R10 M14 L128 G129 | R10-V132 HydrophobicContact CB-CG1 4.01Å; R10-V132 HydrophobicContact CG-CG1 4.14Å; R10-V132 VanDerWaalsContact CZ-O 3.25Å; R10-V132 PolarHBondContact NE-O 3.37Å; R10-V132 VanDerWaalsContact NE-O 3.07Å; R10-V132 PolarHBondContact NH2-O 2.99Å; M14-V132 HydrophobicContact CE-CB 4.22Å; M14-V132 HydrophobicContact CE-CG1 4.13Å; M14-V132 HydrophobicContact CE-CG2 4.02Å; M14-V132 HydrophobicContact CG-CB 4.41Å; M14-V132 HydrophobicContact CG-CG1 3.92Å; M14-V132 HydrophobicContact SD-CB 4.01Å; M14-V132 HydrophobicContact SD-CG1 4.11Å; M14-V132 HydrophobicContact SD-CG2 4.38Å; L128-V132 HydrophobicContact CD1-CG2 4.08Å; L128-V132 HydrophobicContact CG-CG2 4.32Å; L128-V132 VanDerWaalsContact O-CB 3.31Å; L128-V132 WeakPolarHBondContact O-CB 3.44Å; L128-V132 VanDerWaalsContact O-CG2 3.23Å; L128-V132 WeakPolarHBondContact O-CG2 3.46Å; L128-V132 PolarHBondContact O-N 3.49Å; G129-V132 PolarHBondContact O-N 3.29Å |
| 133 | L | 68.6 | Low | 64.1 | Low | 66 Ų | 66 | 85.5 Ų | 85.5 | 35% | 0.346 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -90.9 | -41.3 | 172 | -68.3 | 168.3 | 0 | 0 | 0 | 112.8 | L11 G129 I131 V241 V245 | L11-L133 HydrophobicContact CD2-CD2 3.85Å; G129-L133 WeakPolarHBondContact O-CB 3.48Å; G129-L133 VanDerWaalsContact O-CG 3.32Å; G129-L133 WeakPolarHBondContact O-CG 3.31Å; G129-L133 PolarHBondContact O-N 3.33Å; I131-L133 VanDerWaalsContact C-N 3.27Å; I131-L133 PolarHBondContact O-N 3.27Å; L133-V241 HydrophobicContact CD1-CG1 3.9Å; L133-V241 HydrophobicContact CD2-CG1 4.43Å; L133-V245 HydrophobicContact CD1-CG2 3.88Å |
| 134 | G | 65.3 | Low | 61.7 | Low | 50 Ų | 50 | 86.9 Ų | 86.9 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -79.5 | -17.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L130 I131 H136 | L130-G134 WeakPolarHBondContact O-CA 3.35Å; L130-G134 PolarHBondContact O-N 2.98Å; I131-G134 PolarHBondContact O-N 3.41Å; G134-H136 PolarHBondContact O-N 2.92Å |
| 135 | G | 55.5 | Low | 59.1 | Low | 51 Ų | 51 | 88.6 Ų | 88.6 | 53% | 0.526 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 50.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I131 | I131-G135 PolarHBondContact O-N 3.49Š|
| 136 | H | 47.8 | Very low | 56.7 | Low | 119 Ų | 119 | 95.1 Ų | 95.1 | 55% | 0.551 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.5 | 15.8 | 179.7 | -98.4 | 126.8 | 0 | 0 | 0 | 114.3 | N7 R10 G134 | N7-H136 PolarHBondContact OD1-CE1 3.15Å; R10-H136 PolarHBondContact NH1-CE1 3.46Å; G134-H136 PolarHBondContact O-N 2.92Å |
| 137 | S | 39 | Very low | 54.3 | Low | 95 Ų | 95 | 100.7 Ų | 100.7 | 66% | 0.664 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -127.1 | 7.2 | -172.3 | -58.6 | 0 | 0 | 0 | 0 | 116.4 | ||
| 138 | H | 37.9 | Very low | 51.9 | Low | 190 Ų | 190 | 102.2 Ų | 102.2 | 88% | 0.88 | 64% | 0.641 | S | S | * | * | trans | -140.6 | 80.2 | 179.2 | -72.6 | -68.6 | 0 | 0 | 0 | 113.5 | ||||
| 139 | E | 35.6 | Very low | 49.4 | Very low | 203 Ų | 203 | 105 Ų | 105 | 95% | 0.949 | 66% | 0.661 | S | S | * | * | trans | -112.6 | 115 | 155.9 | -82.3 | -171.3 | 101.7 | 0 | 0 | 110.1 | ||||
| 140 | G | 34.5 | Very low | 47.2 | Very low | 81 Ų | 81 | 112.8 Ų | 112.8 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | trans | 49.3 | 97.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 141 | S | 35.3 | Very low | 44.8 | Very low | 124 Ų | 124 | 114.2 Ų | 114.2 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | -161.9 | 131.4 | 123.4 | -160.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 142 | H | 42.1 | Very low | 42.3 | Very low | 195 Ų | 195 | 114.6 Ų | 114.6 | 90% | 0.903 | 73% | 0.734 | S | S | * | * | trans | -99.6 | 135.1 | 172.3 | -74.5 | -96.6 | 0 | 0 | 0 | 110.3 | ||||
| 143 | G | 36.3 | Very low | 39.9 | Very low | 80 Ų | 80 | 121.1 Ų | 121.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 154.2 | 118.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 144 | G | 39 | Very low | 38.1 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | 69.3 | 104.2 | 169 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 145 | I | 37.7 | Very low | 36.4 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | 43.5 | 93.9 | 66.2 | -48.2 | -178.8 | 0 | 0 | 0 | 112.1 | |||||
| 146 | D | 38.4 | Very low | 35.3 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | -159.3 | 150.6 | 120.4 | -99.3 | -25.8 | 0 | 0 | 0 | 111.1 | |||||
| 147 | S | 35.6 | Very low | 34.6 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -90.5 | 131.9 | -160.6 | -57.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 148 | A | 37 | Very low | 34 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | trans | -152.1 | 114 | 150.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 149 | V | 33 | Very low | 33.6 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 80% | 0.8 | 83% | 0.833 | S | S | * | * | trans | -91.5 | 130.2 | 174.4 | 173.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 150 | D | 32.2 | Very low | 33.1 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -151.8 | 120.1 | 147.2 | -101.5 | -34.2 | 0 | 0 | 0 | 109.7 | ||||
| 151 | A | 30 | Very low | 33 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | trans | -110.8 | 122.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 152 | S | 30 | Very low | 32.7 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -135.9 | 78.5 | 172.3 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 153 | L | 27.8 | Very low | 32 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -84.4 | 123.5 | 160 | -80.2 | 161 | 0 | 0 | 0 | 108.9 | ||||
| 154 | T | 30.4 | Very low | 31.7 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -164.8 | 116.6 | 154.3 | 18.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 155 | P | 29.9 | Very low | 31.4 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -108.2 | 115.4 | 165.6 | 34.2 | -23.9 | 0 | 0 | 0 | 111.2 | ||||
| 156 | T | 32.7 | Very low | 31.1 | Very low | 130 Ų | 130 | 133 Ų | 133 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | trans | -147.2 | 121.9 | 167.3 | 44.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 157 | A | 32.4 | Very low | 30.9 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | 113.2 | 142.5 | 53.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 158 | F | 26.1 | Very low | 30.6 | Very low | 211 Ų | 211 | 132.2 Ų | 132.2 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -54.5 | 141.9 | -172.5 | -124.7 | -113.2 | 0 | 0 | 0 | 114 | ||||
| 159 | G | 29.8 | Very low | 30.4 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | -166.9 | 96.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 160 | T | 25.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -78.7 | 127.4 | 179.9 | -44.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 161 | T | 32.6 | Very low | 30.1 | Very low | 142 Ų | 142 | 135 Ų | 135 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | trans | -158.4 | 164.7 | 151.3 | 16 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 162 | L | 27.7 | Very low | 29.9 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -80.5 | 165.2 | -162.3 | -76.9 | 158.5 | 0 | 0 | 0 | 115.1 | ||||
| 163 | P | 28.3 | Very low | 29.7 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | trans | -86.5 | 154.1 | -165.4 | 34.9 | -36.5 | 0 | 0 | 0 | 114.2 | ||||
| 164 | L | 30 | Very low | 29.8 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -133.4 | 125 | 169.5 | -137.7 | 82.5 | 0 | 0 | 0 | 112.7 | ||||
| 165 | S | 33 | Very low | 29.5 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | trans | 14.5 | 121.2 | 152.4 | 59.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 166 | N | 31.5 | Very low | 29.5 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | 58.3 | 144.5 | 138.6 | -83.2 | 11.8 | 0 | 0 | 0 | 123.2 | ||||
| 167 | P | 33.7 | Very low | 29.3 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | trans | -99.2 | 155.4 | -178.1 | 40.2 | -34.1 | 0 | 0 | 0 | 113.5 | ||||
| 168 | D | 28.3 | Very low | 29.3 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -165.9 | 179.4 | 145.6 | -92.2 | -37.4 | 0 | 0 | 0 | 107.1 | ||||
| 169 | E | 34.3 | Very low | 29.3 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 78.8 | 83.1 | -167.5 | -54.9 | -66.7 | 137.1 | 0 | 0 | 113.8 | ||||
| 170 | A | 27.8 | Very low | 29.4 | Very low | 82 Ų | 82 | 144.3 Ų | 144.3 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | 73.1 | 105 | 78.9 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 171 | F | 29.4 | Very low | 29.5 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | trans | -146.6 | 110.3 | 153.7 | -129.8 | -86.7 | 0 | 0 | 0 | 113.7 | ||||
| 172 | L | 27.5 | Very low | 29.3 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | 9.9 | 124 | 159.1 | -72 | 154.7 | 0 | 0 | 0 | 120.6 | ||||
| 173 | Q | 25.4 | Very low | 29.5 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -67 | 143.2 | 164.1 | -61.8 | 173.2 | -42.9 | 0 | 0 | 112.2 | ||||
| 174 | V | 29.3 | Very low | 29.5 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -128.2 | 114.9 | 153.7 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 175 | N | 24.3 | Very low | 29.5 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -94.2 | 128.9 | -176.9 | -165.9 | 11.3 | 0 | 0 | 0 | 110 | ||||
| 176 | S | 29.9 | Very low | 29.4 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -156.1 | 89.1 | 171.3 | -89.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 177 | T | 28.4 | Very low | 29.3 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -69.8 | 133.7 | 166.1 | 45 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 178 | Q | 31.7 | Very low | 29.1 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -173.9 | 132.9 | 132.4 | -104.9 | 172.3 | 24.3 | 0 | 0 | 110.6 | ||||
| 179 | P | 27.6 | Very low | 29.2 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 139.5 | -178.9 | 33.5 | -33.3 | 0 | 0 | 0 | 111.6 | ||
| 180 | I | 31.3 | Very low | 29 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 124.2 | 170.6 | -63.4 | 179.7 | 0 | 0 | 0 | 109.6 | ||
| 181 | S | 28.4 | Very low | 29.2 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 143.9 | -176.8 | -45.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 182 | G | 27.8 | Very low | 29.5 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | trans | 79.6 | 82.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 183 | V | 32.5 | Very low | 29.8 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 70% | 0.697 | 76% | 0.764 | S | S | * | * | trans | -138.8 | 103.9 | 149.9 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | N185 | V183-N185 HydrophobicContact CG1-CB 4.18Å; V183-N185 VanDerWaalsContact CG1-CG 3.48Å; V183-N185 PolarHBondContact O-N 3.12Å | ||
| 184 | N | 26.6 | Very low | 30.4 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | trans | -83.9 | 95 | 166.8 | -73.4 | -18 | 0 | 0 | 0 | 108.8 | ||||
| 185 | N | 31.1 | Very low | 30.6 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | -112.3 | 104.6 | 172.8 | -82.5 | -1.7 | 0 | 0 | 0 | 111.3 | V183 | V183-N185 HydrophobicContact CG1-CB 4.18Å; V183-N185 VanDerWaalsContact CG1-CG 3.48Å; V183-N185 PolarHBondContact O-N 3.12Å | ||
| 186 | V | 30.8 | Very low | 31.1 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | trans | -58.6 | 143.2 | 165.6 | 172.1 | 0 | 0 | 0 | 0 | 109.7 | D188 | V186-D188 PolarHBondContact O-N 3.21Š| ||
| 187 | Y | 28.8 | Very low | 31.1 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | trans | -81 | 92 | 174.1 | -80.1 | -96.2 | 0 | 0 | 0 | 110.6 | K368 | Y187-K368 WeakPolarHBondContact OH-CE 3.36Å; Y187-K368 PolarHBondContact OH-NZ 2.87Å | ||
| 188 | D | 29.4 | Very low | 31.2 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | -83.6 | 128.9 | 161.1 | -100.6 | -39.1 | 0 | 0 | 0 | 111 | V186 V190 | V186-D188 PolarHBondContact O-N 3.21Å; D188-V190 HydrophobicContact CB-CG2 4.3Å; D188-V190 PolarHBondContact O-N 3.4Å | ||
| 189 | I | 30.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | -82.9 | 82.5 | -179.5 | -57.5 | 173 | 0 | 0 | 0 | 108 | ||||
| 190 | V | 31.8 | Very low | 31.3 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 56% | 0.564 | 73% | 0.725 | S | S | * | * | trans | -84 | 124.1 | -179.2 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | D188 | D188-V190 HydrophobicContact CB-CG2 4.3Å; D188-V190 PolarHBondContact O-N 3.4Å | ||
| 191 | D | 31.3 | Very low | 31.2 | Very low | 101 Ų | 101 | 134 Ų | 134 | 54% | 0.54 | 73% | 0.726 | S | S | . | * | trans | -66.1 | 143.3 | 177.9 | -91.9 | -44 | 0 | 0 | 0 | 113.6 | N193 T194 | D191-N193 PolarHBondContact O-N 2.9Å; D191-T194 PolarHBondContact O-N 2.89Å | ||
| 192 | G | 34.9 | Very low | 31.4 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 6.7 | -174 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 193 | N | 35.1 | Very low | 31.5 | Very low | 161 Ų | 161 | 143 Ų | 143 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -10.2 | 177.7 | -73.3 | -15.5 | 0 | 0 | 0 | 113.6 | D191 | D191-N193 PolarHBondContact O-N 2.9Š|
| 194 | T | 36.8 | Very low | 31.3 | Very low | 70 Ų | 70 | 145.1 Ų | 145.1 | 43% | 0.429 | 74% | 0.737 | S | S | . | * | S | Bend | trans | -96.2 | -23.2 | -175.9 | -50 | 0 | 0 | 0 | 0 | 113 | D191 Q196 R197 F198 | D191-T194 PolarHBondContact O-N 2.89Å; T194-Q196 PolarHBondContact O-N 3.05Å; T194-R197 PolarHBondContact O-N 3.44Å; T194-F198 HydrophobicContact CG2-CD2 4.36Å; T194-F198 HydrophobicContact CG2-CE2 3.93Å |
| 195 | L | 33.6 | Very low | 31.4 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 13.3 | -171.2 | -139.3 | 130.8 | 0 | 0 | 0 | 115 | ||
| 196 | Q | 34.3 | Very low | 31.3 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 17.3 | 178.7 | -138.8 | 175.5 | -43.3 | 0 | 0 | 113.1 | T194 | T194-Q196 PolarHBondContact O-N 3.05Š|
| 197 | R | 29.8 | Very low | 31.2 | Very low | 228 Ų | 228 | 149.2 Ų | 149.2 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -124 | 2 | 173 | -106.5 | -175.8 | -179.7 | 170.8 | 0.5 | 114.8 | T194 | T194-R197 PolarHBondContact O-N 3.44Š|
| 198 | F | 31.8 | Very low | 31.3 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -109.6 | -1.5 | 178.7 | -77.1 | -77.7 | 0 | 0 | 0 | 113.9 | T194 | T194-F198 HydrophobicContact CG2-CD2 4.36Å; T194-F198 HydrophobicContact CG2-CE2 3.93Å |
| 199 | T | 33.1 | Very low | 31.3 | Very low | 93 Ų | 93 | 147.7 Ų | 147.7 | 57% | 0.571 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -81.6 | 136.5 | 150.9 | 51 | 0 | 0 | 0 | 0 | 107.4 | ||
| 200 | D | 27.8 | Very low | 31.5 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 82.1 | 61.2 | 180 | -42.5 | -24.5 | 0 | 0 | 0 | 116.7 | ||
| 201 | K | 30.2 | Very low | 31.7 | Very low | 204 Ų | 204 | 151 Ų | 151 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -170 | -24.2 | 136.3 | -111.2 | 167 | -174.9 | -177 | 0 | 121.6 | ||
| 202 | E | 32.5 | Very low | 31.7 | Very low | 184 Ų | 184 | 152.9 Ų | 152.9 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -118.4 | 81.5 | -169.3 | -70.7 | 177.1 | 125.6 | 0 | 0 | 112.9 | ||||
| 203 | Q | 29.6 | Very low | 31.7 | Very low | 193 Ų | 193 | 155.5 Ų | 155.5 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -131.8 | 23.2 | 172.2 | -151.1 | 175.8 | -3.2 | 0 | 0 | 112.5 | ||||
| 204 | Q | 28.4 | Very low | 31.7 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -130.5 | 144 | 177.4 | -148.2 | 86.9 | 16.8 | 0 | 0 | 107.7 | ||
| 205 | D | 28.2 | Very low | 31.5 | Very low | 135 Ų | 135 | 155.1 Ų | 155.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 67.1 | 92.4 | 166.3 | -46.8 | -28.7 | 0 | 0 | 0 | 117.6 | ||||
| 206 | N | 29.3 | Very low | 31.5 | Very low | 169 Ų | 169 | 156.7 Ų | 156.7 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | 172.3 | 83.1 | 131.4 | -87.2 | -39 | 0 | 0 | 0 | 112 | ||||
| 207 | F | 28.1 | Very low | 31.5 | Very low | 208 Ų | 208 | 157.9 Ų | 157.9 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | trans | -147.7 | 67.8 | 158.7 | -157.5 | -96.1 | 0 | 0 | 0 | 111.7 | ||||
| 208 | E | 30.4 | Very low | 31.3 | Very low | 192 Ų | 192 | 157.2 Ų | 157.2 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -112 | 148 | 157.8 | -68.1 | -174.1 | 116 | 0 | 0 | 107.6 | ||||
| 209 | A | 29.8 | Very low | 31.2 | Very low | 78 Ų | 78 | 154.8 Ų | 154.8 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | cis | -161.9 | 148.5 | -18.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 210 | S | 35.7 | Very low | 31 | Very low | 129 Ų | 129 | 155.2 Ų | 155.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -161.3 | 131.2 | 156.5 | -83.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 211 | Q | 36.2 | Very low | 31 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -97.9 | 165.3 | -161.4 | -61.9 | -174.7 | 2 | 0 | 0 | 113.8 | ||||
| 212 | L | 31.1 | Very low | 30.9 | Very low | 142 Ų | 142 | 153 Ų | 153 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | 14.5 | 139.6 | 149.1 | -81.8 | 65.5 | 0 | 0 | 0 | 118.6 | ||||
| 213 | D | 34.5 | Very low | 31 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | cis | -159.4 | -170.2 | 13 | -130.8 | -14.2 | 0 | 0 | 0 | 109.2 | ||||
| 214 | T | 34.9 | Very low | 30.9 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 63% | 0.632 | 78% | 0.779 | S | S | * | * | cis | -149.5 | 160.6 | 15 | -12.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 215 | N | 33 | Very low | 31.3 | Very low | 121 Ų | 121 | 149 Ų | 149 | 65% | 0.647 | 78% | 0.775 | S | S | * | * | trans | 61.4 | 104.5 | 149.1 | -75.4 | -39 | 0 | 0 | 0 | 122.3 | ||||
| 216 | Q | 33.6 | Very low | 31.4 | Very low | 175 Ų | 175 | 150 Ų | 150 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | 63.6 | 98.7 | 127 | -59 | -178 | 13.2 | 0 | 0 | 120 | |||||
| 217 | Q | 33.3 | Very low | 31.9 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | -163.2 | 111.8 | 101.8 | -163.2 | 147.7 | -3.5 | 0 | 0 | 111.3 | V219 | Q217-V219 PolarHBondContact O-N 3.48Š| |||
| 218 | K | 26.3 | Very low | 32.3 | Very low | 214 Ų | 214 | 144.6 Ų | 144.6 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | trans | -80 | 105.5 | 176.9 | -85.7 | -175.4 | 174.6 | 177.5 | 0 | 111 | ||||
| 219 | V | 29.2 | Very low | 32.3 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -104.8 | 107.8 | 162.8 | -177 | 0 | 0 | 0 | 0 | 108.8 | Q217 V221 | Q217-V219 PolarHBondContact O-N 3.48Å; V219-V221 HydrophobicContact CG1-CG2 4.14Å; V219-V221 PolarHBondContact O-N 2.79Å; V219-V221 VanDerWaalsContact O-N 3.12Å | ||
| 220 | A | 28.9 | Very low | 32.5 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -81.6 | 87.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K222 | A220-K222 PolarHBondContact O-N 2.88Š| ||
| 221 | V | 28.9 | Very low | 32.3 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 70% | 0.697 | 76% | 0.764 | S | S | * | * | trans | -75.1 | 104.6 | 174 | -178.1 | 0 | 0 | 0 | 0 | 110 | V219 I223 | V219-V221 HydrophobicContact CG1-CG2 4.14Å; V219-V221 PolarHBondContact O-N 2.79Å; V219-V221 VanDerWaalsContact O-N 3.12Å; V221-I223 HydrophobicContact CG1-CG1 3.96Å; V221-I223 PolarHBondContact O-N 3.37Å | ||
| 222 | K | 28 | Very low | 32.2 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -80.5 | 81.9 | 178.5 | -165.4 | 176.3 | -171.6 | 175.1 | 0 | 110.4 | A220 K224 | A220-K222 PolarHBondContact O-N 2.88Å; K222-K224 PolarHBondContact O-N 3.28Å | ||
| 223 | I | 32.9 | Very low | 32.4 | Very low | 117 Ų | 117 | 151.2 Ų | 151.2 | 60% | 0.6 | 76% | 0.761 | S | S | * | * | trans | -65.1 | 104.5 | 177.8 | -57.6 | -177.8 | 0 | 0 | 0 | 109.5 | V221 H225 | V221-I223 HydrophobicContact CG1-CG1 3.96Å; V221-I223 PolarHBondContact O-N 3.37Å; I223-H225 PolarHBondContact O-N 2.85Å; I223-H225 VanDerWaalsContact O-N 3.16Å | ||
| 224 | K | 28.5 | Very low | 32.5 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -73.3 | 98.3 | 165.2 | -81 | -175 | 173.8 | -178 | 0 | 108.4 | K222 N226 | K222-K224 PolarHBondContact O-N 3.28Å; K224-N226 PolarHBondContact O-N 3.41Å | ||
| 225 | H | 37.6 | Very low | 33.2 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | trans | -66.6 | 99.4 | 164.8 | -69.7 | -70.3 | 0 | 0 | 0 | 109.2 | I223 H227 | I223-H225 PolarHBondContact O-N 2.85Å; I223-H225 VanDerWaalsContact O-N 3.16Å; H225-H227 VanDerWaalsContact C-N 3.3Å; H225-H227 PolarHBondContact O-N 3.32Å | ||
| 226 | N | 30 | Very low | 34.1 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | -73.2 | 90.4 | 169.7 | -165.9 | 20.9 | 0 | 0 | 0 | 107.9 | K224 S228 | K224-N226 PolarHBondContact O-N 3.41Å; N226-S228 VanDerWaalsContact C-N 3.27Å; N226-S228 PolarHBondContact O-N 2.97Å | ||
| 227 | H | 39 | Very low | 35 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 75% | 0.75 | 70% | 0.701 | S | S | * | * | trans | -65.3 | 91.5 | 172.6 | -74.2 | -79.1 | 0 | 0 | 0 | 108.8 | H225 K229 | H225-H227 VanDerWaalsContact C-N 3.3Å; H225-H227 PolarHBondContact O-N 3.32Å; H227-K229 PolarHBondContact O-N 3.03Å | ||
| 228 | S | 36.3 | Very low | 36.1 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | trans | -49.9 | 117.7 | 162.4 | -178.6 | 0 | 0 | 0 | 0 | 107.2 | N226 K230 | N226-S228 VanDerWaalsContact C-N 3.27Å; N226-S228 PolarHBondContact O-N 2.97Å; S228-K230 PolarHBondContact O-N 2.8Å | ||
| 229 | K | 30.6 | Very low | 37.7 | Very low | 202 Ų | 202 | 130 Ų | 130 | 88% | 0.878 | 67% | 0.671 | S | S | * | * | trans | -59.4 | 99.9 | -176.6 | -72.8 | -179.6 | 177.8 | 177.9 | 0 | 107.5 | H227 S231 | H227-K229 PolarHBondContact O-N 3.03Å; K229-S231 PolarHBondContact O-N 3.05Å | ||
| 230 | K | 34.1 | Very low | 39.3 | Very low | 197 Ų | 197 | 127.1 Ų | 127.1 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | trans | -61.3 | 96.8 | 167.5 | -78.2 | -169.2 | 176.2 | -175.3 | 0 | 106.4 | S228 H232 | S228-K230 PolarHBondContact O-N 2.8Å; K230-H232 VanDerWaalsContact C-N 3.31Å; K230-H232 PolarHBondContact O-N 3.32Å | ||
| 231 | S | 31.5 | Very low | 41.2 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 63% | 0.628 | S | S | * | * | trans | -53.3 | 103.8 | 164 | 175 | 0 | 0 | 0 | 0 | 105.9 | K229 R233 | K229-S231 PolarHBondContact O-N 3.05Å; S231-R233 PolarHBondContact O-N 3.15Å | ||
| 232 | H | 34 | Very low | 43.1 | Very low | 177 Ų | 177 | 124 Ų | 124 | 82% | 0.819 | 62% | 0.621 | S | S | * | * | trans | -73.4 | 79.7 | 178.4 | -164.1 | -62.6 | 0 | 0 | 0 | 105.9 | K230 G234 | K230-H232 VanDerWaalsContact C-N 3.31Å; K230-H232 PolarHBondContact O-N 3.32Å; H232-G234 PolarHBondContact O-N 2.95Å | ||
| 233 | R | 35 | Very low | 45.1 | Very low | 176 Ų | 176 | 118.2 Ų | 118.2 | 66% | 0.664 | 60% | 0.598 | S | S | * | * | trans | -43.6 | 112.8 | 173.1 | -98 | -176 | 166.5 | 173.5 | -1.4 | 105.9 | S231 S235 E314 | S231-R233 PolarHBondContact O-N 3.15Å; R233-S235 PolarHBondContact O-N 3.34Å; R233-E314 IonicContact CZ-OE1 3.27Å; R233-E314 IonicContact NH1-OE1 2.72Å; R233-E314 PolarHBondContact NH1-OE1 3.2Å; R233-E314 IonicContact NH2-OE1 2.72Å; R233-E314 PolarHBondContact NH2-OE1 3.39Å | ||
| 234 | G | 37.1 | Very low | 47.1 | Very low | 45 Ų | 45 | 114 Ų | 114 | 46% | 0.464 | 58% | 0.576 | S | S | . | * | trans | -52.4 | 143.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | H232 M236 | H232-G234 PolarHBondContact O-N 2.95Å; G234-M236 PolarHBondContact O-N 3.45Å | ||
| 235 | S | 50.1 | Low | 49.3 | Very low | 44 Ų | 44 | 105.3 Ų | 105.3 | 31% | 0.308 | 54% | 0.539 | S | S | . | . | trans | -51.4 | 139.3 | 173.9 | 49.6 | 0 | 0 | 0 | 0 | 108.6 | R233 N237 M238 Q239 | R233-S235 PolarHBondContact O-N 3.34Å; S235-N237 PolarHBondContact O-N 3.39Å; S235-M238 PolarHBondContact O-N 3.14Å; S235-M238 WeakPolarHBondContact OG-CG 3.43Å; S235-Q239 PolarHBondContact O-N 3.38Å | ||
| 236 | M | 50.8 | Low | 51.3 | Low | 75 Ų | 75 | 102 Ų | 102 | 37% | 0.369 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -52.9 | -30.7 | -173.8 | -85.1 | 175.5 | 37.6 | 0 | 0 | 112.2 | G234 M238 Q239 A240 S343 | G234-M236 PolarHBondContact O-N 3.45Å; M236-M238 PolarHBondContact O-N 3.35Å; M236-Q239 PolarHBondContact O-N 2.94Å; M236-A240 WeakPolarHBondContact O-CB 3.42Å; M236-A240 PolarHBondContact O-N 3.31Å; M236-S343 VanDerWaalsContact SD-CB 3.56Å; M236-S343 PolarHBondContact SD-OG 3.17Å |
| 237 | N | 52 | Low | 53.7 | Low | 71 Ų | 71 | 95.5 Ų | 95.5 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 173.6 | -56.6 | 10.6 | 0 | 0 | 0 | 113.6 | S235 A240 V241 | S235-N237 PolarHBondContact O-N 3.39Å; N237-A240 PolarHBondContact O-N 3.2Å; N237-V241 WeakPolarHBondContact O-CG2 3.35Å; N237-V241 PolarHBondContact O-N 2.7Å |
| 238 | M | 56.9 | Low | 55.9 | Low | 124 Ų | 124 | 87.9 Ų | 87.9 | 61% | 0.611 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -73.4 | -37.9 | 178 | -67.9 | -65.7 | 159.7 | 0 | 0 | 111.8 | S235 M236 A240 F242 | S235-M238 PolarHBondContact O-N 3.14Å; S235-M238 WeakPolarHBondContact OG-CG 3.43Å; M236-M238 PolarHBondContact O-N 3.35Å; M238-A240 VanDerWaalsContact C-N 3.32Å; M238-F242 PolarHBondContact O-N 3.29Å |
| 239 | Q | 60.2 | Low | 58.3 | Low | 117 Ų | 117 | 85.9 Ų | 85.9 | 55% | 0.547 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 172.3 | -174.1 | 173.7 | 7.5 | 0 | 0 | 111.2 | S235 M236 F242 L243 | S235-Q239 PolarHBondContact O-N 3.38Å; M236-Q239 PolarHBondContact O-N 2.94Å; Q239-F242 PolarHBondContact O-N 2.88Å; Q239-L243 HydrophobicContact CG-CD1 3.98Å; Q239-L243 HydrophobicContact CG-CG 4.45Å; Q239-L243 WeakPolarHBondContact O-CB 3.28Å; Q239-L243 VanDerWaalsContact O-CG 3.32Å; Q239-L243 WeakPolarHBondContact O-CG 3.5Å; Q239-L243 PolarHBondContact O-N 3.04Å |
| 240 | A | 63.3 | Low | 61 | Low | 54 Ų | 54 | 79.3 Ų | 79.3 | 45% | 0.446 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.2 | -48.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M236 N237 M238 F242 L243 H244 | M236-A240 WeakPolarHBondContact O-CB 3.42Å; M236-A240 PolarHBondContact O-N 3.31Å; N237-A240 PolarHBondContact O-N 3.2Å; M238-A240 VanDerWaalsContact C-N 3.32Å; A240-F242 VanDerWaalsContact C-N 3.33Å; A240-F242 PolarHBondContact O-N 3.08Å; A240-L243 PolarHBondContact O-N 3Å; A240-H244 WeakPolarHBondContact O-CB 3.39Å; A240-H244 PolarHBondContact O-N 3.35Å |
| 241 | V | 67.9 | Low | 63.7 | Low | 31 Ų | 31 | 70 Ų | 70 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | L51 L133 N237 V245 | L51-V241 HydrophobicContact CD2-CG2 4.23Å; L133-V241 HydrophobicContact CD1-CG1 3.9Å; L133-V241 HydrophobicContact CD2-CG1 4.43Å; N237-V241 WeakPolarHBondContact O-CG2 3.35Å; N237-V241 PolarHBondContact O-N 2.7Å; V241-V245 WeakPolarHBondContact O-CG2 3.42Å; V241-V245 PolarHBondContact O-N 3.29Å; V241-V245 VanDerWaalsContact O-N 3.12Å |
| 242 | F | 68.7 | Low | 66.5 | Low | 122 Ų | 122 | 65.1 Ų | 65.1 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 176.6 | 177.7 | -96.7 | 0 | 0 | 0 | 112.8 | M238 Q239 A240 L246 | M238-F242 PolarHBondContact O-N 3.29Å; Q239-F242 PolarHBondContact O-N 2.88Å; A240-F242 VanDerWaalsContact C-N 3.33Å; A240-F242 PolarHBondContact O-N 3.08Å; F242-L246 HydrophobicContact CE1-CD2 4.23Å; F242-L246 WeakPolarHBondContact O-CB 3.48Å; F242-L246 PolarHBondContact O-N 3.46Å |
| 243 | L | 71.3 | Confident | 69.3 | Low | 71 Ų | 71 | 58.8 Ų | 58.8 | 37% | 0.372 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 178.4 | -75.5 | 170.5 | 0 | 0 | 0 | 112.5 | Q239 A240 A247 | Q239-L243 HydrophobicContact CG-CD1 3.98Å; Q239-L243 HydrophobicContact CG-CG 4.45Å; Q239-L243 WeakPolarHBondContact O-CB 3.28Å; Q239-L243 VanDerWaalsContact O-CG 3.32Å; Q239-L243 WeakPolarHBondContact O-CG 3.5Å; Q239-L243 PolarHBondContact O-N 3.04Å; A240-L243 PolarHBondContact O-N 3Å; L243-A247 WeakPolarHBondContact O-CB 3.45Å; L243-A247 PolarHBondContact O-N 2.99Å |
| 244 | H | 74.5 | Confident | 72.1 | Confident | 27 Ų | 27 | 51 Ų | 51 | 13% | 0.125 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -56.6 | 172.9 | 153.6 | 44.5 | 0 | 0 | 0 | 111.4 | D47 A240 L246 A247 D248 | D47-H244 WeakPolarHBondContact CB-CE1 3.17Å; D47-H244 WeakPolarHBondContact CB-ND1 3.17Å; D47-H244 IonicContact OD2-CE1 3.35Å; D47-H244 IonicContact OD2-CG 3.67Å; D47-H244 IonicContact OD2-ND1 2.73Å; D47-H244 PolarHBondContact OD2-ND1 3.49Å; A240-H244 WeakPolarHBondContact O-CB 3.39Å; A240-H244 PolarHBondContact O-N 3.35Å; H244-L246 PolarHBondContact O-N 3.33Å; H244-A247 WeakPolarHBondContact O-CA 3.27Å; H244-A247 WeakPolarHBondContact O-CB 3.43Å; H244-A247 PolarHBondContact O-N 3.38Å; H244-D248 IonicContact CE1-OD2 2.74Å; H244-D248 PolarHBondContact CE1-OD2 3.01Å; H244-D248 IonicContact ND1-OD2 2.76Å; H244-D248 PolarHBondContact ND1-OD2 2.83Å; H244-D248 IonicContact NE2-OD2 2.99Å; H244-D248 PolarHBondContact O-N 3.29Å |
| 245 | V | 75.5 | Confident | 74.7 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -30.2 | -178.5 | -178.9 | 0 | 0 | 0 | 0 | 112 | L130 L133 V241 F249 | L130-V245 HydrophobicContact CD2-CB 4.29Å; L130-V245 HydrophobicContact CD2-CG1 3.52Å; L130-V245 HydrophobicContact CG-CG1 3.62Å; L133-V245 HydrophobicContact CD1-CG2 3.88Å; V241-V245 WeakPolarHBondContact O-CG2 3.42Å; V241-V245 PolarHBondContact O-N 3.29Å; V241-V245 VanDerWaalsContact O-N 3.12Å; V245-F249 VanDerWaalsContact O-CB 3.31Å; V245-F249 WeakPolarHBondContact O-CB 3.41Å; V245-F249 PolarHBondContact O-N 3.01Å |
| 246 | L | 78 | Confident | 76.8 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.1 | -35.9 | 171.7 | -179.4 | 61.8 | 0 | 0 | 0 | 112.5 | F242 H244 M250 | F242-L246 HydrophobicContact CE1-CD2 4.23Å; F242-L246 WeakPolarHBondContact O-CB 3.48Å; F242-L246 PolarHBondContact O-N 3.46Å; H244-L246 PolarHBondContact O-N 3.33Å; L246-M250 WeakPolarHBondContact O-CG 3.23Å; L246-M250 PolarHBondContact O-N 2.97Å; L246-M250 VanDerWaalsContact O-N 3.09Å |
| 247 | A | 81.9 | Confident | 78.8 | Confident | 20 Ų | 20 | 47 Ų | 47 | 17% | 0.165 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.9 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H43 L243 H244 F249 M250 G251 | H43-A247 VanDerWaalsContact CE1-CB 3.42Å; H43-A247 WeakPolarHBondContact CE1-CB 3.28Å; L243-A247 WeakPolarHBondContact O-CB 3.45Å; L243-A247 PolarHBondContact O-N 2.99Å; H244-A247 WeakPolarHBondContact O-CA 3.27Å; H244-A247 WeakPolarHBondContact O-CB 3.43Å; H244-A247 PolarHBondContact O-N 3.38Å; A247-F249 VanDerWaalsContact C-N 3.33Å; A247-F249 PolarHBondContact O-N 3.25Å; A247-M250 PolarHBondContact O-N 2.94Å; A247-G251 PolarHBondContact O-N 3.16Å |
| 248 | D | 84 | Confident | 80.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 172.8 | -69.8 | -20.4 | 0 | 0 | 0 | 111.7 | H43 N126 H244 M250 G251 S252 | H43-D248 IonicContact CE1-OD1 3.37Å; H43-D248 PolarHBondContact CE1-OD1 2.75Å; H43-D248 VanDerWaalsContact CE1-OD1 3.31Å; H43-D248 IonicContact ND1-OD1 3.68Å; H43-D248 PolarHBondContact ND1-OD1 2.89Å; N126-D248 VanDerWaalsContact ND2-C 3.3Å; N126-D248 PolarHBondContact ND2-O 3.45Å; N126-D248 VanDerWaalsContact ND2-O 3.16Å; H244-D248 IonicContact CE1-OD2 2.74Å; H244-D248 PolarHBondContact CE1-OD2 3.01Å; H244-D248 IonicContact ND1-OD2 2.76Å; H244-D248 PolarHBondContact ND1-OD2 2.83Å; H244-D248 IonicContact NE2-OD2 2.99Å; H244-D248 PolarHBondContact O-N 3.29Å; D248-M250 VanDerWaalsContact C-N 3.28Å; D248-M250 PolarHBondContact O-N 3.45Å; D248-G251 PolarHBondContact O-N 2.96Å; D248-S252 PolarHBondContact O-N 3.12Å; D248-S252 PolarHBondContact O-OG 3.13Å |
| 249 | F | 86.6 | Confident | 82.4 | Confident | 61 Ų | 61 | 37.8 Ų | 37.8 | 27% | 0.268 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.8 | -41.2 | 173.5 | 174.4 | -96 | 0 | 0 | 0 | 112 | L123 N126 I127 V245 A247 V253 | L123-F249 HydrophobicContact CD1-CD2 3.8Å; L123-F249 HydrophobicContact CD1-CE2 3.59Å; L123-F249 HydrophobicContact CD1-CZ 4.38Å; N126-F249 HydrophobicContact CB-CB 4.47Å; I127-F249 HydrophobicContact CG1-CE2 4.39Å; V245-F249 VanDerWaalsContact O-CB 3.31Å; V245-F249 WeakPolarHBondContact O-CB 3.41Å; V245-F249 PolarHBondContact O-N 3.01Å; A247-F249 VanDerWaalsContact C-N 3.33Å; A247-F249 PolarHBondContact O-N 3.25Å; F249-V253 HydrophobicContact CD1-CG2 4.44Å; F249-V253 HydrophobicContact CE1-CG2 4.01Å; F249-V253 HydrophobicContact CE2-CG2 4.31Å; F249-V253 HydrophobicContact CZ-CG2 3.94Å; F249-V253 VanDerWaalsContact O-CG2 3.27Å; F249-V253 WeakPolarHBondContact O-CG2 3.35Å; F249-V253 PolarHBondContact O-N 3.12Å; F249-V253 VanDerWaalsContact O-N 3.12Å |
| 250 | M | 88.4 | Confident | 84 | Confident | 65 Ų | 65 | 35.4 Ų | 35.4 | 32% | 0.32 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70.3 | -37.3 | 177.5 | -67 | -88.9 | 67.8 | 0 | 0 | 112.6 | L246 A247 D248 V253 I254 | L246-M250 WeakPolarHBondContact O-CG 3.23Å; L246-M250 PolarHBondContact O-N 2.97Å; L246-M250 VanDerWaalsContact O-N 3.09Å; A247-M250 PolarHBondContact O-N 2.94Å; D248-M250 VanDerWaalsContact C-N 3.28Å; D248-M250 PolarHBondContact O-N 3.45Å; M250-V253 HydrophobicContact CE-CB 4.23Å; M250-V253 HydrophobicContact CE-CG1 4.31Å; M250-V253 HydrophobicContact CE-CG2 4.38Å; M250-V253 PolarHBondContact O-N 3.19Å; M250-I254 WeakPolarHBondContact O-CB 3.35Å; M250-I254 VanDerWaalsContact O-CG1 3.27Å; M250-I254 WeakPolarHBondContact O-CG1 3.25Å; M250-I254 PolarHBondContact O-N 2.99Å |
| 251 | G | 89.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.1 | -54.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D40 A247 D248 V253 I254 V255 | D40-G251 WeakPolarHBondContact OD1-CA 3.37Å; A247-G251 PolarHBondContact O-N 3.16Å; D248-G251 PolarHBondContact O-N 2.96Å; G251-V253 VanDerWaalsContact C-N 3.32Å; G251-V253 PolarHBondContact O-N 3.44Å; G251-I254 WeakPolarHBondContact O-CA 3.42Å; G251-I254 WeakPolarHBondContact O-CB 3.42Å; G251-I254 PolarHBondContact O-N 3.49Å; G251-V255 PolarHBondContact O-N 3.25Å |
| 252 | S | 90 | Very high | 86.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.3 | -34.6 | 179.9 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | D40 N126 D248 V255 V256 | D40-S252 VanDerWaalsContact OD2-CA 3.31Å; D40-S252 WeakPolarHBondContact OD2-CA 3.37Å; D40-S252 PolarHBondContact OD2-N 3.24Å; D40-S252 PolarHBondContact OD2-OG 3.14Å; N126-S252 PolarHBondContact ND2-OG 3.35Å; N126-S252 VanDerWaalsContact ND2-OG 3.11Å; D248-S252 PolarHBondContact O-N 3.12Å; D248-S252 PolarHBondContact O-OG 3.13Å; S252-V255 PolarHBondContact O-N 3.34Å; S252-V256 WeakPolarHBondContact O-CB 3.26Å; S252-V256 VanDerWaalsContact O-CG2 3.28Å; S252-V256 WeakPolarHBondContact O-CG2 3.32Å; S252-V256 PolarHBondContact O-N 2.91Å |
| 253 | V | 92.7 | Very high | 87.4 | Confident | 45 Ų | 45 | 32.4 Ų | 32.4 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 172 | 167.7 | 0 | 0 | 0 | 0 | 111.3 | L123 F249 M250 G251 V256 V257 | L123-V253 HydrophobicContact CD1-CG2 3.59Å; F249-V253 HydrophobicContact CD1-CG2 4.44Å; F249-V253 HydrophobicContact CE1-CG2 4.01Å; F249-V253 HydrophobicContact CE2-CG2 4.31Å; F249-V253 HydrophobicContact CZ-CG2 3.94Å; F249-V253 VanDerWaalsContact O-CG2 3.27Å; F249-V253 WeakPolarHBondContact O-CG2 3.35Å; F249-V253 PolarHBondContact O-N 3.12Å; F249-V253 VanDerWaalsContact O-N 3.12Å; M250-V253 HydrophobicContact CE-CB 4.23Å; M250-V253 HydrophobicContact CE-CG1 4.31Å; M250-V253 HydrophobicContact CE-CG2 4.38Å; M250-V253 PolarHBondContact O-N 3.19Å; G251-V253 VanDerWaalsContact C-N 3.32Å; G251-V253 PolarHBondContact O-N 3.44Å; V253-V256 PolarHBondContact O-N 2.73Å; V253-V257 HydrophobicContact CG1-CG2 4.36Å; V253-V257 WeakPolarHBondContact O-CB 3.39Å; V253-V257 VanDerWaalsContact O-CG2 3.28Å; V253-V257 WeakPolarHBondContact O-CG2 3.31Å; V253-V257 PolarHBondContact O-N 2.86Å |
| 254 | I | 93.9 | Very high | 88.3 | Confident | 12 Ų | 12 | 35.4 Ų | 35.4 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 178.3 | -74.7 | 169.9 | 0 | 0 | 0 | 110.7 | M250 G251 V257 S258 M284 L287 M288 I291 | M250-I254 WeakPolarHBondContact O-CB 3.35Å; M250-I254 VanDerWaalsContact O-CG1 3.27Å; M250-I254 WeakPolarHBondContact O-CG1 3.25Å; M250-I254 PolarHBondContact O-N 2.99Å; G251-I254 WeakPolarHBondContact O-CA 3.42Å; G251-I254 WeakPolarHBondContact O-CB 3.42Å; G251-I254 PolarHBondContact O-N 3.49Å; I254-V257 PolarHBondContact O-N 2.74Å; I254-S258 WeakPolarHBondContact O-CB 3.44Å; I254-S258 PolarHBondContact O-N 3.45Å; I254-M284 HydrophobicContact CB-CE 4.29Å; I254-M284 HydrophobicContact CG2-CB 3.76Å; I254-M284 HydrophobicContact CG2-CE 3.93Å; I254-M284 WeakPolarHBondContact CG2-O 3.45Å; I254-M284 VanDerWaalsContact O-CE 3.25Å; I254-M284 WeakPolarHBondContact O-CE 3.29Å; I254-L287 HydrophobicContact CD1-CG 4.36Å; I254-M288 HydrophobicContact CD1-CB 3.92Å; I254-M288 HydrophobicContact CD1-CG 4.22Å; I254-M288 HydrophobicContact CG2-CB 4.36Å; I254-I291 HydrophobicContact CD1-CD1 3.93Å |
| 255 | V | 93.2 | Very high | 89 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 175.5 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L37 D40 M115 G251 S252 V257 S258 A259 | L37-V255 HydrophobicContact CD1-CG1 4.07Å; D40-V255 HydrophobicContact CB-CG2 3.97Å; M115-V255 HydrophobicContact CE-CG1 3.99Å; M115-V255 HydrophobicContact CG-CG1 4.14Å; G251-V255 PolarHBondContact O-N 3.25Å; S252-V255 PolarHBondContact O-N 3.34Å; V255-V257 PolarHBondContact O-N 3.45Å; V255-S258 WeakPolarHBondContact O-CB 3.32Å; V255-S258 PolarHBondContact O-N 3.39Å; V255-A259 WeakPolarHBondContact O-CB 3.23Å; V255-A259 PolarHBondContact O-N 3.45Å |
| 256 | V | 93.5 | Very high | 89.3 | Confident | 18 Ų | 18 | 41.2 Ų | 41.2 | 11% | 0.109 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 179.7 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | G119 S252 V253 A259 L260 | G119-V256 WeakPolarHBondContact O-CG2 3.41Å; S252-V256 WeakPolarHBondContact O-CB 3.26Å; S252-V256 VanDerWaalsContact O-CG2 3.28Å; S252-V256 WeakPolarHBondContact O-CG2 3.32Å; S252-V256 PolarHBondContact O-N 2.91Å; V253-V256 PolarHBondContact O-N 2.73Å; V256-A259 PolarHBondContact O-N 3.3Å; V256-L260 HydrophobicContact CG1-CD1 3.76Å; V256-L260 HydrophobicContact CG1-CG 4.22Å; V256-L260 WeakPolarHBondContact O-CB 3.34Å; V256-L260 VanDerWaalsContact O-CG 3.26Å; V256-L260 WeakPolarHBondContact O-CG 3.43Å; V256-L260 PolarHBondContact O-N 3.15Å |
| 257 | V | 93.7 | Very high | 89.5 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 38% | 0.382 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | V253 I254 V255 A259 L260 V261 M284 | V253-V257 HydrophobicContact CG1-CG2 4.36Å; V253-V257 WeakPolarHBondContact O-CB 3.39Å; V253-V257 VanDerWaalsContact O-CG2 3.28Å; V253-V257 WeakPolarHBondContact O-CG2 3.31Å; V253-V257 PolarHBondContact O-N 2.86Å; I254-V257 PolarHBondContact O-N 2.74Å; V255-V257 PolarHBondContact O-N 3.45Å; V257-A259 PolarHBondContact O-N 2.91Å; V257-L260 PolarHBondContact O-N 2.98Å; V257-V261 HydrophobicContact CG1-CG2 4.4Å; V257-V261 WeakPolarHBondContact O-CB 3.38Å; V257-V261 VanDerWaalsContact O-CG2 3.3Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 3.37Å; V257-M284 HydrophobicContact CB-CE 3.8Å; V257-M284 HydrophobicContact CG1-CE 3.65Å |
| 258 | S | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.5 | -51.2 | 174.9 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | I254 V255 L260 V261 L262 | I254-S258 WeakPolarHBondContact O-CB 3.44Å; I254-S258 PolarHBondContact O-N 3.45Å; V255-S258 WeakPolarHBondContact O-CB 3.32Å; V255-S258 PolarHBondContact O-N 3.39Å; S258-L260 PolarHBondContact O-N 2.92Å; S258-V261 PolarHBondContact O-N 2.79Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.97Å; S258-L262 VanDerWaalsContact O-N 3.12Å |
| 259 | A | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M115 V116 V255 V256 V257 L262 L263 | M115-A259 HydrophobicContact CB-CB 3.8Å; M115-A259 HydrophobicContact CG-CB 3.76Å; M115-A259 HydrophobicContact SD-CB 3.82Å; V116-A259 HydrophobicContact CB-CB 4.42Å; V116-A259 HydrophobicContact CG2-CB 3.47Å; V116-A259 VanDerWaalsContact CG2-CB 3.47Å; V255-A259 WeakPolarHBondContact O-CB 3.23Å; V255-A259 PolarHBondContact O-N 3.45Å; V256-A259 PolarHBondContact O-N 3.3Å; V257-A259 PolarHBondContact O-N 2.91Å; A259-L262 PolarHBondContact O-N 3.45Å; A259-L263 WeakPolarHBondContact O-CG 3.35Å; A259-L263 PolarHBondContact O-N 2.78Å; A259-L263 VanDerWaalsContact O-N 3.11Å |
| 260 | L | 92.4 | Very high | 88.7 | Confident | 67 Ų | 67 | 48 Ų | 48 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 176.1 | -73.9 | 174.6 | 0 | 0 | 0 | 112.3 | V116 V256 V257 S258 L262 L263 L264 | V116-L260 HydrophobicContact CG2-CD2 4.45Å; V256-L260 HydrophobicContact CG1-CD1 3.76Å; V256-L260 HydrophobicContact CG1-CG 4.22Å; V256-L260 WeakPolarHBondContact O-CB 3.34Å; V256-L260 VanDerWaalsContact O-CG 3.26Å; V256-L260 WeakPolarHBondContact O-CG 3.43Å; V256-L260 PolarHBondContact O-N 3.15Å; V257-L260 PolarHBondContact O-N 2.98Å; S258-L260 PolarHBondContact O-N 2.92Å; L260-L262 VanDerWaalsContact C-N 3.31Å; L260-L262 PolarHBondContact O-N 3.39Å; L260-L263 PolarHBondContact O-N 2.89Å; L260-L264 HydrophobicContact CB-CD1 4.29Å; L260-L264 HydrophobicContact CD2-CD1 4.35Å; L260-L264 VanDerWaalsContact O-CB 3.3Å; L260-L264 WeakPolarHBondContact O-CB 3.38Å; L260-L264 WeakPolarHBondContact O-CG 3.37Å; L260-L264 PolarHBondContact O-N 3.05Å |
| 261 | V | 92.2 | Very high | 88.2 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 174.9 | 168.3 | 0 | 0 | 0 | 0 | 111 | V257 S258 L263 V265 W276 I280 | V257-V261 HydrophobicContact CG1-CG2 4.4Å; V257-V261 WeakPolarHBondContact O-CB 3.38Å; V257-V261 VanDerWaalsContact O-CG2 3.3Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 3.37Å; S258-V261 PolarHBondContact O-N 2.79Å; V261-L263 PolarHBondContact O-N 3.34Å; V261-V265 HydrophobicContact CG1-CG2 4.32Å; V261-V265 WeakPolarHBondContact O-CB 3.38Å; V261-V265 VanDerWaalsContact O-CG2 3.27Å; V261-V265 WeakPolarHBondContact O-CG2 3.41Å; V261-V265 PolarHBondContact O-N 2.87Å; V261-W276 HydrophobicContact CG1-CZ3 4.3Å; V261-I280 HydrophobicContact CG1-CD1 4.26Å; V261-I280 HydrophobicContact CG1-CG1 4.26Å; V261-I280 HydrophobicContact CG1-CG2 4.29Å |
| 262 | L | 90 | Very high | 87.8 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -35.3 | 177.5 | -68.1 | 168.7 | 0 | 0 | 0 | 113.1 | I109 P112 M115 S258 A259 L260 K277 | I109-L262 HydrophobicContact CD1-CD1 3.57Å; P112-L262 HydrophobicContact CB-CB 4.18Å; M115-L262 HydrophobicContact SD-CD1 4.49Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.97Å; S258-L262 VanDerWaalsContact O-N 3.12Å; A259-L262 PolarHBondContact O-N 3.45Å; L260-L262 VanDerWaalsContact C-N 3.31Å; L260-L262 PolarHBondContact O-N 3.39Å; L262-K277 HydrophobicContact CD2-CB 3.89Å; L262-K277 HydrophobicContact CD2-CG 4.41Å |
| 263 | L | 90 | Very high | 87.4 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 38% | 0.382 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -84.6 | -44.7 | -179.2 | -71.4 | 178.3 | 0 | 0 | 0 | 114.9 | P112 Q113 V116 A259 L260 V261 | P112-L263 HydrophobicContact CB-CD2 4.01Å; P112-L263 HydrophobicContact CB-CG 4.23Å; P112-L263 HydrophobicContact CG-CD2 3.74Å; P112-L263 HydrophobicContact CG-CG 4.46Å; Q113-L263 HydrophobicContact CG-CD1 4.46Å; Q113-L263 HydrophobicContact CG-CD2 3.95Å; V116-L263 HydrophobicContact CG2-CD1 3.5Å; V116-L263 VanDerWaalsContact CG2-CD1 3.5Å; A259-L263 WeakPolarHBondContact O-CG 3.35Å; A259-L263 PolarHBondContact O-N 2.78Å; A259-L263 VanDerWaalsContact O-N 3.11Å; L260-L263 PolarHBondContact O-N 2.89Å; V261-L263 PolarHBondContact O-N 3.34Å |
| 264 | L | 91.1 | Very high | 87 | Confident | 134 Ų | 134 | 57.1 Ų | 57.1 | 70% | 0.702 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -81.7 | -28.3 | -169.7 | -66.8 | 175.5 | 0 | 0 | 0 | 113.2 | L260 | L260-L264 HydrophobicContact CB-CD1 4.29Å; L260-L264 HydrophobicContact CD2-CD1 4.35Å; L260-L264 VanDerWaalsContact O-CB 3.3Å; L260-L264 WeakPolarHBondContact O-CB 3.38Å; L260-L264 WeakPolarHBondContact O-CG 3.37Å; L260-L264 PolarHBondContact O-N 3.05Å |
| 265 | V | 88.5 | Confident | 86.7 | Confident | 48 Ų | 48 | 61.2 Ų | 61.2 | 29% | 0.291 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -79.6 | 128.1 | -180 | -178.4 | 0 | 0 | 0 | 0 | 109 | V261 W276 K277 | V261-V265 HydrophobicContact CG1-CG2 4.32Å; V261-V265 WeakPolarHBondContact O-CB 3.38Å; V261-V265 VanDerWaalsContact O-CG2 3.27Å; V261-V265 WeakPolarHBondContact O-CG2 3.41Å; V261-V265 PolarHBondContact O-N 2.87Å; V265-W276 HydrophobicContact CB-CH2 4.4Å; V265-W276 HydrophobicContact CG1-CH2 3.84Å; V265-W276 HydrophobicContact CG1-CZ2 3.69Å; V265-W276 HydrophobicContact CG2-CH2 4.31Å; V265-K277 WeakPolarHBondContact O-CE 3.39Å; V265-K277 PolarHBondContact O-NZ 3.24Å |
| 266 | P | 82.3 | Confident | 86.5 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 75% | 0.747 | 38% | 0.375 | S | S | * | . | trans | -66.1 | 167.3 | 177.5 | 27.3 | -35 | 0 | 0 | 0 | 112.8 | K277 | P266-K277 PolarHBondContact O-NZ 3.07Š| ||
| 267 | G | 80.5 | Confident | 86.3 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 29% | 0.289 | 37% | 0.373 | S | S | . | . | trans | 102.4 | 129.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K277 | G267-K277 PolarHBondContact O-NZ 2.7Š| ||
| 268 | E | 78.6 | Confident | 86.1 | Confident | 98 Ų | 98 | 65.7 Ų | 65.7 | 46% | 0.458 | 36% | 0.362 | S | S | . | . | trans | -90.6 | 129.7 | 178.3 | -75.2 | 167.7 | -140.3 | 0 | 0 | 110.8 | S270 K271 | E268-S270 PolarHBondContact O-N 2.78Å; E268-K271 HydrophobicContact CB-CB 4.24Å; E268-K271 HydrophobicContact CB-CD 4.17Å; E268-K271 HydrophobicContact CB-CG 4.18Å; E268-K271 PolarHBondContact O-N 3.04Å; E268-K271 IonicContact OE1-NZ 2.72Å; E268-K271 PolarHBondContact OE1-NZ 3.08Å; E268-K271 VanDerWaalsContact OE2-CD 3.3Å; E268-K271 WeakPolarHBondContact OE2-CD 3.03Å; E268-K271 WeakPolarHBondContact OE2-CE 3.13Å; E268-K271 IonicContact OE2-NZ 2.87Å; E268-K271 PolarHBondContact OE2-NZ 2.83Å | ||
| 269 | V | 80.6 | Confident | 86.1 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 28% | 0.279 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -60.1 | -39.4 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | K271 G272 K277 L278 | V269-K271 PolarHBondContact O-N 2.8Å; V269-K271 VanDerWaalsContact O-N 3.15Å; V269-G272 PolarHBondContact O-N 3.21Å; V269-K277 HydrophobicContact CG2-CB 4.07Å; V269-K277 HydrophobicContact CG2-CD 4.23Å; V269-L278 HydrophobicContact CG1-CD1 3.95Å; V269-L278 HydrophobicContact CG1-CD2 3.97Å; V269-L278 HydrophobicContact CG1-CG 3.88Å |
| 270 | S | 77.6 | Confident | 86.2 | Confident | 123 Ų | 123 | 72 Ų | 72 | 86% | 0.86 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -61.8 | -19.9 | 178.6 | -45.9 | 0 | 0 | 0 | 0 | 114.8 | E268 | E268-S270 PolarHBondContact O-N 2.78Š|
| 271 | K | 78.6 | Confident | 86.2 | Confident | 127 Ų | 127 | 69 Ų | 69 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -97.2 | -2.4 | 175.7 | -70.6 | 175.8 | 178.9 | 146.3 | 0 | 113.1 | E268 V269 E273 | E268-K271 HydrophobicContact CB-CB 4.24Å; E268-K271 HydrophobicContact CB-CD 4.17Å; E268-K271 HydrophobicContact CB-CG 4.18Å; E268-K271 PolarHBondContact O-N 3.04Å; E268-K271 IonicContact OE1-NZ 2.72Å; E268-K271 PolarHBondContact OE1-NZ 3.08Å; E268-K271 VanDerWaalsContact OE2-CD 3.3Å; E268-K271 WeakPolarHBondContact OE2-CD 3.03Å; E268-K271 WeakPolarHBondContact OE2-CE 3.13Å; E268-K271 IonicContact OE2-NZ 2.87Å; E268-K271 PolarHBondContact OE2-NZ 2.83Å; V269-K271 PolarHBondContact O-N 2.8Å; V269-K271 VanDerWaalsContact O-N 3.15Å; K271-E273 HydrophobicContact CB-CG 3.99Å; K271-E273 PolarHBondContact O-N 3.48Å |
| 272 | G | 81.1 | Confident | 86.3 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -2.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V269 A274 | V269-G272 PolarHBondContact O-N 3.21Å; G272-A274 VanDerWaalsContact C-N 3.3Å; G272-A274 PolarHBondContact O-N 2.87Å |
| 273 | E | 81.6 | Confident | 86.5 | Confident | 135 Ų | 135 | 68 Ų | 68 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29.4 | -175.8 | -63.1 | 174.3 | 163.4 | 0 | 0 | 113.1 | K271 | K271-E273 HydrophobicContact CB-CG 3.99Å; K271-E273 PolarHBondContact O-N 3.48Å |
| 274 | A | 84.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 42.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113 | G272 W276 K277 | G272-A274 VanDerWaalsContact C-N 3.3Å; G272-A274 PolarHBondContact O-N 2.87Å; A274-W276 PolarHBondContact O-N 3.15Å; A274-W276 VanDerWaalsContact O-N 3.1Å; A274-K277 HydrophobicContact CB-CD 3.79Å; A274-K277 HydrophobicContact CB-CG 4.07Å; A274-K277 VanDerWaalsContact O-CB 3.3Å; A274-K277 WeakPolarHBondContact O-CB 3.42Å; A274-K277 WeakPolarHBondContact O-CG 3.31Å; A274-K277 PolarHBondContact O-N 3.24Å |
| 275 | L | 86.4 | Confident | 86.8 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -52 | -33.2 | -179.9 | -72.5 | 170.5 | 0 | 0 | 0 | 113.7 | K277 L278 | L275-K277 PolarHBondContact O-N 3.39Å; L275-K277 VanDerWaalsContact O-N 3.1Å; L275-L278 HydrophobicContact CD2-CD1 4.14Å; L275-L278 VanDerWaalsContact O-CB 3.31Å; L275-L278 WeakPolarHBondContact O-CB 3.39Å; L275-L278 PolarHBondContact O-N 2.96Å |
| 276 | W | 89.2 | Confident | 87 | Confident | 128 Ų | 128 | 59.6 Ų | 59.6 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -59.9 | -22.3 | 179.3 | 63.7 | -95.9 | 0 | 0 | 0 | 114 | V261 V265 A274 L278 Y279 I280 | V261-W276 HydrophobicContact CG1-CZ3 4.3Å; V265-W276 HydrophobicContact CB-CH2 4.4Å; V265-W276 HydrophobicContact CG1-CH2 3.84Å; V265-W276 HydrophobicContact CG1-CZ2 3.69Å; V265-W276 HydrophobicContact CG2-CH2 4.31Å; A274-W276 PolarHBondContact O-N 3.15Å; A274-W276 VanDerWaalsContact O-N 3.1Å; W276-L278 PolarHBondContact O-N 3.27Å; W276-Y279 PolarHBondContact O-N 3.19Å; W276-Y279 VanDerWaalsContact O-N 3.1Å; W276-I280 HydrophobicContact CE3-CD1 4.01Å; W276-I280 HydrophobicContact CE3-CG1 4.09Å; W276-I280 HydrophobicContact CZ3-CD1 3.82Å; W276-I280 HydrophobicContact CZ3-CG1 3.99Å |
| 277 | K | 89.5 | Confident | 87.6 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 8% | 0.078 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -58.4 | -30.2 | 174.2 | -71.8 | -177.8 | 174.1 | -172.9 | 0 | 112.7 | L262 V265 P266 G267 V269 A274 L275 Y279 I280 | L262-K277 HydrophobicContact CD2-CB 3.89Å; L262-K277 HydrophobicContact CD2-CG 4.41Å; V265-K277 WeakPolarHBondContact O-CE 3.39Å; V265-K277 PolarHBondContact O-NZ 3.24Å; P266-K277 PolarHBondContact O-NZ 3.07Å; G267-K277 PolarHBondContact O-NZ 2.7Å; V269-K277 HydrophobicContact CG2-CB 4.07Å; V269-K277 HydrophobicContact CG2-CD 4.23Å; A274-K277 HydrophobicContact CB-CD 3.79Å; A274-K277 HydrophobicContact CB-CG 4.07Å; A274-K277 VanDerWaalsContact O-CB 3.3Å; A274-K277 WeakPolarHBondContact O-CB 3.42Å; A274-K277 WeakPolarHBondContact O-CG 3.31Å; A274-K277 PolarHBondContact O-N 3.24Å; L275-K277 PolarHBondContact O-N 3.39Å; L275-K277 VanDerWaalsContact O-N 3.1Å; K277-Y279 PolarHBondContact O-N 2.92Å; K277-I280 PolarHBondContact O-N 2.94Å |
| 278 | L | 89.5 | Confident | 88.1 | Confident | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -60.6 | -26.2 | 177.3 | -69.9 | 164.8 | 0 | 0 | 0 | 113 | T106 A108 V269 L275 W276 | T106-L278 HydrophobicContact CG2-CB 4.12Å; A108-L278 HydrophobicContact CB-CD2 4.06Å; V269-L278 HydrophobicContact CG1-CD1 3.95Å; V269-L278 HydrophobicContact CG1-CD2 3.97Å; V269-L278 HydrophobicContact CG1-CG 3.88Å; L275-L278 HydrophobicContact CD2-CD1 4.14Å; L275-L278 VanDerWaalsContact O-CB 3.31Å; L275-L278 WeakPolarHBondContact O-CB 3.39Å; L275-L278 PolarHBondContact O-N 2.96Å; W276-L278 PolarHBondContact O-N 3.27Å |
| 279 | Y | 93 | Very high | 88.7 | Confident | 98 Ų | 98 | 52.4 Ų | 52.4 | 38% | 0.384 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -91.1 | -6.5 | -179.1 | -58.5 | -66.6 | 0 | 0 | 0 | 114 | F103 T106 W276 K277 P282 S283 | F103-Y279 AromaticContact CD1-CD1 3.45Å; F103-Y279 HydrophobicContact CD1-CD1 3.45Å; F103-Y279 VanDerWaalsContact CD1-CD1 3.45Å; F103-Y279 HydrophobicContact CD1-CE1 4.04Å; F103-Y279 HydrophobicContact CD1-CG 4.31Å; F103-Y279 AromaticContact CE1-CD1 3.79Å; F103-Y279 HydrophobicContact CE1-CD1 3.79Å; F103-Y279 HydrophobicContact CE1-CG 4.22Å; F103-Y279 HydrophobicContact CG-CD1 4.38Å; F103-Y279 WeakPolarHBondContact O-CE1 3.26Å; T106-Y279 HydrophobicContact CG2-CD1 4.03Å; T106-Y279 HydrophobicContact CG2-CE1 3.4Å; T106-Y279 VanDerWaalsContact CG2-CE1 3.4Å; W276-Y279 PolarHBondContact O-N 3.19Å; W276-Y279 VanDerWaalsContact O-N 3.1Å; K277-Y279 PolarHBondContact O-N 2.92Å; Y279-P282 WeakPolarHBondContact O-CD 3.5Å; Y279-P282 WeakPolarHBondContact O-CG 3.5Å; Y279-S283 VanDerWaalsContact O-CB 3.22Å; Y279-S283 WeakPolarHBondContact O-CB 3.42Å; Y279-S283 PolarHBondContact O-N 3.5Å; Y279-S283 PolarHBondContact O-OG 3.32Å |
| 280 | I | 92.9 | Very high | 89.3 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.4 | -50.3 | -176.7 | -65.4 | -65.3 | 0 | 0 | 0 | 111.1 | V261 W276 K277 S283 M284 | V261-I280 HydrophobicContact CG1-CD1 4.26Å; V261-I280 HydrophobicContact CG1-CG1 4.26Å; V261-I280 HydrophobicContact CG1-CG2 4.29Å; W276-I280 HydrophobicContact CE3-CD1 4.01Å; W276-I280 HydrophobicContact CE3-CG1 4.09Å; W276-I280 HydrophobicContact CZ3-CD1 3.82Å; W276-I280 HydrophobicContact CZ3-CG1 3.99Å; K277-I280 PolarHBondContact O-N 2.94Å; I280-S283 WeakPolarHBondContact O-CB 3.26Å; I280-S283 PolarHBondContact O-N 2.87Å; I280-M284 HydrophobicContact CG2-CG 4.21Å; I280-M284 WeakPolarHBondContact O-CB 3.47Å; I280-M284 VanDerWaalsContact O-CG 3.23Å; I280-M284 WeakPolarHBondContact O-CG 3.35Å; I280-M284 PolarHBondContact O-N 2.88Å |
| 281 | D | 92.8 | Very high | 90 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 179.4 | -176.9 | 81.1 | 0 | 0 | 0 | 114.2 | S34 I35 S36 I109 M284 S285 | S34-D281 PolarHBondContact OG-OD1 2.92Å; I35-D281 WeakPolarHBondContact CA-OD2 3.34Å; I35-D281 WeakPolarHBondContact CB-OD2 3.36Å; I35-D281 PolarHBondContact N-OD2 3.47Å; S36-D281 WeakPolarHBondContact CB-OD1 3.49Å; S36-D281 PolarHBondContact N-OD1 3.4Å; S36-D281 VanDerWaalsContact N-OD1 3.1Å; S36-D281 PolarHBondContact N-OD2 3.12Å; I109-D281 HydrophobicContact CD1-CB 3.67Å; D281-M284 PolarHBondContact O-N 3.33Å; D281-S285 WeakPolarHBondContact O-CB 3.3Å; D281-S285 PolarHBondContact O-N 2.92Å; D281-S285 PolarHBondContact O-OG 2.83Å |
| 282 | P | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.6 | -30.9 | 174.8 | 28.1 | -36.1 | 0 | 0 | 0 | 112.9 | A99 R102 F103 Y279 S285 I286 | A99-P282 HydrophobicContact CB-CB 4.36Å; A99-P282 WeakPolarHBondContact O-CB 3.4Å; R102-P282 HydrophobicContact CB-CB 4.15Å; R102-P282 HydrophobicContact CG-CB 4.1Å; R102-P282 HydrophobicContact CG-CG 4.1Å; F103-P282 HydrophobicContact CD2-CB 3.79Å; F103-P282 HydrophobicContact CD2-CG 4.18Å; F103-P282 HydrophobicContact CE2-CB 3.67Å; F103-P282 HydrophobicContact CE2-CG 4.05Å; F103-P282 HydrophobicContact CZ-CB 4.37Å; F103-P282 HydrophobicContact CZ-CG 4.31Å; Y279-P282 WeakPolarHBondContact O-CD 3.5Å; Y279-P282 WeakPolarHBondContact O-CG 3.5Å; P282-S285 PolarHBondContact O-N 2.86Å; P282-I286 WeakPolarHBondContact O-CG1 3.43Å; P282-I286 PolarHBondContact O-N 3.46Å |
| 283 | S | 94.5 | Very high | 90.9 | Very high | 51 Ų | 51 | 43.8 Ų | 43.8 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 173 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | F103 Y279 I280 S285 I286 L287 | F103-S283 WeakPolarHBondContact CZ-OG 3.41Å; Y279-S283 VanDerWaalsContact O-CB 3.22Å; Y279-S283 WeakPolarHBondContact O-CB 3.42Å; Y279-S283 PolarHBondContact O-N 3.5Å; Y279-S283 PolarHBondContact O-OG 3.32Å; I280-S283 WeakPolarHBondContact O-CB 3.26Å; I280-S283 PolarHBondContact O-N 2.87Å; S283-S285 VanDerWaalsContact C-N 3.32Å; S283-I286 PolarHBondContact O-N 3.28Å; S283-L287 PolarHBondContact O-N 3.43Å |
| 284 | M | 93.9 | Very high | 91.4 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 15% | 0.148 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.2 | -34.8 | 178.6 | -67.5 | -62 | -85.4 | 0 | 0 | 111.3 | I254 V257 I280 D281 L287 M288 | I254-M284 HydrophobicContact CB-CE 4.29Å; I254-M284 HydrophobicContact CG2-CB 3.76Å; I254-M284 HydrophobicContact CG2-CE 3.93Å; I254-M284 WeakPolarHBondContact CG2-O 3.45Å; I254-M284 VanDerWaalsContact O-CE 3.25Å; I254-M284 WeakPolarHBondContact O-CE 3.29Å; V257-M284 HydrophobicContact CB-CE 3.8Å; V257-M284 HydrophobicContact CG1-CE 3.65Å; I280-M284 HydrophobicContact CG2-CG 4.21Å; I280-M284 WeakPolarHBondContact O-CB 3.47Å; I280-M284 VanDerWaalsContact O-CG 3.23Å; I280-M284 WeakPolarHBondContact O-CG 3.35Å; I280-M284 PolarHBondContact O-N 2.88Å; D281-M284 PolarHBondContact O-N 3.33Å; M284-L287 WeakPolarHBondContact O-CB 3.21Å; M284-L287 PolarHBondContact O-N 3Å; M284-L287 HydrophobicContact SD-CD2 4.21Å; M284-M288 WeakPolarHBondContact O-CB 3.45Å; M284-M288 PolarHBondContact O-N 3.3Å |
| 285 | S | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 171.8 | -55.1 | 0 | 0 | 0 | 0 | 112.6 | S36 D281 P282 S283 L287 M288 V289 | S36-S285 VanDerWaalsContact CA-OG 3.28Å; S36-S285 WeakPolarHBondContact CA-OG 3.3Å; S36-S285 PolarHBondContact N-OG 3.43Å; S36-S285 VanDerWaalsContact N-OG 3.16Å; D281-S285 WeakPolarHBondContact O-CB 3.3Å; D281-S285 PolarHBondContact O-N 2.92Å; D281-S285 PolarHBondContact O-OG 2.83Å; P282-S285 PolarHBondContact O-N 2.86Å; S283-S285 VanDerWaalsContact C-N 3.32Å; S285-L287 VanDerWaalsContact C-N 3.34Å; S285-M288 PolarHBondContact O-N 3.47Å; S285-V289 WeakPolarHBondContact O-CG2 3.41Å; S285-V289 PolarHBondContact O-N 3.45Å |
| 286 | I | 94.3 | Very high | 91.5 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.2 | -68 | -178.4 | 0 | 0 | 0 | 110.9 | L96 A99 I100 F103 P282 S283 V289 T290 | L96-I286 HydrophobicContact CD1-CD1 4.39Å; L96-I286 HydrophobicContact CD1-CG1 4.01Å; L96-I286 HydrophobicContact CD1-CG2 4.41Å; A99-I286 HydrophobicContact CB-CD1 4.37Å; A99-I286 HydrophobicContact CB-CG1 3.73Å; I100-I286 HydrophobicContact CG1-CD1 4.41Å; F103-I286 HydrophobicContact CD2-CD1 4.15Å; F103-I286 HydrophobicContact CE2-CD1 3.62Å; P282-I286 WeakPolarHBondContact O-CG1 3.43Å; P282-I286 PolarHBondContact O-N 3.46Å; S283-I286 PolarHBondContact O-N 3.28Å; I286-V289 PolarHBondContact O-N 3.4Å; I286-T290 VanDerWaalsContact O-CB 3.32Å; I286-T290 WeakPolarHBondContact O-CB 3.46Å; I286-T290 PolarHBondContact O-N 2.83Å; I286-T290 PolarHBondContact O-OG1 2.99Å |
| 287 | L | 93.8 | Very high | 91.6 | Very high | 84 Ų | 84 | 39.8 Ų | 39.8 | 44% | 0.44 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 175.7 | 177.2 | 61.2 | 0 | 0 | 0 | 111.4 | I254 S283 M284 S285 T290 I291 | I254-L287 HydrophobicContact CD1-CG 4.36Å; S283-L287 PolarHBondContact O-N 3.43Å; M284-L287 WeakPolarHBondContact O-CB 3.21Å; M284-L287 PolarHBondContact O-N 3Å; M284-L287 HydrophobicContact SD-CD2 4.21Å; S285-L287 VanDerWaalsContact C-N 3.34Å; L287-T290 PolarHBondContact O-N 3.18Å; L287-I291 HydrophobicContact CD1-CD1 4.1Å; L287-I291 HydrophobicContact CG-CD1 4.11Å; L287-I291 WeakPolarHBondContact O-CG1 3.47Å; L287-I291 PolarHBondContact O-N 3.38Å |
| 288 | M | 90.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57 | -53.8 | 176.4 | -167.9 | -155.3 | -178.4 | 0 | 0 | 111.5 | A39 D40 H43 I254 M284 S285 T290 I291 I292 | A39-M288 HydrophobicContact CB-SD 3.76Å; D40-M288 HydrophobicContact CB-CE 4.09Å; D40-M288 WeakPolarHBondContact OD1-CE 3.41Å; H43-M288 HydrophobicContact CB-CE 3.72Å; I254-M288 HydrophobicContact CD1-CB 3.92Å; I254-M288 HydrophobicContact CD1-CG 4.22Å; I254-M288 HydrophobicContact CG2-CB 4.36Å; M284-M288 WeakPolarHBondContact O-CB 3.45Å; M284-M288 PolarHBondContact O-N 3.3Å; S285-M288 PolarHBondContact O-N 3.47Å; M288-T290 VanDerWaalsContact C-N 3.27Å; M288-T290 PolarHBondContact O-N 3.05Å; M288-I291 PolarHBondContact O-N 3.35Å; M288-I291 VanDerWaalsContact O-N 3.14Å; M288-I292 HydrophobicContact CE-CD1 4.04Å; M288-I292 HydrophobicContact CG-CD1 3.96Å; M288-I292 WeakPolarHBondContact O-CD1 3.24Å; M288-I292 WeakPolarHBondContact O-CG1 3.38Å; M288-I292 PolarHBondContact O-N 3.33Å; M288-I292 HydrophobicContact SD-CD1 4.28Å |
| 289 | V | 92.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.2 | -37.8 | 179.1 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | C92 I95 L96 S285 I286 I292 L293 | C92-V289 HydrophobicContact CB-CG1 3.87Å; I95-V289 HydrophobicContact CB-CG2 3.84Å; I95-V289 HydrophobicContact CG2-CG2 3.49Å; I95-V289 VanDerWaalsContact CG2-CG2 3.49Å; L96-V289 HydrophobicContact CB-CG1 4.25Å; S285-V289 WeakPolarHBondContact O-CG2 3.41Å; S285-V289 PolarHBondContact O-N 3.45Å; I286-V289 PolarHBondContact O-N 3.4Å; V289-I292 PolarHBondContact O-N 2.95Å; V289-L293 HydrophobicContact CG1-CD1 3.79Å; V289-L293 HydrophobicContact CG1-CG 4.15Å; V289-L293 WeakPolarHBondContact O-CB 3.11Å; V289-L293 WeakPolarHBondContact O-CG 3.17Å; V289-L293 PolarHBondContact O-N 3.45Å |
| 290 | T | 93 | Very high | 91.2 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.2 | -43 | 177.2 | -59 | 0 | 0 | 0 | 0 | 111.4 | I286 L287 M288 L293 I294 | I286-T290 VanDerWaalsContact O-CB 3.32Å; I286-T290 WeakPolarHBondContact O-CB 3.46Å; I286-T290 PolarHBondContact O-N 2.83Å; I286-T290 PolarHBondContact O-OG1 2.99Å; L287-T290 PolarHBondContact O-N 3.18Å; M288-T290 VanDerWaalsContact C-N 3.27Å; M288-T290 PolarHBondContact O-N 3.05Å; T290-L293 PolarHBondContact O-N 2.85Å; T290-I294 HydrophobicContact CG2-CD1 3.91Å; T290-I294 WeakPolarHBondContact O-CB 2.78Å; T290-I294 WeakPolarHBondContact O-CD1 3.47Å; T290-I294 VanDerWaalsContact O-CG1 3.23Å; T290-I294 WeakPolarHBondContact O-CG1 3.44Å; T290-I294 PolarHBondContact O-N 2.72Å |
| 291 | I | 90.6 | Very high | 91.2 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 30% | 0.303 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 176 | -68.3 | 162 | 0 | 0 | 0 | 110.8 | I254 L287 M288 I294 T295 | I254-I291 HydrophobicContact CD1-CD1 3.93Å; L287-I291 HydrophobicContact CD1-CD1 4.1Å; L287-I291 HydrophobicContact CG-CD1 4.11Å; L287-I291 WeakPolarHBondContact O-CG1 3.47Å; L287-I291 PolarHBondContact O-N 3.38Å; M288-I291 PolarHBondContact O-N 3.35Å; M288-I291 VanDerWaalsContact O-N 3.14Å; I291-I294 PolarHBondContact O-N 3.27Å; I291-T295 PolarHBondContact O-N 2.84Å |
| 292 | I | 88.1 | Confident | 91 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 178.5 | -60.1 | 155.9 | 0 | 0 | 0 | 111.3 | H43 L88 C92 M288 V289 I294 T295 A296 | H43-I292 WeakPolarHBondContact CD2-CD1 3.36Å; L88-I292 HydrophobicContact CD1-CG2 3.86Å; L88-I292 HydrophobicContact CD2-CG2 4.05Å; L88-I292 HydrophobicContact CG-CG2 4.03Å; C92-I292 WeakPolarHBondContact SG-CG2 3.3Å; M288-I292 HydrophobicContact CE-CD1 4.04Å; M288-I292 HydrophobicContact CG-CD1 3.96Å; M288-I292 WeakPolarHBondContact O-CD1 3.24Å; M288-I292 WeakPolarHBondContact O-CG1 3.38Å; M288-I292 PolarHBondContact O-N 3.33Å; M288-I292 HydrophobicContact SD-CD1 4.28Å; V289-I292 PolarHBondContact O-N 2.95Å; I292-I294 PolarHBondContact O-N 2.97Å; I292-T295 PolarHBondContact O-N 3.03Å; I292-T295 PolarHBondContact O-OG1 2.97Å; I292-A296 VanDerWaalsContact O-CB 3.22Å; I292-A296 WeakPolarHBondContact O-CB 3.22Å; I292-A296 PolarHBondContact O-N 3.03Å |
| 293 | L | 91.5 | Very high | 90.8 | Very high | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 178.3 | -72.8 | 174.7 | 0 | 0 | 0 | 112.4 | I89 C92 M93 V289 T290 T295 A296 I297 | I89-L293 HydrophobicContact CG1-CD2 4.1Å; I89-L293 HydrophobicContact CG2-CD2 4.43Å; C92-L293 HydrophobicContact CB-CD2 3.76Å; C92-L293 HydrophobicContact CB-CG 4.06Å; M93-L293 HydrophobicContact CE-CD1 4.08Å; M93-L293 HydrophobicContact CE-CD2 4.34Å; V289-L293 HydrophobicContact CG1-CD1 3.79Å; V289-L293 HydrophobicContact CG1-CG 4.15Å; V289-L293 WeakPolarHBondContact O-CB 3.11Å; V289-L293 WeakPolarHBondContact O-CG 3.17Å; V289-L293 PolarHBondContact O-N 3.45Å; T290-L293 PolarHBondContact O-N 2.85Å; L293-T295 VanDerWaalsContact C-N 3.27Å; L293-T295 PolarHBondContact O-N 2.95Å; L293-A296 PolarHBondContact O-N 3.27Å; L293-I297 HydrophobicContact CB-CD1 4.28Å; L293-I297 WeakPolarHBondContact O-CB 3.24Å; L293-I297 WeakPolarHBondContact O-CD1 3.43Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 3.34Å |
| 294 | I | 91.5 | Very high | 90.8 | Very high | 116 Ų | 116 | 53.9 Ų | 53.9 | 60% | 0.595 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62 | -33.7 | 176.2 | -73.4 | 166.5 | 0 | 0 | 0 | 111.7 | T290 I291 I292 P298 | T290-I294 HydrophobicContact CG2-CD1 3.91Å; T290-I294 WeakPolarHBondContact O-CB 2.78Å; T290-I294 WeakPolarHBondContact O-CD1 3.47Å; T290-I294 VanDerWaalsContact O-CG1 3.23Å; T290-I294 WeakPolarHBondContact O-CG1 3.44Å; T290-I294 PolarHBondContact O-N 2.72Å; I291-I294 PolarHBondContact O-N 3.27Å; I292-I294 PolarHBondContact O-N 2.97Å; I294-P298 WeakPolarHBondContact O-CD 3.36Å; I294-P298 VanDerWaalsContact O-CG 3.32Å; I294-P298 WeakPolarHBondContact O-CG 3.45Å |
| 295 | T | 85.5 | Confident | 90.8 | Very high | 73 Ų | 73 | 54.9 Ų | 54.9 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -85.8 | -36.7 | 176.6 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | I291 I292 L293 | I291-T295 PolarHBondContact O-N 2.84Å; I292-T295 PolarHBondContact O-N 3.03Å; I292-T295 PolarHBondContact O-OG1 2.97Å; L293-T295 VanDerWaalsContact C-N 3.27Å; L293-T295 PolarHBondContact O-N 2.95Å |
| 296 | A | 87.7 | Confident | 90.7 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.8 | -43.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T85 L88 I89 I292 L293 L299 M300 | T85-A296 HydrophobicContact CG2-CB 4.14Å; T85-A296 WeakPolarHBondContact CG2-O 3.48Å; L88-A296 HydrophobicContact CD2-CB 3.85Å; I89-A296 HydrophobicContact CG1-CB 4.34Å; I292-A296 VanDerWaalsContact O-CB 3.22Å; I292-A296 WeakPolarHBondContact O-CB 3.22Å; I292-A296 PolarHBondContact O-N 3.03Å; L293-A296 PolarHBondContact O-N 3.27Å; A296-L299 WeakPolarHBondContact O-CB 3.48Å; A296-L299 PolarHBondContact O-N 3.41Å; A296-L299 VanDerWaalsContact O-N 3.1Å; A296-M300 PolarHBondContact O-N 3.29Å |
| 297 | I | 91.3 | Very high | 90.7 | Very high | 88 Ų | 88 | 55.9 Ų | 55.9 | 45% | 0.451 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | -174.9 | -68.9 | 166.7 | 0 | 0 | 0 | 112.5 | L293 L299 M300 Y301 | L293-I297 HydrophobicContact CB-CD1 4.28Å; L293-I297 WeakPolarHBondContact O-CB 3.24Å; L293-I297 WeakPolarHBondContact O-CD1 3.43Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 3.34Å; I297-L299 VanDerWaalsContact C-N 3.26Å; I297-L299 PolarHBondContact O-N 3.4Å; I297-M300 PolarHBondContact O-N 3.23Å; I297-Y301 PolarHBondContact O-N 3.46Å |
| 298 | P | 89.7 | Confident | 90.7 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -28.3 | 174.4 | -24.2 | 35.3 | 0 | 0 | 0 | 114.1 | I294 K302 | I294-P298 WeakPolarHBondContact O-CD 3.36Å; I294-P298 VanDerWaalsContact O-CG 3.32Å; I294-P298 WeakPolarHBondContact O-CG 3.45Å; P298-K302 WeakPolarHBondContact O-CG 3.33Å; P298-K302 PolarHBondContact O-N 3.02Å |
| 299 | L | 84.3 | Confident | 90.9 | Very high | 74 Ų | 74 | 62.2 Ų | 62.2 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.8 | -45.9 | 175.8 | -170.9 | 66.4 | 0 | 0 | 0 | 110.8 | A296 I297 Y301 K302 A303 | A296-L299 WeakPolarHBondContact O-CB 3.48Å; A296-L299 PolarHBondContact O-N 3.41Å; A296-L299 VanDerWaalsContact O-N 3.1Å; I297-L299 VanDerWaalsContact C-N 3.26Å; I297-L299 PolarHBondContact O-N 3.4Å; L299-Y301 VanDerWaalsContact C-N 3.33Å; L299-Y301 PolarHBondContact O-N 3.24Å; L299-K302 PolarHBondContact O-N 3.47Å; L299-A303 PolarHBondContact O-N 3.47Å; L299-A303 VanDerWaalsContact O-N 3.08Å |
| 300 | M | 90.4 | Very high | 91 | Very high | 56 Ų | 56 | 64 Ų | 64 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.1 | -49 | 173.2 | -172.5 | 175 | 59.9 | 0 | 0 | 111 | L82 T85 I89 A296 I297 K302 A303 T304 | L82-M300 HydrophobicContact CD1-CG 3.88Å; T85-M300 HydrophobicContact CG2-CB 3.67Å; T85-M300 HydrophobicContact CG2-CG 4.4Å; I89-M300 HydrophobicContact CD1-CE 3.83Å; I89-M300 HydrophobicContact CD1-SD 3.59Å; I89-M300 VanDerWaalsContact CD1-SD 3.59Å; A296-M300 PolarHBondContact O-N 3.29Å; I297-M300 PolarHBondContact O-N 3.23Å; M300-K302 VanDerWaalsContact C-N 3.34Å; M300-K302 PolarHBondContact O-N 2.9Å; M300-A303 PolarHBondContact O-N 2.72Å; M300-T304 WeakPolarHBondContact O-CB 3.36Å; M300-T304 PolarHBondContact O-N 3.47Å; M300-T304 PolarHBondContact O-OG1 2.83Å |
| 301 | Y | 92.2 | Very high | 91.1 | Very high | 149 Ų | 149 | 64.2 Ų | 64.2 | 58% | 0.584 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.6 | -45 | -179.5 | -177.6 | -109.4 | 0 | 0 | 0 | 112.2 | I297 L299 T304 L305 | I297-Y301 PolarHBondContact O-N 3.46Å; L299-Y301 VanDerWaalsContact C-N 3.33Å; L299-Y301 PolarHBondContact O-N 3.24Å; Y301-T304 PolarHBondContact O-N 3.12Å; Y301-L305 HydrophobicContact CD1-CD1 3.97Å; Y301-L305 HydrophobicContact CD1-CG 4.44Å; Y301-L305 HydrophobicContact CE1-CD1 3.43Å; Y301-L305 VanDerWaalsContact CE1-CD1 3.43Å; Y301-L305 HydrophobicContact CE1-CG 4.11Å; Y301-L305 HydrophobicContact CE2-CD1 4.39Å; Y301-L305 HydrophobicContact CE2-CD2 4.24Å; Y301-L305 HydrophobicContact CE2-CG 4.23Å; Y301-L305 WeakPolarHBondContact O-CG 3.36Å; Y301-L305 PolarHBondContact O-N 3.21Å |
| 302 | K | 89.5 | Confident | 91.1 | Very high | 133 Ų | 133 | 61.7 Ų | 61.7 | 58% | 0.578 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 176.5 | -72.6 | 170.6 | -176 | 173.6 | 0 | 112.6 | P298 L299 M300 I306 | P298-K302 WeakPolarHBondContact O-CG 3.33Å; P298-K302 PolarHBondContact O-N 3.02Å; L299-K302 PolarHBondContact O-N 3.47Å; M300-K302 VanDerWaalsContact C-N 3.34Å; M300-K302 PolarHBondContact O-N 2.9Å; K302-I306 WeakPolarHBondContact O-CG1 3.41Å; K302-I306 PolarHBondContact O-N 2.94Å |
| 303 | A | 89.2 | Confident | 91.1 | Very high | 5 Ų | 5 | 67 Ų | 67 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V78 L82 L299 M300 I306 L307 | V78-A303 HydrophobicContact CG1-CB 4.27Å; V78-A303 WeakPolarHBondContact CG1-O 3.5Å; L82-A303 HydrophobicContact CB-CB 4.3Å; L299-A303 PolarHBondContact O-N 3.47Å; L299-A303 VanDerWaalsContact O-N 3.08Å; M300-A303 PolarHBondContact O-N 2.72Å; A303-I306 PolarHBondContact O-N 2.97Å; A303-L307 PolarHBondContact O-N 2.97Å |
| 304 | T | 94.1 | Very high | 90.9 | Very high | 47 Ų | 47 | 70.4 Ų | 70.4 | 29% | 0.288 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 178.2 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | M300 Y301 I306 L307 L308 | M300-T304 WeakPolarHBondContact O-CB 3.36Å; M300-T304 PolarHBondContact O-N 3.47Å; M300-T304 PolarHBondContact O-OG1 2.83Å; Y301-T304 PolarHBondContact O-N 3.12Å; T304-I306 VanDerWaalsContact C-N 3.28Å; T304-I306 PolarHBondContact O-N 3.45Å; T304-L307 PolarHBondContact O-N 3.44Å; T304-L308 HydrophobicContact CG2-CD1 3.8Å; T304-L308 HydrophobicContact CG2-CG 4.18Å; T304-L308 WeakPolarHBondContact O-CB 3.27Å; T304-L308 WeakPolarHBondContact O-CG 3.22Å; T304-L308 PolarHBondContact O-N 3.01Å |
| 305 | L | 93.5 | Very high | 90.9 | Very high | 51 Ų | 51 | 65.5 Ų | 65.5 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.9 | -36.4 | 176.1 | -75.8 | -177.6 | 0 | 0 | 0 | 113.1 | Y301 L308 Q309 S310 | Y301-L305 HydrophobicContact CD1-CD1 3.97Å; Y301-L305 HydrophobicContact CD1-CG 4.44Å; Y301-L305 HydrophobicContact CE1-CD1 3.43Å; Y301-L305 VanDerWaalsContact CE1-CD1 3.43Å; Y301-L305 HydrophobicContact CE1-CG 4.11Å; Y301-L305 HydrophobicContact CE2-CD1 4.39Å; Y301-L305 HydrophobicContact CE2-CD2 4.24Å; Y301-L305 HydrophobicContact CE2-CG 4.23Å; Y301-L305 WeakPolarHBondContact O-CG 3.36Å; Y301-L305 PolarHBondContact O-N 3.21Å; L305-L308 CarbonylContact O-C 3.6Å; L305-L308 PolarHBondContact O-N 3.06Å; L305-Q309 PolarHBondContact O-N 2.97Å; L305-S310 WeakPolarHBondContact CD2-OG 3.4Å; L305-S310 WeakPolarHBondContact O-CB 3.42Å; L305-S310 PolarHBondContact O-N 3.18Å; L305-S310 PolarHBondContact O-OG 3.16Å |
| 306 | I | 91.9 | Very high | 91.3 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 9% | 0.092 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 177.1 | -64.3 | 167.1 | 0 | 0 | 0 | 110.7 | V78 K302 A303 T304 Q309 R340 | V78-I306 HydrophobicContact CB-CG2 4.48Å; V78-I306 HydrophobicContact CG1-CB 3.94Å; V78-I306 HydrophobicContact CG1-CD1 4.48Å; V78-I306 HydrophobicContact CG1-CG2 3.93Å; V78-I306 HydrophobicContact CG2-CG2 3.88Å; K302-I306 WeakPolarHBondContact O-CG1 3.41Å; K302-I306 PolarHBondContact O-N 2.94Å; A303-I306 PolarHBondContact O-N 2.97Å; T304-I306 VanDerWaalsContact C-N 3.28Å; T304-I306 PolarHBondContact O-N 3.45Å; I306-Q309 PolarHBondContact O-N 2.91Å; I306-Q309 VanDerWaalsContact O-N 3.15Å; I306-R340 HydrophobicContact CG1-CB 4.39Å; I306-R340 HydrophobicContact CG1-CG 4.26Å |
| 307 | L | 93.2 | Very high | 91.6 | Very high | 53 Ų | 53 | 68.1 Ų | 68.1 | 28% | 0.277 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.1 | -35.3 | 176 | -65.1 | 177.2 | 0 | 0 | 0 | 112.5 | V78 M79 L82 A303 T304 Q309 | V78-L307 HydrophobicContact CB-CD2 4.38Å; V78-L307 HydrophobicContact CG1-CD2 4.04Å; V78-L307 HydrophobicContact CG1-CG 3.93Å; M79-L307 HydrophobicContact SD-CD1 4.13Å; L82-L307 HydrophobicContact CB-CD1 4.46Å; L82-L307 HydrophobicContact CD2-CD1 3.52Å; A303-L307 PolarHBondContact O-N 2.97Å; T304-L307 PolarHBondContact O-N 3.44Å; L307-Q309 PolarHBondContact O-N 3.16Å |
| 308 | L | 95.2 | Very high | 91.7 | Very high | 122 Ų | 122 | 68.9 Ų | 68.9 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 4.4 | 171.8 | -68.4 | 176.8 | 0 | 0 | 0 | 113.8 | T304 L305 S310 | T304-L308 HydrophobicContact CG2-CD1 3.8Å; T304-L308 HydrophobicContact CG2-CG 4.18Å; T304-L308 WeakPolarHBondContact O-CB 3.27Å; T304-L308 WeakPolarHBondContact O-CG 3.22Å; T304-L308 PolarHBondContact O-N 3.01Å; L305-L308 CarbonylContact O-C 3.6Å; L305-L308 PolarHBondContact O-N 3.06Å; L308-S310 PolarHBondContact O-N 2.94Å |
| 309 | Q | 94.5 | Very high | 91.9 | Very high | 99 Ų | 99 | 69.8 Ų | 69.8 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 33.1 | 177.2 | -44.7 | -173.1 | 22.4 | 0 | 0 | 113.1 | L305 I306 L307 W339 | L305-Q309 PolarHBondContact O-N 2.97Å; I306-Q309 PolarHBondContact O-N 2.91Å; I306-Q309 VanDerWaalsContact O-N 3.15Å; L307-Q309 PolarHBondContact O-N 3.16Å; Q309-W339 HydrophobicContact CB-CB 4.1Å; Q309-W339 HydrophobicContact CB-CG 4.29Å; Q309-W339 WeakPolarHBondContact O-CB 3.19Å |
| 310 | S | 93.9 | Very high | 92.4 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 152.6 | -179.4 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | L305 L308 | L305-S310 WeakPolarHBondContact CD2-OG 3.4Å; L305-S310 WeakPolarHBondContact O-CB 3.42Å; L305-S310 PolarHBondContact O-N 3.18Å; L305-S310 PolarHBondContact O-OG 3.16Å; L308-S310 PolarHBondContact O-N 2.94Å |
| 311 | V | 94.1 | Very high | 92.6 | Very high | 67 Ų | 67 | 67.5 Ų | 67.5 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 131.1 | 172.2 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | S313 V338 | V311-S313 PolarHBondContact O-N 2.86Å; V311-V338 WeakPolarHBondContact CA-O 3.13Å; V311-V338 WeakPolarHBondContact CG2-O 3.4Å |
| 312 | P | 91.7 | Very high | 92.8 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 133.6 | 174.3 | 26.1 | -34.4 | 0 | 0 | 0 | 110.8 | E314 I315 V338 I346 | P312-E314 PolarHBondContact O-N 3.03Å; P312-I315 HydrophobicContact CG-CB 4.25Å; P312-I315 HydrophobicContact CG-CD1 3.76Å; P312-I315 HydrophobicContact CG-CG1 3.98Å; P312-I315 PolarHBondContact O-N 3.48Å; P312-V338 HydrophobicContact CG-CG1 4.45Å; P312-I346 HydrophobicContact CB-CD1 4.39Å; P312-I346 HydrophobicContact CG-CD1 4.02Å; P312-I346 HydrophobicContact CG-CG1 4.36Å; P312-I346 HydrophobicContact CG-CG2 4.02Å |
| 313 | S | 87.7 | Confident | 93 | Very high | 120 Ų | 120 | 61.7 Ų | 61.7 | 84% | 0.839 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14 | -177.3 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | V311 I315 | V311-S313 PolarHBondContact O-N 2.86Å; S313-I315 VanDerWaalsContact C-N 3.29Å |
| 314 | E | 88.3 | Confident | 93.3 | Very high | 94 Ų | 94 | 61.5 Ų | 61.5 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -10.1 | 173.4 | -58.3 | 99.3 | 157.4 | 0 | 0 | 114.1 | R233 P312 R340 | R233-E314 IonicContact CZ-OE1 3.27Å; R233-E314 IonicContact NH1-OE1 2.72Å; R233-E314 PolarHBondContact NH1-OE1 3.2Å; R233-E314 IonicContact NH2-OE1 2.72Å; R233-E314 PolarHBondContact NH2-OE1 3.39Å; P312-E314 PolarHBondContact O-N 3.03Å; E314-R340 IonicContact OE1-NH2 3.55Å; E314-R340 IonicContact OE2-CZ 3.39Å; E314-R340 IonicContact OE2-NH2 3.41Å; E314-R340 PolarHBondContact OE2-NH2 3.22Å |
| 315 | I | 91.2 | Very high | 93.2 | Very high | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | trans | -115.4 | 115.7 | -176.6 | -61.1 | -176 | 0 | 0 | 0 | 110.7 | P312 S313 L317 L320 V338 I346 F374 I376 | P312-I315 HydrophobicContact CG-CB 4.25Å; P312-I315 HydrophobicContact CG-CD1 3.76Å; P312-I315 HydrophobicContact CG-CG1 3.98Å; P312-I315 PolarHBondContact O-N 3.48Å; S313-I315 VanDerWaalsContact C-N 3.29Å; I315-L317 PolarHBondContact O-N 2.87Å; I315-L320 HydrophobicContact CG2-CD2 4.38Å; I315-V338 HydrophobicContact CD1-CG1 4.03Å; I315-I346 HydrophobicContact CD1-CD1 4.07Å; I315-I346 HydrophobicContact CD1-CG2 4.14Å; I315-F374 HydrophobicContact CD1-CB 4.49Å; I315-F374 WeakPolarHBondContact CD1-O 3.46Å; I315-F374 HydrophobicContact CG2-CD1 4.06Å; I315-I376 HydrophobicContact CD1-CD1 3.92Å; I315-I376 HydrophobicContact CD1-CG1 3.71Å | ||
| 316 | C | 93.7 | Very high | 93.3 | Very high | 74 Ų | 74 | 66.5 Ų | 66.5 | 50% | 0.5 | 36% | 0.361 | S | S | . | . | trans | -81.1 | 101.6 | 167.9 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | T318 N319 L320 | C316-T318 PolarHBondContact O-N 2.89Å; C316-N319 HydrophobicContact CB-CB 4.09Å; C316-N319 PolarHBondContact O-N 3.07Å; C316-N319 VanDerWaalsContact O-N 3.13Å; C316-L320 PolarHBondContact O-N 2.89Å; C316-L320 VanDerWaalsContact O-N 3.12Å | ||
| 317 | L | 93.4 | Very high | 93.3 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.8 | -35.1 | -178.2 | -164 | 68.5 | 0 | 0 | 0 | 112.5 | I315 K321 L336 V338 | I315-L317 PolarHBondContact O-N 2.87Å; L317-K321 VanDerWaalsContact O-CB 3.3Å; L317-K321 WeakPolarHBondContact O-CB 3.48Å; L317-K321 PolarHBondContact O-N 2.97Å; L317-L336 HydrophobicContact CD1-CD2 3.78Å; L317-L336 HydrophobicContact CD1-CG 3.93Å; L317-L336 HydrophobicContact CG-CD2 4.14Å; L317-V338 HydrophobicContact CD1-CB 4.26Å; L317-V338 HydrophobicContact CD1-CG2 3.82Å |
| 318 | T | 94 | Very high | 93.3 | Very high | 103 Ų | 103 | 71.2 Ų | 71.2 | 63% | 0.632 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.6 | -45.6 | 176.5 | -44.9 | 0 | 0 | 0 | 0 | 111.8 | C316 K321 T322 | C316-T318 PolarHBondContact O-N 2.89Å; T318-K321 PolarHBondContact O-N 3.5Å; T318-T322 PolarHBondContact O-N 2.85Å; T318-T322 PolarHBondContact O-OG1 2.93Å; T318-T322 VanDerWaalsContact O-OG1 3.12Å |
| 319 | N | 94.2 | Very high | 93 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 179 | -171.6 | -75.7 | 0 | 0 | 0 | 111.2 | C316 T322 R323 F374 | C316-N319 HydrophobicContact CB-CB 4.09Å; C316-N319 PolarHBondContact O-N 3.07Å; C316-N319 VanDerWaalsContact O-N 3.13Å; N319-T322 PolarHBondContact O-N 2.88Å; N319-R323 WeakPolarHBondContact O-CB 3.14Å; N319-R323 WeakPolarHBondContact O-CG 3.37Å; N319-R323 PolarHBondContact O-N 3.2Å; N319-R323 WeakPolarHBondContact OD1-CD 3.33Å; N319-F374 WeakPolarHBondContact OD1-CZ 3.34Å |
| 320 | L | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.5 | -49.7 | 174.1 | 176 | 58 | 0 | 0 | 0 | 110.8 | I315 C316 R323 M324 V338 L370 F371 F374 I376 | I315-L320 HydrophobicContact CG2-CD2 4.38Å; C316-L320 PolarHBondContact O-N 2.89Å; C316-L320 VanDerWaalsContact O-N 3.12Å; L320-R323 PolarHBondContact O-N 3.42Å; L320-M324 HydrophobicContact CD1-CG 4.23Å; L320-M324 HydrophobicContact CD1-SD 3.86Å; L320-M324 HydrophobicContact CG-SD 3.94Å; L320-M324 VanDerWaalsContact O-CG 3.24Å; L320-M324 WeakPolarHBondContact O-CG 3.3Å; L320-M324 PolarHBondContact O-N 3.47Å; L320-V338 HydrophobicContact CD2-CG2 4.15Å; L320-L370 HydrophobicContact CD1-CD2 4.4Å; L320-L370 HydrophobicContact CD1-CG 4.03Å; L320-F371 HydrophobicContact CD1-CD1 4.29Å; L320-F371 HydrophobicContact CD2-CD1 4.18Å; L320-F371 HydrophobicContact CD2-CE1 4.05Å; L320-F374 HydrophobicContact CB-CD1 4.44Å; L320-F374 HydrophobicContact CB-CE1 4.12Å; L320-F374 HydrophobicContact CB-CE2 4.36Å; L320-F374 HydrophobicContact CB-CZ 4.07Å; L320-F374 HydrophobicContact CD1-CD2 3.75Å; L320-F374 HydrophobicContact CD1-CE2 3.9Å; L320-F374 HydrophobicContact CD1-CG 4.2Å; L320-F374 HydrophobicContact CD1-CZ 4.46Å; L320-I376 HydrophobicContact CD2-CD1 3.9Å |
| 321 | K | 95.1 | Very high | 92.7 | Very high | 83 Ų | 83 | 66.6 Ų | 66.6 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.2 | -52.4 | 177.8 | -178.8 | 177.4 | 166.8 | 177.1 | 0 | 112.1 | L317 T318 R323 M324 E325 L336 | L317-K321 VanDerWaalsContact O-CB 3.3Å; L317-K321 WeakPolarHBondContact O-CB 3.48Å; L317-K321 PolarHBondContact O-N 2.97Å; T318-K321 PolarHBondContact O-N 3.5Å; K321-R323 VanDerWaalsContact C-N 3.3Å; K321-R323 PolarHBondContact O-N 3.18Å; K321-M324 CarbonylContact O-C 3.56Å; K321-M324 WeakPolarHBondContact O-CB 3.32Å; K321-M324 PolarHBondContact O-N 3.42Å; K321-E325 WeakPolarHBondContact CE-OE1 3.46Å; K321-E325 WeakPolarHBondContact CE-OE2 3.39Å; K321-E325 HydrophobicContact CG-CG 4.33Å; K321-E325 IonicContact NZ-OE1 3.73Å; K321-E325 PolarHBondContact NZ-OE1 3.29Å; K321-E325 WeakPolarHBondContact O-CG 3.41Å; K321-E325 PolarHBondContact O-N 2.93Å; K321-L336 HydrophobicContact CB-CD2 3.9Å; K321-L336 HydrophobicContact CG-CD2 4.48Å |
| 322 | T | 94.6 | Very high | 92.6 | Very high | 66 Ų | 66 | 68.6 Ų | 68.6 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 180 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | T318 N319 M324 E325 N326 | T318-T322 PolarHBondContact O-N 2.85Å; T318-T322 PolarHBondContact O-OG1 2.93Å; T318-T322 VanDerWaalsContact O-OG1 3.12Å; N319-T322 PolarHBondContact O-N 2.88Å; T322-M324 VanDerWaalsContact C-N 3.31Å; T322-M324 PolarHBondContact O-N 3.41Å; T322-E325 PolarHBondContact O-N 3.48Å; T322-N326 PolarHBondContact O-N 2.93Å; T322-N326 PolarHBondContact O-ND2 3.15Å |
| 323 | R | 95.2 | Very high | 92.7 | Very high | 94 Ų | 94 | 68.8 Ų | 68.8 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.8 | -29.8 | 174.7 | -75.1 | -171.7 | 65.2 | -172.1 | -5 | 113.3 | N319 L320 K321 L370 E373 | N319-R323 WeakPolarHBondContact O-CB 3.14Å; N319-R323 WeakPolarHBondContact O-CG 3.37Å; N319-R323 PolarHBondContact O-N 3.2Å; N319-R323 WeakPolarHBondContact OD1-CD 3.33Å; L320-R323 PolarHBondContact O-N 3.42Å; K321-R323 VanDerWaalsContact C-N 3.3Å; K321-R323 PolarHBondContact O-N 3.18Å; R323-L370 HydrophobicContact CB-CD1 4.19Å; R323-L370 HydrophobicContact CB-CD2 3.8Å; R323-L370 VanDerWaalsContact CZ-CD1 3.42Å; R323-E373 IonicContact CZ-OE1 3.31Å; R323-E373 IonicContact CZ-OE2 3.02Å; R323-E373 VanDerWaalsContact NH1-CD 3.25Å; R323-E373 IonicContact NH1-OE1 2.83Å; R323-E373 PolarHBondContact NH1-OE1 3.04Å; R323-E373 IonicContact NH1-OE2 3.58Å; R323-E373 PolarHBondContact NH1-OE2 3.06Å; R323-E373 IonicContact NH2-OE1 2.72Å; R323-E373 PolarHBondContact NH2-OE1 2.83Å; R323-E373 IonicContact NH2-OE2 3.47Å; R323-E373 PolarHBondContact NH2-OE2 3.27Å |
| 324 | M | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.5 | -41.1 | 172.5 | -64.7 | 169.3 | 68.5 | 0 | 0 | 111.4 | L320 K321 T322 N326 I327 I330 I333 L336 V350 I352 V367 L370 F371 | L320-M324 HydrophobicContact CD1-CG 4.23Å; L320-M324 HydrophobicContact CD1-SD 3.86Å; L320-M324 HydrophobicContact CG-SD 3.94Å; L320-M324 VanDerWaalsContact O-CG 3.24Å; L320-M324 WeakPolarHBondContact O-CG 3.3Å; L320-M324 PolarHBondContact O-N 3.47Å; K321-M324 CarbonylContact O-C 3.56Å; K321-M324 WeakPolarHBondContact O-CB 3.32Å; K321-M324 PolarHBondContact O-N 3.42Å; T322-M324 VanDerWaalsContact C-N 3.31Å; T322-M324 PolarHBondContact O-N 3.41Å; M324-N326 PolarHBondContact O-N 2.89Å; M324-I327 WeakPolarHBondContact O-CB 3.23Å; M324-I327 PolarHBondContact O-N 3.32Å; M324-I330 WeakPolarHBondContact O-CD1 3.34Å; M324-I333 HydrophobicContact CB-CD1 3.24Å; M324-I333 HydrophobicContact CE-CD1 4.24Å; M324-I333 HydrophobicContact CG-CD1 4.46Å; M324-L336 HydrophobicContact CE-CD1 4.5Å; M324-L336 HydrophobicContact SD-CD1 4.23Å; M324-V350 HydrophobicContact CE-CB 4.13Å; M324-V350 HydrophobicContact CE-CG1 3.91Å; M324-V350 HydrophobicContact CE-CG2 3.69Å; M324-I352 HydrophobicContact CE-CD1 4.29Å; M324-V367 HydrophobicContact CE-CG1 3.66Å; M324-V367 HydrophobicContact CE-CG2 4.33Å; M324-L370 HydrophobicContact CB-CD2 4.3Å; M324-L370 HydrophobicContact CG-CD2 3.43Å; M324-L370 VanDerWaalsContact CG-CD2 3.43Å; M324-L370 HydrophobicContact CG-CG 4.41Å; M324-F371 HydrophobicContact CE-CE2 4.47Å; M324-F371 HydrophobicContact CE-CZ 4.12Å; M324-F371 HydrophobicContact SD-CE1 4.36Å; M324-F371 HydrophobicContact SD-CZ 4.43Å |
| 325 | E | 93.8 | Very high | 93.1 | Very high | 81 Ų | 81 | 65.3 Ų | 65.3 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.9 | -20.4 | 176.6 | -70.9 | 175.5 | 145.1 | 0 | 0 | 113 | K321 T322 I333 | K321-E325 WeakPolarHBondContact CE-OE1 3.46Å; K321-E325 WeakPolarHBondContact CE-OE2 3.39Å; K321-E325 HydrophobicContact CG-CG 4.33Å; K321-E325 IonicContact NZ-OE1 3.73Å; K321-E325 PolarHBondContact NZ-OE1 3.29Å; K321-E325 WeakPolarHBondContact O-CG 3.41Å; K321-E325 PolarHBondContact O-N 2.93Å; T322-E325 PolarHBondContact O-N 3.48Å; E325-I333 HydrophobicContact CG-CD1 3.83Å; E325-I333 HydrophobicContact CG-CG1 4.13Å |
| 326 | N | 94.2 | Very high | 93.3 | Very high | 122 Ų | 122 | 65.8 Ų | 65.8 | 65% | 0.652 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 5.7 | 174.3 | -67.7 | -19.2 | 0 | 0 | 0 | 114.4 | T322 M324 | T322-N326 PolarHBondContact O-N 2.93Å; T322-N326 PolarHBondContact O-ND2 3.15Å; M324-N326 PolarHBondContact O-N 2.89Å |
| 327 | I | 93.4 | Very high | 93.4 | Very high | 18 Ų | 18 | 67.5 Ų | 67.5 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -85.3 | 125.4 | 175.3 | -63.6 | 172.6 | 0 | 0 | 0 | 109.2 | M324 G329 I330 E366 V367 L370 | M324-I327 WeakPolarHBondContact O-CB 3.23Å; M324-I327 PolarHBondContact O-N 3.32Å; I327-G329 PolarHBondContact O-N 3.16Å; I327-I330 HydrophobicContact CB-CD1 3.98Å; I327-I330 HydrophobicContact CB-CG1 4.28Å; I327-I330 HydrophobicContact CD1-CD1 4.47Å; I327-I330 HydrophobicContact CG2-CD1 4.3Å; I327-I330 HydrophobicContact CG2-CG1 4.37Å; I327-I330 PolarHBondContact O-N 3.33Å; I327-E366 HydrophobicContact CD1-CB 4.28Å; I327-E366 HydrophobicContact CG2-CB 4.34Å; I327-V367 HydrophobicContact CD1-CG2 3.72Å; I327-L370 HydrophobicContact CD1-CD2 4.2Å |
| 328 | D | 92.3 | Very high | 93.5 | Very high | 152 Ų | 152 | 64.9 Ų | 64.9 | 81% | 0.813 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 133.2 | -177.9 | -71.6 | -38.5 | 0 | 0 | 0 | 112.1 | ||
| 329 | G | 89.4 | Confident | 93.6 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -12.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | I327 H331 | I327-G329 PolarHBondContact O-N 3.16Å; G329-H331 PolarHBondContact O-N 3.31Å; G329-H331 PolarHBondContact O-ND1 2.87Å |
| 330 | I | 92.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | trans | -73.4 | 114.5 | 168.1 | -65.2 | -168.9 | 0 | 0 | 0 | 109.4 | M324 I327 I333 I352 I363 V367 | M324-I330 WeakPolarHBondContact O-CD1 3.34Å; I327-I330 HydrophobicContact CB-CD1 3.98Å; I327-I330 HydrophobicContact CB-CG1 4.28Å; I327-I330 HydrophobicContact CD1-CD1 4.47Å; I327-I330 HydrophobicContact CG2-CD1 4.3Å; I327-I330 HydrophobicContact CG2-CG1 4.37Å; I327-I330 PolarHBondContact O-N 3.33Å; I330-I333 HydrophobicContact CD1-CD1 4.32Å; I330-I333 HydrophobicContact CG2-CD1 4.06Å; I330-I333 HydrophobicContact CG2-CG1 3.58Å; I330-I352 HydrophobicContact CB-CG2 4.3Å; I330-I352 HydrophobicContact CD1-CD1 4.11Å; I330-I352 HydrophobicContact CD1-CG2 3.69Å; I330-I352 HydrophobicContact CG1-CG2 3.66Å; I330-I352 HydrophobicContact CG2-CG2 3.94Å; I330-I363 HydrophobicContact CD1-CG2 3.62Å; I330-I363 HydrophobicContact CG1-CD1 4.26Å; I330-I363 HydrophobicContact CG1-CG1 4.4Å; I330-I363 HydrophobicContact CG1-CG2 3.49Å; I330-I363 VanDerWaalsContact CG1-CG2 3.49Å; I330-V367 HydrophobicContact CD1-CG2 3.99Å | ||
| 331 | H | 90.1 | Very high | 93.2 | Very high | 108 Ų | 108 | 59.7 Ų | 59.7 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | trans | -84.2 | -34.2 | 177.5 | -71.6 | 59.2 | 0 | 0 | 0 | 111.7 | G329 R353 V355 | G329-H331 PolarHBondContact O-N 3.31Å; G329-H331 PolarHBondContact O-ND1 2.87Å; H331-R353 HydrophobicContact CB-CB 4.4Å; H331-R353 HydrophobicContact CB-CG 4.42Å; H331-R353 PolarHBondContact N-O 2.89Å; H331-V355 WeakPolarHBondContact CE1-CG2 3.34Å | ||
| 332 | K | 92.3 | Very high | 92.8 | Very high | 109 Ų | 109 | 57.4 Ų | 57.4 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 152.7 | 179.6 | -156 | 164.7 | 167.2 | -171.2 | 0 | 111.9 | H334 R353 | K332-H334 WeakPolarHBondContact CD-NE2 3.41Å; K332-H334 WeakPolarHBondContact CE-NE2 3.46Å; K332-H334 WeakPolarHBondContact CG-NE2 3.49Å; K332-R353 HydrophobicContact CB-CB 4.13Å; K332-R353 PolarHBondContact O-N 2.93Å |
| 333 | I | 93.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133 | 175.9 | -56.6 | -172.6 | 0 | 0 | 0 | 110.1 | M324 E325 I330 V350 | M324-I333 HydrophobicContact CB-CD1 3.24Å; M324-I333 HydrophobicContact CE-CD1 4.24Å; M324-I333 HydrophobicContact CG-CD1 4.46Å; E325-I333 HydrophobicContact CG-CD1 3.83Å; E325-I333 HydrophobicContact CG-CG1 4.13Å; I330-I333 HydrophobicContact CD1-CD1 4.32Å; I330-I333 HydrophobicContact CG2-CD1 4.06Å; I330-I333 HydrophobicContact CG2-CG1 3.58Å; I333-V350 HydrophobicContact CG2-CG2 3.47Å; I333-V350 VanDerWaalsContact CG2-CG2 3.47Å |
| 334 | H | 90.3 | Very high | 91.4 | Very high | 52 Ų | 52 | 56.6 Ų | 56.6 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 160.4 | -179 | -70.2 | -106.4 | 0 | 0 | 0 | 110.1 | K332 L336 H351 | K332-H334 WeakPolarHBondContact CD-NE2 3.41Å; K332-H334 WeakPolarHBondContact CE-NE2 3.46Å; K332-H334 WeakPolarHBondContact CG-NE2 3.49Å; H334-L336 PolarHBondContact O-N 3.17Å; H334-H351 HydrophobicContact CB-CB 3.96Å; H334-H351 PolarHBondContact N-O 3.06Å; H334-H351 PolarHBondContact O-N 3.47Å |
| 335 | D | 93.1 | Very high | 91.1 | Very high | 88 Ų | 88 | 57.2 Ų | 57.2 | 47% | 0.471 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.7 | 41.3 | 167.6 | -56.2 | -10.7 | 0 | 0 | 0 | 115.3 | H337 H351 | D335-H337 PolarHBondContact O-CD2 2.96Å; D335-H337 PolarHBondContact O-N 3.11Å; D335-H337 VanDerWaalsContact O-N 3.16Å; D335-H351 HydrophobicContact CB-CB 4.49Å; D335-H351 IonicContact OD2-CE1 3.85Å; D335-H351 IonicContact OD2-ND1 3.81Å |
| 336 | L | 95.7 | Very high | 91.1 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 101.1 | 173.5 | 179 | 66.3 | 0 | 0 | 0 | 109.5 | L317 K321 M324 H334 V338 T349 V350 F371 | L317-L336 HydrophobicContact CD1-CD2 3.78Å; L317-L336 HydrophobicContact CD1-CG 3.93Å; L317-L336 HydrophobicContact CG-CD2 4.14Å; K321-L336 HydrophobicContact CB-CD2 3.9Å; K321-L336 HydrophobicContact CG-CD2 4.48Å; M324-L336 HydrophobicContact CE-CD1 4.5Å; M324-L336 HydrophobicContact SD-CD1 4.23Å; H334-L336 PolarHBondContact O-N 3.17Å; L336-V338 HydrophobicContact CD1-CG2 4.43Å; L336-T349 WeakPolarHBondContact CA-O 3.1Å; L336-V350 HydrophobicContact CB-CG2 4.25Å; L336-V350 HydrophobicContact CD1-CB 3.89Å; L336-V350 HydrophobicContact CD1-CG2 3.95Å; L336-F371 HydrophobicContact CD1-CE1 4.06Å; L336-F371 HydrophobicContact CD1-CZ 4.09Å |
| 337 | H | 95.6 | Very high | 91.2 | Very high | 109 Ų | 109 | 48.4 Ų | 48.4 | 51% | 0.505 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.9 | 173.7 | -53.5 | -78.3 | 0 | 0 | 0 | 110.1 | D335 W339 G348 T349 | D335-H337 PolarHBondContact O-CD2 2.96Å; D335-H337 PolarHBondContact O-N 3.11Å; D335-H337 VanDerWaalsContact O-N 3.16Å; H337-W339 HydrophobicContact CB-CE3 4.17Å; H337-W339 HydrophobicContact CB-CZ3 4.08Å; H337-G348 CarbonylContact O-C 3.55Å; H337-G348 WeakPolarHBondContact O-CA 3.49Å; H337-T349 WeakPolarHBondContact CB-OG1 3.41Å; H337-T349 PolarHBondContact N-O 3.43Å; H337-T349 PolarHBondContact O-N 3.39Å |
| 338 | V | 96 | Very high | 91.3 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125.2 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | V311 P312 I315 L317 L320 L336 I346 I347 I376 | V311-V338 WeakPolarHBondContact CA-O 3.13Å; V311-V338 WeakPolarHBondContact CG2-O 3.4Å; P312-V338 HydrophobicContact CG-CG1 4.45Å; I315-V338 HydrophobicContact CD1-CG1 4.03Å; L317-V338 HydrophobicContact CD1-CB 4.26Å; L317-V338 HydrophobicContact CD1-CG2 3.82Å; L320-V338 HydrophobicContact CD2-CG2 4.15Å; L336-V338 HydrophobicContact CD1-CG2 4.43Å; V338-I346 HydrophobicContact CG1-CG2 3.66Å; V338-I347 WeakPolarHBondContact CA-O 3.13Å; V338-I376 HydrophobicContact CG1-CD1 3.84Å; V338-I376 HydrophobicContact CG1-CG1 4.19Å; V338-I376 HydrophobicContact CG2-CD1 4.03Å |
| 339 | W | 95.1 | Very high | 91.5 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 15% | 0.148 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 154.1 | -179 | 69 | 95.7 | 0 | 0 | 0 | 112.4 | Q309 H337 I346 I347 T349 | Q309-W339 HydrophobicContact CB-CB 4.1Å; Q309-W339 HydrophobicContact CB-CG 4.29Å; Q309-W339 WeakPolarHBondContact O-CB 3.19Å; H337-W339 HydrophobicContact CB-CE3 4.17Å; H337-W339 HydrophobicContact CB-CZ3 4.08Å; W339-I346 WeakPolarHBondContact O-CA 3.35Å; W339-I347 HydrophobicContact CD2-CB 4.11Å; W339-I347 HydrophobicContact CH2-CB 4.25Å; W339-I347 HydrophobicContact CH2-CG2 3.63Å; W339-I347 HydrophobicContact CZ2-CB 3.79Å; W339-I347 HydrophobicContact CZ2-CD1 4.09Å; W339-I347 HydrophobicContact CZ2-CG1 4.5Å; W339-I347 HydrophobicContact CZ2-CG2 3.47Å; W339-I347 VanDerWaalsContact CZ2-CG2 3.47Å; W339-I347 HydrophobicContact CZ3-CG2 4.23Å; W339-I347 PolarHBondContact N-O 3.42Å; W339-I347 PolarHBondContact O-N 2.72Å; W339-T349 HydrophobicContact CH2-CG2 3.55Å; W339-T349 HydrophobicContact CZ3-CG2 3.66Å |
| 340 | R | 92.6 | Very high | 91.8 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.4 | 175.1 | -167.4 | 173.4 | -69.9 | -81 | 2.8 | 109.4 | I306 E314 Q342 S343 | I306-R340 HydrophobicContact CG1-CB 4.39Å; I306-R340 HydrophobicContact CG1-CG 4.26Å; E314-R340 IonicContact OE1-NH2 3.55Å; E314-R340 IonicContact OE2-CZ 3.39Å; E314-R340 IonicContact OE2-NH2 3.41Å; E314-R340 PolarHBondContact OE2-NH2 3.22Å; R340-Q342 WeakPolarHBondContact CG-O 3.3Å; R340-S343 PolarHBondContact NH1-O 3.03Å |
| 341 | L | 89 | Confident | 92 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -41.6 | 174.2 | 176.1 | 63.9 | 0 | 0 | 0 | 111.3 | F71 Q74 R75 C345 I347 | F71-L341 HydrophobicContact CB-CD2 4.24Å; F71-L341 HydrophobicContact CD1-CD2 4.26Å; Q74-L341 VanDerWaalsContact OE1-CD2 3.31Å; R75-L341 HydrophobicContact CG-CD1 3.81Å; L341-C345 HydrophobicContact CB-CB 4.28Å; L341-C345 PolarHBondContact N-O 3.26Å; L341-I347 HydrophobicContact CB-CD1 3.98Å; L341-I347 HydrophobicContact CB-CG1 4.22Å; L341-I347 HydrophobicContact CD2-CD1 4.1Å; L341-I347 HydrophobicContact CG-CD1 4.46Å |
| 342 | Q | 87 | Confident | 92.3 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 174.6 | 177 | 55.8 | 162.7 | -7.1 | 0 | 0 | 109.3 | Q74 V78 R340 N344 C345 | Q74-Q342 HydrophobicContact CB-CG 4.26Å; V78-Q342 HydrophobicContact CG2-CB 4.48Å; R340-Q342 WeakPolarHBondContact CG-O 3.3Å; Q342-N344 PolarHBondContact O-N 3.31Å; Q342-C345 HydrophobicContact CG-CB 3.6Å; Q342-C345 PolarHBondContact N-O 3.19Å; Q342-C345 PolarHBondContact O-N 3.49Å |
| 343 | S | 78.7 | Confident | 92.3 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 11% | 0.112 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -31.5 | -51.1 | 177.4 | -40.9 | 0 | 0 | 0 | 0 | 113.9 | E77 M236 R340 | E77-S343 PolarHBondContact OE1-OG 3.21Å; M236-S343 VanDerWaalsContact SD-CB 3.56Å; M236-S343 PolarHBondContact SD-OG 3.17Å; R340-S343 PolarHBondContact NH1-O 3.03Å |
| 344 | N | 81.3 | Confident | 92.2 | Very high | 126 Ų | 126 | 34.1 Ų | 34.1 | 67% | 0.674 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | 25 | -174.4 | -63 | -10.4 | 0 | 0 | 0 | 114.2 | Q342 | Q342-N344 PolarHBondContact O-N 3.31Š|
| 345 | C | 88.4 | Confident | 92.1 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 9% | 0.088 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 119.7 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | L341 Q342 | L341-C345 HydrophobicContact CB-CB 4.28Å; L341-C345 PolarHBondContact N-O 3.26Å; Q342-C345 HydrophobicContact CG-CB 3.6Å; Q342-C345 PolarHBondContact N-O 3.19Å; Q342-C345 PolarHBondContact O-N 3.49Å |
| 346 | I | 93.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.062 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.2 | 175.6 | -53.6 | 168.9 | 0 | 0 | 0 | 107.8 | P312 I315 V338 W339 I376 H377 C378 | P312-I346 HydrophobicContact CB-CD1 4.39Å; P312-I346 HydrophobicContact CG-CD1 4.02Å; P312-I346 HydrophobicContact CG-CG1 4.36Å; P312-I346 HydrophobicContact CG-CG2 4.02Å; I315-I346 HydrophobicContact CD1-CD1 4.07Å; I315-I346 HydrophobicContact CD1-CG2 4.14Å; V338-I346 HydrophobicContact CG1-CG2 3.66Å; W339-I346 WeakPolarHBondContact O-CA 3.35Å; I346-I376 HydrophobicContact CB-CG1 4.47Å; I346-I376 HydrophobicContact CG2-CG1 3.84Å; I346-H377 PolarHBondContact O-N 2.87Å; I346-C378 PolarHBondContact O-N 3.12Å |
| 347 | I | 94.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.8 | 179.7 | -49.6 | -173.1 | 0 | 0 | 0 | 108.7 | F71 V338 W339 L341 C378 | F71-I347 HydrophobicContact CD1-CD1 4.07Å; F71-I347 HydrophobicContact CE1-CD1 3.66Å; F71-I347 HydrophobicContact CZ-CD1 4.21Å; V338-I347 WeakPolarHBondContact CA-O 3.13Å; W339-I347 HydrophobicContact CD2-CB 4.11Å; W339-I347 HydrophobicContact CH2-CB 4.25Å; W339-I347 HydrophobicContact CH2-CG2 3.63Å; W339-I347 HydrophobicContact CZ2-CB 3.79Å; W339-I347 HydrophobicContact CZ2-CD1 4.09Å; W339-I347 HydrophobicContact CZ2-CG1 4.5Å; W339-I347 HydrophobicContact CZ2-CG2 3.47Å; W339-I347 VanDerWaalsContact CZ2-CG2 3.47Å; W339-I347 HydrophobicContact CZ3-CG2 4.23Å; W339-I347 PolarHBondContact N-O 3.42Å; W339-I347 PolarHBondContact O-N 2.72Å; L341-I347 HydrophobicContact CB-CD1 3.98Å; L341-I347 HydrophobicContact CB-CG1 4.22Å; L341-I347 HydrophobicContact CD2-CD1 4.1Å; L341-I347 HydrophobicContact CG-CD1 4.46Å; I347-C378 CarbonylContact C-O 3.6Å; I347-C378 VanDerWaalsContact CA-O 3.3Å; I347-C378 WeakPolarHBondContact CA-O 3.39Å; I347-C378 HydrophobicContact CB-CB 4.43Å; I347-C378 HydrophobicContact CG1-CB 4.09Å; I347-C378 HydrophobicContact CG2-CB 4.19Å; I347-C378 WeakPolarHBondContact CG2-O 3.49Å |
| 348 | G | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | H337 C378 T379 T380 | H337-G348 CarbonylContact O-C 3.55Å; H337-G348 WeakPolarHBondContact O-CA 3.49Å; G348-C378 PolarHBondContact N-O 3.35Å; G348-T379 CarbonylContact O-C 3.57Å; G348-T379 WeakPolarHBondContact O-CA 3.4Å; G348-T380 PolarHBondContact O-N 3.05Å; G348-T380 PolarHBondContact O-OG1 3.47Å |
| 349 | T | 96.5 | Very high | 90.7 | Very high | 32 Ų | 32 | 36.2 Ų | 36.2 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.6 | 165.5 | 60.7 | 0 | 0 | 0 | 0 | 108.9 | L336 H337 W339 T380 | L336-T349 WeakPolarHBondContact CA-O 3.1Å; H337-T349 WeakPolarHBondContact CB-OG1 3.41Å; H337-T349 PolarHBondContact N-O 3.43Å; H337-T349 PolarHBondContact O-N 3.39Å; W339-T349 HydrophobicContact CH2-CG2 3.55Å; W339-T349 HydrophobicContact CZ3-CG2 3.66Å; T349-T380 CarbonylContact C-O 3.59Å; T349-T380 WeakPolarHBondContact CA-O 3.34Å; T349-T380 WeakPolarHBondContact CA-OG1 3.41Å; T349-T380 WeakPolarHBondContact CG2-OG1 3.47Å |
| 350 | V | 96.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 143.8 | 170.8 | 65 | 0 | 0 | 0 | 0 | 111.2 | M324 I333 L336 I352 V367 F371 T380 I381 Q382 | M324-V350 HydrophobicContact CE-CB 4.13Å; M324-V350 HydrophobicContact CE-CG1 3.91Å; M324-V350 HydrophobicContact CE-CG2 3.69Å; I333-V350 HydrophobicContact CG2-CG2 3.47Å; I333-V350 VanDerWaalsContact CG2-CG2 3.47Å; L336-V350 HydrophobicContact CB-CG2 4.25Å; L336-V350 HydrophobicContact CD1-CB 3.89Å; L336-V350 HydrophobicContact CD1-CG2 3.95Å; V350-I352 HydrophobicContact CG1-CD1 3.96Å; V350-I352 HydrophobicContact CG1-CG1 4.04Å; V350-I352 HydrophobicContact CG2-CD1 4.47Å; V350-I352 HydrophobicContact CG2-CG1 3.97Å; V350-V367 HydrophobicContact CG1-CG1 4.31Å; V350-F371 HydrophobicContact CB-CZ 4.04Å; V350-F371 HydrophobicContact CG1-CE2 3.74Å; V350-F371 HydrophobicContact CG1-CZ 3.7Å; V350-T380 PolarHBondContact N-O 3.28Å; V350-I381 HydrophobicContact CG1-CB 4.36Å; V350-I381 HydrophobicContact CG1-CG1 4.16Å; V350-I381 HydrophobicContact CG1-CG2 4.1Å; V350-I381 WeakPolarHBondContact O-CA 3.47Å; V350-Q382 PolarHBondContact O-N 3.45Å |
| 351 | H | 96.1 | Very high | 90.5 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.7 | 169.4 | -68.4 | -159.7 | 0 | 0 | 0 | 109.1 | H334 D335 Q382 E384 | H334-H351 HydrophobicContact CB-CB 3.96Å; H334-H351 PolarHBondContact N-O 3.06Å; H334-H351 PolarHBondContact O-N 3.47Å; D335-H351 HydrophobicContact CB-CB 4.49Å; D335-H351 IonicContact OD2-CE1 3.85Å; D335-H351 IonicContact OD2-ND1 3.81Å; H351-Q382 WeakPolarHBondContact CA-O 3.3Å; H351-Q382 PolarHBondContact CE1-NE2 3.48Å; H351-E384 IonicContact CG-OE1 3.92Å; H351-E384 IonicContact ND1-OE1 3.35Å; H351-E384 PolarHBondContact ND1-OE1 3.12Å |
| 352 | I | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 127 | -172.6 | -54.8 | -172.5 | 0 | 0 | 0 | 109.5 | M324 I330 V350 I363 V367 I381 Q382 E384 | M324-I352 HydrophobicContact CE-CD1 4.29Å; I330-I352 HydrophobicContact CB-CG2 4.3Å; I330-I352 HydrophobicContact CD1-CD1 4.11Å; I330-I352 HydrophobicContact CD1-CG2 3.69Å; I330-I352 HydrophobicContact CG1-CG2 3.66Å; I330-I352 HydrophobicContact CG2-CG2 3.94Å; V350-I352 HydrophobicContact CG1-CD1 3.96Å; V350-I352 HydrophobicContact CG1-CG1 4.04Å; V350-I352 HydrophobicContact CG2-CD1 4.47Å; V350-I352 HydrophobicContact CG2-CG1 3.97Å; I352-I363 HydrophobicContact CD1-CG2 4.5Å; I352-I363 HydrophobicContact CG2-CG2 4.19Å; I352-V367 HydrophobicContact CD1-CB 4.3Å; I352-V367 HydrophobicContact CD1-CG1 4.02Å; I352-V367 HydrophobicContact CD1-CG2 3.65Å; I352-I381 HydrophobicContact CD1-CG2 3.65Å; I352-I381 HydrophobicContact CG1-CG2 4.12Å; I352-Q382 PolarHBondContact N-O 2.92Å; I352-E384 PolarHBondContact O-N 3.3Å |
| 353 | R | 93 | Very high | 90.9 | Very high | 82 Ų | 82 | 39 Ų | 39 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.2 | 176.9 | -165.9 | 162.6 | -62.5 | -179.1 | 0.1 | 111.8 | H331 K332 E384 | H331-R353 HydrophobicContact CB-CB 4.4Å; H331-R353 HydrophobicContact CB-CG 4.42Å; H331-R353 PolarHBondContact N-O 2.89Å; K332-R353 HydrophobicContact CB-CB 4.13Å; K332-R353 PolarHBondContact O-N 2.93Å; R353-E384 CarbonylContact C-O 3.6Å; R353-E384 VanDerWaalsContact CA-O 3.26Å; R353-E384 WeakPolarHBondContact CA-O 3.46Å; R353-E384 IonicContact CZ-OE2 3.5Å; R353-E384 IonicContact NE-OE2 3.42Å; R353-E384 PolarHBondContact NE-OE2 3.21Å; R353-E384 IonicContact NH2-OE2 2.73Å; R353-E384 PolarHBondContact NH2-OE2 3.3Å |
| 354 | C | 91 | Very high | 91.7 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 159.1 | -178.6 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | I363 E384 F385 E386 | C354-I363 HydrophobicContact CB-CD1 4.45Å; C354-I363 VanDerWaalsContact SG-CD1 3.59Å; C354-E384 PolarHBondContact N-O 3.13Å; C354-F385 HydrophobicContact CB-CE1 4.5Å; C354-F385 WeakPolarHBondContact O-CA 3.49Å; C354-E386 PolarHBondContact O-N 3.06Å |
| 355 | V | 88.5 | Confident | 92.2 | Very high | 72 Ų | 72 | 41.1 Ų | 41.1 | 44% | 0.436 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -76 | -49.4 | 176.5 | -171 | 0 | 0 | 0 | 0 | 111.1 | H331 | H331-V355 WeakPolarHBondContact CE1-CG2 3.34Š|
| 356 | S | 87.1 | Confident | 92.5 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | trans | -134.1 | 160.2 | -172.9 | 83.6 | 0 | 0 | 0 | 0 | 114 | P358 D359 Y360 | S356-P358 WeakPolarHBondContact OG-CD 3.32Å; S356-D359 WeakPolarHBondContact CB-OD2 3.15Å; S356-D359 PolarHBondContact N-OD2 2.91Å; S356-D359 PolarHBondContact O-N 3.19Å; S356-D359 PolarHBondContact OG-N 3.06Å; S356-D359 PolarHBondContact OG-OD2 3.32Å; S356-Y360 PolarHBondContact O-N 2.88Å; S356-Y360 VanDerWaalsContact O-N 3.08Å | ||
| 357 | L | 88.6 | Confident | 92.6 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 36% | 0.356 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 177 | 178.2 | 66.7 | 0 | 0 | 0 | 113.1 | D359 Y360 L361 F385 V402 | L357-D359 PolarHBondContact O-N 2.86Å; L357-Y360 HydrophobicContact CD1-CD1 4.12Å; L357-Y360 WeakPolarHBondContact O-CB 3.3Å; L357-Y360 PolarHBondContact O-N 3.19Å; L357-L361 WeakPolarHBondContact O-CG 3.35Å; L357-L361 PolarHBondContact O-N 2.88Å; L357-L361 VanDerWaalsContact O-N 3.13Å; L357-F385 HydrophobicContact CB-CE1 4.41Å; L357-F385 HydrophobicContact CB-CZ 4.19Å; L357-F385 HydrophobicContact CD1-CZ 3.98Å; L357-V402 HydrophobicContact CD2-CB 4.48Å; L357-V402 HydrophobicContact CD2-CG1 4.1Å |
| 358 | P | 87 | Confident | 92.6 | Very high | 77 Ų | 77 | 48.4 Ų | 48.4 | 50% | 0.5 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55 | -44.9 | 170.8 | -29.3 | 36.1 | 0 | 0 | 0 | 113.9 | S356 Y360 L361 S362 | S356-P358 WeakPolarHBondContact OG-CD 3.32Å; P358-Y360 VanDerWaalsContact C-N 3.35Å; P358-Y360 PolarHBondContact O-N 3.29Å; P358-L361 WeakPolarHBondContact O-CB 3.33Å; P358-L361 PolarHBondContact O-N 3.16Å; P358-L361 VanDerWaalsContact O-N 3.12Å; P358-S362 PolarHBondContact O-N 3.43Å |
| 359 | D | 88.2 | Confident | 92.5 | Very high | 65 Ų | 65 | 55.3 Ų | 55.3 | 35% | 0.348 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 179.8 | -51.3 | -40.8 | 0 | 0 | 0 | 111 | S356 L357 L361 S362 I363 | S356-D359 WeakPolarHBondContact CB-OD2 3.15Å; S356-D359 PolarHBondContact N-OD2 2.91Å; S356-D359 PolarHBondContact O-N 3.19Å; S356-D359 PolarHBondContact OG-N 3.06Å; S356-D359 PolarHBondContact OG-OD2 3.32Å; L357-D359 PolarHBondContact O-N 2.86Å; D359-L361 VanDerWaalsContact C-N 3.25Å; D359-L361 PolarHBondContact O-N 3.02Å; D359-S362 PolarHBondContact O-N 3.17Å; D359-S362 PolarHBondContact O-OG 3.42Å; D359-I363 HydrophobicContact CB-CD1 4.26Å; D359-I363 WeakPolarHBondContact O-CB 3.44Å; D359-I363 WeakPolarHBondContact O-CD1 3.46Å; D359-I363 VanDerWaalsContact O-CG1 3.23Å; D359-I363 WeakPolarHBondContact O-CG1 3.18Å; D359-I363 PolarHBondContact O-N 2.96Å |
| 360 | Y | 92.7 | Very high | 92.4 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 15% | 0.153 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.7 | -38.6 | 173.4 | 168.2 | -105.6 | 0 | 0 | 0 | 112.3 | S356 L357 P358 S362 I363 A364 I381 P383 | S356-Y360 PolarHBondContact O-N 2.88Å; S356-Y360 VanDerWaalsContact O-N 3.08Å; L357-Y360 HydrophobicContact CD1-CD1 4.12Å; L357-Y360 WeakPolarHBondContact O-CB 3.3Å; L357-Y360 PolarHBondContact O-N 3.19Å; P358-Y360 VanDerWaalsContact C-N 3.35Å; P358-Y360 PolarHBondContact O-N 3.29Å; Y360-S362 VanDerWaalsContact C-N 3.33Å; Y360-S362 PolarHBondContact O-N 3.26Å; Y360-I363 PolarHBondContact O-N 3.48Å; Y360-A364 HydrophobicContact CD2-CB 4.31Å; Y360-A364 HydrophobicContact CE1-CB 4.47Å; Y360-A364 HydrophobicContact CE2-CB 3.85Å; Y360-A364 WeakPolarHBondContact O-CB 3.42Å; Y360-A364 PolarHBondContact O-N 3.09Å; Y360-I381 HydrophobicContact CE2-CG2 3.92Å; Y360-I381 PolarHBondContact OH-O 3.45Å; Y360-I381 VanDerWaalsContact OH-O 3.12Å; Y360-P383 HydrophobicContact CD1-CB 4.26Å; Y360-P383 HydrophobicContact CD1-CG 4.34Å; Y360-P383 HydrophobicContact CD2-CB 3.64Å; Y360-P383 HydrophobicContact CD2-CG 4.33Å; Y360-P383 HydrophobicContact CE1-CB 4.38Å; Y360-P383 HydrophobicContact CE1-CG 4.08Å; Y360-P383 HydrophobicContact CE2-CB 3.78Å; Y360-P383 HydrophobicContact CE2-CG 4.07Å; Y360-P383 HydrophobicContact CG-CB 3.89Å; Y360-P383 HydrophobicContact CG-CG 4.45Å |
| 361 | L | 91.4 | Very high | 92.3 | Very high | 88 Ų | 88 | 54.3 Ų | 54.3 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.9 | -25.1 | -180 | -69.2 | 174.4 | 0 | 0 | 0 | 113.7 | L357 P358 D359 R365 | L357-L361 WeakPolarHBondContact O-CG 3.35Å; L357-L361 PolarHBondContact O-N 2.88Å; L357-L361 VanDerWaalsContact O-N 3.13Å; P358-L361 WeakPolarHBondContact O-CB 3.33Å; P358-L361 PolarHBondContact O-N 3.16Å; P358-L361 VanDerWaalsContact O-N 3.12Å; D359-L361 VanDerWaalsContact C-N 3.25Å; D359-L361 PolarHBondContact O-N 3.02Å; L361-R365 PolarHBondContact O-NE 2.92Å; L361-R365 PolarHBondContact O-NH2 3Å; L361-R365 VanDerWaalsContact O-NH2 3.16Å |
| 362 | S | 90.9 | Very high | 92.2 | Very high | 40 Ų | 40 | 58.8 Ų | 58.8 | 28% | 0.28 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -79.4 | -51.3 | 167.2 | 33.2 | 0 | 0 | 0 | 0 | 111.7 | P358 D359 Y360 A364 R365 E366 | P358-S362 PolarHBondContact O-N 3.43Å; D359-S362 PolarHBondContact O-N 3.17Å; D359-S362 PolarHBondContact O-OG 3.42Å; Y360-S362 VanDerWaalsContact C-N 3.33Å; Y360-S362 PolarHBondContact O-N 3.26Å; S362-A364 VanDerWaalsContact C-N 3.3Å; S362-A364 PolarHBondContact O-N 3.45Å; S362-R365 VanDerWaalsContact CA-NH2 3.35Å; S362-R365 WeakPolarHBondContact O-CB 3.4Å; S362-R365 PolarHBondContact O-N 3.31Å; S362-E366 PolarHBondContact O-N 3.39Å |
| 363 | I | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.5 | -44.4 | -178.2 | -69.9 | 164.9 | 0 | 0 | 0 | 111.5 | I330 I352 C354 D359 Y360 R365 E366 V367 | I330-I363 HydrophobicContact CD1-CG2 3.62Å; I330-I363 HydrophobicContact CG1-CD1 4.26Å; I330-I363 HydrophobicContact CG1-CG1 4.4Å; I330-I363 HydrophobicContact CG1-CG2 3.49Å; I330-I363 VanDerWaalsContact CG1-CG2 3.49Å; I352-I363 HydrophobicContact CD1-CG2 4.5Å; I352-I363 HydrophobicContact CG2-CG2 4.19Å; C354-I363 HydrophobicContact CB-CD1 4.45Å; C354-I363 VanDerWaalsContact SG-CD1 3.59Å; D359-I363 HydrophobicContact CB-CD1 4.26Å; D359-I363 WeakPolarHBondContact O-CB 3.44Å; D359-I363 WeakPolarHBondContact O-CD1 3.46Å; D359-I363 VanDerWaalsContact O-CG1 3.23Å; D359-I363 WeakPolarHBondContact O-CG1 3.18Å; D359-I363 PolarHBondContact O-N 2.96Å; Y360-I363 PolarHBondContact O-N 3.48Å; I363-R365 VanDerWaalsContact C-N 3.25Å; I363-R365 PolarHBondContact O-N 3.38Å; I363-E366 PolarHBondContact O-N 3.35Å; I363-V367 HydrophobicContact CG2-CG2 4.12Å; I363-V367 WeakPolarHBondContact O-CB 3.42Å; I363-V367 WeakPolarHBondContact O-CG2 3.17Å; I363-V367 PolarHBondContact O-N 2.94Å |
| 364 | A | 94.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.6 | -28.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y360 S362 K368 I381 | Y360-A364 HydrophobicContact CD2-CB 4.31Å; Y360-A364 HydrophobicContact CE1-CB 4.47Å; Y360-A364 HydrophobicContact CE2-CB 3.85Å; Y360-A364 WeakPolarHBondContact O-CB 3.42Å; Y360-A364 PolarHBondContact O-N 3.09Å; S362-A364 VanDerWaalsContact C-N 3.3Å; S362-A364 PolarHBondContact O-N 3.45Å; A364-K368 WeakPolarHBondContact O-CB 3.26Å; A364-K368 PolarHBondContact O-N 2.84Å; A364-K368 VanDerWaalsContact O-N 3.09Å; A364-I381 HydrophobicContact CB-CD1 4.15Å; A364-I381 WeakPolarHBondContact O-CD1 3.41Å |
| 365 | R | 93.4 | Very high | 92.1 | Very high | 170 Ų | 170 | 66.6 Ų | 66.6 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -71.5 | -45 | 174.1 | -76.9 | 176.9 | -83.6 | 136.9 | -8.6 | 111.1 | L361 S362 I363 K368 Q369 | L361-R365 PolarHBondContact O-NE 2.92Å; L361-R365 PolarHBondContact O-NH2 3Å; L361-R365 VanDerWaalsContact O-NH2 3.16Å; S362-R365 VanDerWaalsContact CA-NH2 3.35Å; S362-R365 WeakPolarHBondContact O-CB 3.4Å; S362-R365 PolarHBondContact O-N 3.31Å; I363-R365 VanDerWaalsContact C-N 3.25Å; I363-R365 PolarHBondContact O-N 3.38Å; R365-K368 PolarHBondContact O-N 3.46Å; R365-Q369 PolarHBondContact O-N 3.21Å |
| 366 | E | 94.2 | Very high | 92.4 | Very high | 99 Ų | 99 | 63.3 Ų | 63.3 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 179 | -66.4 | -178.1 | -140.6 | 0 | 0 | 111.8 | I327 S362 I363 K368 Q369 L370 | I327-E366 HydrophobicContact CD1-CB 4.28Å; I327-E366 HydrophobicContact CG2-CB 4.34Å; S362-E366 PolarHBondContact O-N 3.39Å; I363-E366 PolarHBondContact O-N 3.35Å; E366-K368 VanDerWaalsContact C-N 3.34Å; E366-K368 PolarHBondContact O-N 3.35Å; E366-Q369 WeakPolarHBondContact O-CB 3.26Å; E366-Q369 PolarHBondContact O-N 2.93Å; E366-Q369 VanDerWaalsContact O-N 3.16Å; E366-L370 WeakPolarHBondContact O-CB 3.35Å; E366-L370 PolarHBondContact O-N 2.57Å |
| 367 | V | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 174.2 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | M324 I327 I330 V350 I352 I363 Q369 L370 F371 I381 | M324-V367 HydrophobicContact CE-CG1 3.66Å; M324-V367 HydrophobicContact CE-CG2 4.33Å; I327-V367 HydrophobicContact CD1-CG2 3.72Å; I330-V367 HydrophobicContact CD1-CG2 3.99Å; V350-V367 HydrophobicContact CG1-CG1 4.31Å; I352-V367 HydrophobicContact CD1-CB 4.3Å; I352-V367 HydrophobicContact CD1-CG1 4.02Å; I352-V367 HydrophobicContact CD1-CG2 3.65Å; I363-V367 HydrophobicContact CG2-CG2 4.12Å; I363-V367 WeakPolarHBondContact O-CB 3.42Å; I363-V367 WeakPolarHBondContact O-CG2 3.17Å; I363-V367 PolarHBondContact O-N 2.94Å; V367-Q369 VanDerWaalsContact C-N 3.33Å; V367-Q369 PolarHBondContact O-N 2.92Å; V367-L370 PolarHBondContact O-N 3.34Å; V367-F371 HydrophobicContact CG1-CD2 3.73Å; V367-F371 HydrophobicContact CG1-CE2 3.53Å; V367-F371 HydrophobicContact CG1-CZ 4.39Å; V367-F371 WeakPolarHBondContact O-CD2 3.23Å; V367-F371 PolarHBondContact O-N 2.9Å; V367-I381 HydrophobicContact CB-CD1 3.99Å; V367-I381 HydrophobicContact CG1-CD1 3.62Å; V367-I381 HydrophobicContact CG1-CG1 4.09Å |
| 368 | K | 94.3 | Very high | 92.3 | Very high | 87 Ų | 87 | 66.3 Ų | 66.3 | 38% | 0.378 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.2 | 179.6 | 176.3 | 171.1 | -179.9 | 0 | 112 | Y187 A364 R365 E366 H372 I381 | Y187-K368 WeakPolarHBondContact OH-CE 3.36Å; Y187-K368 PolarHBondContact OH-NZ 2.87Å; A364-K368 WeakPolarHBondContact O-CB 3.26Å; A364-K368 PolarHBondContact O-N 2.84Å; A364-K368 VanDerWaalsContact O-N 3.09Å; R365-K368 PolarHBondContact O-N 3.46Å; E366-K368 VanDerWaalsContact C-N 3.34Å; E366-K368 PolarHBondContact O-N 3.35Å; K368-H372 PolarHBondContact O-N 2.96Å; K368-H372 VanDerWaalsContact O-N 3.11Å; K368-I381 HydrophobicContact CB-CD1 4.33Å |
| 369 | Q | 94.2 | Very high | 92.7 | Very high | 145 Ų | 145 | 64 Ų | 64 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.5 | -42.9 | 174.3 | -178.2 | 172.6 | -10 | 0 | 0 | 111.6 | R365 E366 V367 H372 E373 | R365-Q369 PolarHBondContact O-N 3.21Å; E366-Q369 WeakPolarHBondContact O-CB 3.26Å; E366-Q369 PolarHBondContact O-N 2.93Å; E366-Q369 VanDerWaalsContact O-N 3.16Å; V367-Q369 VanDerWaalsContact C-N 3.33Å; V367-Q369 PolarHBondContact O-N 2.92Å; Q369-H372 WeakPolarHBondContact O-CB 3.44Å; Q369-H372 PolarHBondContact O-N 3.12Å; Q369-H372 VanDerWaalsContact O-N 3.17Å; Q369-E373 PolarHBondContact O-N 3.34Å |
| 370 | L | 94.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 64.8 Ų | 64.8 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | 176.4 | -178 | 55.5 | 0 | 0 | 0 | 111.8 | L320 R323 M324 I327 E366 V367 H372 E373 F374 | L320-L370 HydrophobicContact CD1-CD2 4.4Å; L320-L370 HydrophobicContact CD1-CG 4.03Å; R323-L370 HydrophobicContact CB-CD1 4.19Å; R323-L370 HydrophobicContact CB-CD2 3.8Å; R323-L370 VanDerWaalsContact CZ-CD1 3.42Å; M324-L370 HydrophobicContact CB-CD2 4.3Å; M324-L370 HydrophobicContact CG-CD2 3.43Å; M324-L370 VanDerWaalsContact CG-CD2 3.43Å; M324-L370 HydrophobicContact CG-CG 4.41Å; I327-L370 HydrophobicContact CD1-CD2 4.2Å; E366-L370 WeakPolarHBondContact O-CB 3.35Å; E366-L370 PolarHBondContact O-N 2.57Å; V367-L370 PolarHBondContact O-N 3.34Å; L370-H372 VanDerWaalsContact C-N 3.27Å; L370-H372 PolarHBondContact O-N 3.08Å; L370-E373 WeakPolarHBondContact O-CB 3.41Å; L370-E373 PolarHBondContact O-N 3.48Å; L370-E373 VanDerWaalsContact O-N 3.16Å; L370-F374 HydrophobicContact CD1-CD2 4.14Å; L370-F374 HydrophobicContact CD1-CE2 3.8Å; L370-F374 WeakPolarHBondContact O-CD2 3.17Å; L370-F374 PolarHBondContact O-N 3.4Å |
| 371 | F | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.1 | -40.2 | 171.8 | -81.1 | -47.5 | 0 | 0 | 0 | 112.6 | L320 M324 L336 V350 V367 E373 F374 N375 I376 T379 I381 | L320-F371 HydrophobicContact CD1-CD1 4.29Å; L320-F371 HydrophobicContact CD2-CD1 4.18Å; L320-F371 HydrophobicContact CD2-CE1 4.05Å; M324-F371 HydrophobicContact CE-CE2 4.47Å; M324-F371 HydrophobicContact CE-CZ 4.12Å; M324-F371 HydrophobicContact SD-CE1 4.36Å; M324-F371 HydrophobicContact SD-CZ 4.43Å; L336-F371 HydrophobicContact CD1-CE1 4.06Å; L336-F371 HydrophobicContact CD1-CZ 4.09Å; V350-F371 HydrophobicContact CB-CZ 4.04Å; V350-F371 HydrophobicContact CG1-CE2 3.74Å; V350-F371 HydrophobicContact CG1-CZ 3.7Å; V367-F371 HydrophobicContact CG1-CD2 3.73Å; V367-F371 HydrophobicContact CG1-CE2 3.53Å; V367-F371 HydrophobicContact CG1-CZ 4.39Å; V367-F371 WeakPolarHBondContact O-CD2 3.23Å; V367-F371 PolarHBondContact O-N 2.9Å; F371-E373 VanDerWaalsContact C-N 3.33Å; F371-E373 PolarHBondContact O-N 3.19Å; F371-F374 CarbonylContact O-C 3.55Å; F371-F374 PolarHBondContact O-N 3.4Å; F371-N375 PolarHBondContact O-N 3Å; F371-I376 HydrophobicContact CB-CB 4.16Å; F371-I376 HydrophobicContact CB-CG2 4.44Å; F371-I376 HydrophobicContact CD1-CB 4.38Å; F371-I376 HydrophobicContact CD1-CD1 3.55Å; F371-I376 HydrophobicContact CD1-CG2 4.38Å; F371-I376 HydrophobicContact CE1-CD1 4.12Å; F371-I376 WeakPolarHBondContact O-CB 3.49Å; F371-I376 PolarHBondContact O-N 3.31Å; F371-T379 HydrophobicContact CB-CG2 3.42Å; F371-T379 VanDerWaalsContact CB-CG2 3.42Å; F371-T379 HydrophobicContact CD2-CG2 3.45Å; F371-T379 VanDerWaalsContact CD2-CG2 3.45Å; F371-T379 HydrophobicContact CE2-CG2 4.28Å; F371-T379 HydrophobicContact CG-CG2 3.61Å; F371-I381 HydrophobicContact CE2-CG1 4.24Å |
| 372 | H | 93.2 | Very high | 93.4 | Very high | 132 Ų | 132 | 65 Ų | 65 | 61% | 0.611 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.6 | -36.6 | 177.4 | -169.7 | 71 | 0 | 0 | 0 | 112.5 | K368 Q369 L370 F374 N375 | K368-H372 PolarHBondContact O-N 2.96Å; K368-H372 VanDerWaalsContact O-N 3.11Å; Q369-H372 WeakPolarHBondContact O-CB 3.44Å; Q369-H372 PolarHBondContact O-N 3.12Å; Q369-H372 VanDerWaalsContact O-N 3.17Å; L370-H372 VanDerWaalsContact C-N 3.27Å; L370-H372 PolarHBondContact O-N 3.08Å; H372-F374 VanDerWaalsContact C-N 3.28Å; H372-F374 PolarHBondContact O-N 2.83Å; H372-N375 WeakPolarHBondContact O-CA 3.41Å; H372-N375 PolarHBondContact O-N 3.43Å |
| 373 | E | 93.4 | Very high | 93.6 | Very high | 111 Ų | 111 | 65.1 Ų | 65.1 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 174.2 | -162.1 | -172.4 | 145.5 | 0 | 0 | 112 | R323 Q369 L370 F371 N375 | R323-E373 IonicContact CZ-OE1 3.31Å; R323-E373 IonicContact CZ-OE2 3.02Å; R323-E373 VanDerWaalsContact NH1-CD 3.25Å; R323-E373 IonicContact NH1-OE1 2.83Å; R323-E373 PolarHBondContact NH1-OE1 3.04Å; R323-E373 IonicContact NH1-OE2 3.58Å; R323-E373 PolarHBondContact NH1-OE2 3.06Å; R323-E373 IonicContact NH2-OE1 2.72Å; R323-E373 PolarHBondContact NH2-OE1 2.83Å; R323-E373 IonicContact NH2-OE2 3.47Å; R323-E373 PolarHBondContact NH2-OE2 3.27Å; Q369-E373 PolarHBondContact O-N 3.34Å; L370-E373 WeakPolarHBondContact O-CB 3.41Å; L370-E373 PolarHBondContact O-N 3.48Å; L370-E373 VanDerWaalsContact O-N 3.16Å; F371-E373 VanDerWaalsContact C-N 3.33Å; F371-E373 PolarHBondContact O-N 3.19Å; E373-N375 PolarHBondContact O-N 3.16Å |
| 374 | F | 92.5 | Very high | 93.5 | Very high | 34 Ų | 34 | 67 Ų | 67 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 10.5 | 173.5 | -77.2 | -97.8 | 0 | 0 | 0 | 114 | I315 N319 L320 L370 F371 H372 I376 | I315-F374 HydrophobicContact CD1-CB 4.49Å; I315-F374 WeakPolarHBondContact CD1-O 3.46Å; I315-F374 HydrophobicContact CG2-CD1 4.06Å; N319-F374 WeakPolarHBondContact OD1-CZ 3.34Å; L320-F374 HydrophobicContact CB-CD1 4.44Å; L320-F374 HydrophobicContact CB-CE1 4.12Å; L320-F374 HydrophobicContact CB-CE2 4.36Å; L320-F374 HydrophobicContact CB-CZ 4.07Å; L320-F374 HydrophobicContact CD1-CD2 3.75Å; L320-F374 HydrophobicContact CD1-CE2 3.9Å; L320-F374 HydrophobicContact CD1-CG 4.2Å; L320-F374 HydrophobicContact CD1-CZ 4.46Å; L370-F374 HydrophobicContact CD1-CD2 4.14Å; L370-F374 HydrophobicContact CD1-CE2 3.8Å; L370-F374 WeakPolarHBondContact O-CD2 3.17Å; L370-F374 PolarHBondContact O-N 3.4Å; F371-F374 CarbonylContact O-C 3.55Å; F371-F374 PolarHBondContact O-N 3.4Å; H372-F374 VanDerWaalsContact C-N 3.28Å; H372-F374 PolarHBondContact O-N 2.83Å; F374-I376 HydrophobicContact CB-CD1 4.19Å; F374-I376 HydrophobicContact CB-CG1 4.47Å; F374-I376 PolarHBondContact O-N 2.76Å |
| 375 | N | 92 | Very high | 93.2 | Very high | 102 Ų | 102 | 70.5 Ų | 70.5 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 26.8 | -176.8 | -56.8 | -89.8 | 0 | 0 | 0 | 114.4 | F371 H372 E373 H377 | F371-N375 PolarHBondContact O-N 3Å; H372-N375 WeakPolarHBondContact O-CA 3.41Å; H372-N375 PolarHBondContact O-N 3.43Å; E373-N375 PolarHBondContact O-N 3.16Å; N375-H377 PolarHBondContact O-CE1 3.12Å; N375-H377 PolarHBondContact O-ND1 3.21Å |
| 376 | I | 93.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | trans | -82.8 | 123.9 | 171.1 | -62.7 | 161.8 | 0 | 0 | 0 | 107.7 | I315 L320 V338 I346 F371 F374 T379 | I315-I376 HydrophobicContact CD1-CD1 3.92Å; I315-I376 HydrophobicContact CD1-CG1 3.71Å; L320-I376 HydrophobicContact CD2-CD1 3.9Å; V338-I376 HydrophobicContact CG1-CD1 3.84Å; V338-I376 HydrophobicContact CG1-CG1 4.19Å; V338-I376 HydrophobicContact CG2-CD1 4.03Å; I346-I376 HydrophobicContact CB-CG1 4.47Å; I346-I376 HydrophobicContact CG2-CG1 3.84Å; F371-I376 HydrophobicContact CB-CB 4.16Å; F371-I376 HydrophobicContact CB-CG2 4.44Å; F371-I376 HydrophobicContact CD1-CB 4.38Å; F371-I376 HydrophobicContact CD1-CD1 3.55Å; F371-I376 HydrophobicContact CD1-CG2 4.38Å; F371-I376 HydrophobicContact CE1-CD1 4.12Å; F371-I376 WeakPolarHBondContact O-CB 3.49Å; F371-I376 PolarHBondContact O-N 3.31Å; F374-I376 HydrophobicContact CB-CD1 4.19Å; F374-I376 HydrophobicContact CB-CG1 4.47Å; F374-I376 PolarHBondContact O-N 2.76Å; I376-T379 HydrophobicContact CG2-CG2 3.96Å | ||
| 377 | H | 85.1 | Confident | 91.3 | Very high | 109 Ų | 109 | 71.5 Ų | 71.5 | 51% | 0.505 | 35% | 0.352 | S | S | . | . | trans | -100.5 | -36.5 | -169.5 | -65 | -19.3 | 0 | 0 | 0 | 112.9 | I346 N375 | I346-H377 PolarHBondContact O-N 2.87Å; N375-H377 PolarHBondContact O-CE1 3.12Å; N375-H377 PolarHBondContact O-ND1 3.21Å | ||
| 378 | C | 90 | Very high | 89.5 | Confident | 60 Ų | 60 | 77.6 Ų | 77.6 | 41% | 0.405 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 107.7 | 177.3 | -60.6 | 0 | 0 | 0 | 0 | 108.6 | I346 I347 G348 | I346-C378 PolarHBondContact O-N 3.12Å; I347-C378 CarbonylContact C-O 3.6Å; I347-C378 VanDerWaalsContact CA-O 3.3Å; I347-C378 WeakPolarHBondContact CA-O 3.39Å; I347-C378 HydrophobicContact CB-CB 4.43Å; I347-C378 HydrophobicContact CG1-CB 4.09Å; I347-C378 HydrophobicContact CG2-CB 4.19Å; I347-C378 WeakPolarHBondContact CG2-O 3.49Å; G348-C378 PolarHBondContact N-O 3.35Å |
| 379 | T | 95.1 | Very high | 87.5 | Confident | 28 Ų | 28 | 80.9 Ų | 80.9 | 17% | 0.172 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.4 | -177.7 | 57.7 | 0 | 0 | 0 | 0 | 110.5 | G348 F371 I376 | G348-T379 CarbonylContact O-C 3.57Å; G348-T379 WeakPolarHBondContact O-CA 3.4Å; F371-T379 HydrophobicContact CB-CG2 3.42Å; F371-T379 VanDerWaalsContact CB-CG2 3.42Å; F371-T379 HydrophobicContact CD2-CG2 3.45Å; F371-T379 VanDerWaalsContact CD2-CG2 3.45Å; F371-T379 HydrophobicContact CE2-CG2 4.28Å; F371-T379 HydrophobicContact CG-CG2 3.61Å; I376-T379 HydrophobicContact CG2-CG2 3.96Å |
| 380 | T | 95.6 | Very high | 84.9 | Confident | 82 Ų | 82 | 83.3 Ų | 83.3 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.5 | 169 | 40 | 0 | 0 | 0 | 0 | 108.1 | G348 T349 V350 | G348-T380 PolarHBondContact O-N 3.05Å; G348-T380 PolarHBondContact O-OG1 3.47Å; T349-T380 CarbonylContact C-O 3.59Å; T349-T380 WeakPolarHBondContact CA-O 3.34Å; T349-T380 WeakPolarHBondContact CA-OG1 3.41Å; T349-T380 WeakPolarHBondContact CG2-OG1 3.47Å; V350-T380 PolarHBondContact N-O 3.28Å |
| 381 | I | 96.2 | Very high | 82.5 | Confident | 30 Ų | 30 | 86.4 Ų | 86.4 | 15% | 0.154 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.5 | -175.5 | -52.4 | 172.1 | 0 | 0 | 0 | 105.3 | V350 I352 Y360 A364 V367 K368 F371 | V350-I381 HydrophobicContact CG1-CB 4.36Å; V350-I381 HydrophobicContact CG1-CG1 4.16Å; V350-I381 HydrophobicContact CG1-CG2 4.1Å; V350-I381 WeakPolarHBondContact O-CA 3.47Å; I352-I381 HydrophobicContact CD1-CG2 3.65Å; I352-I381 HydrophobicContact CG1-CG2 4.12Å; Y360-I381 HydrophobicContact CE2-CG2 3.92Å; Y360-I381 PolarHBondContact OH-O 3.45Å; Y360-I381 VanDerWaalsContact OH-O 3.12Å; A364-I381 HydrophobicContact CB-CD1 4.15Å; A364-I381 WeakPolarHBondContact O-CD1 3.41Å; V367-I381 HydrophobicContact CB-CD1 3.99Å; V367-I381 HydrophobicContact CG1-CD1 3.62Å; V367-I381 HydrophobicContact CG1-CG1 4.09Å; K368-I381 HydrophobicContact CB-CD1 4.33Å; F371-I381 HydrophobicContact CE2-CG1 4.24Å |
| 382 | Q | 95.6 | Very high | 79.9 | Confident | 101 Ų | 101 | 91 Ų | 91 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.2 | 178 | -179.1 | 166.4 | -46.9 | 0 | 0 | 109.3 | V350 H351 I352 | V350-Q382 PolarHBondContact O-N 3.45Å; H351-Q382 WeakPolarHBondContact CA-O 3.3Å; H351-Q382 PolarHBondContact CE1-NE2 3.48Å; I352-Q382 PolarHBondContact N-O 2.92Å |
| 383 | P | 94 | Very high | 77.2 | Confident | 43 Ų | 43 | 91.9 Ų | 91.9 | 28% | 0.279 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 137.6 | 170.1 | 28.1 | -29.5 | 0 | 0 | 0 | 110.9 | Y360 F385 | Y360-P383 HydrophobicContact CD1-CB 4.26Å; Y360-P383 HydrophobicContact CD1-CG 4.34Å; Y360-P383 HydrophobicContact CD2-CB 3.64Å; Y360-P383 HydrophobicContact CD2-CG 4.33Å; Y360-P383 HydrophobicContact CE1-CB 4.38Å; Y360-P383 HydrophobicContact CE1-CG 4.08Å; Y360-P383 HydrophobicContact CE2-CB 3.78Å; Y360-P383 HydrophobicContact CE2-CG 4.07Å; Y360-P383 HydrophobicContact CG-CB 3.89Å; Y360-P383 HydrophobicContact CG-CG 4.45Å; P383-F385 HydrophobicContact CB-CE1 4.17Å; P383-F385 HydrophobicContact CB-CE2 3.84Å; P383-F385 HydrophobicContact CB-CZ 3.6Å; P383-F385 HydrophobicContact CG-CE2 4.1Å; P383-F385 HydrophobicContact CG-CZ 4.12Å |
| 384 | E | 91.9 | Very high | 74.8 | Confident | 45 Ų | 45 | 89.6 Ų | 89.6 | 21% | 0.21 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.8 | 157.4 | -66.9 | 179.6 | -170.4 | 0 | 0 | 107.2 | H351 I352 R353 C354 | H351-E384 IonicContact CG-OE1 3.92Å; H351-E384 IonicContact ND1-OE1 3.35Å; H351-E384 PolarHBondContact ND1-OE1 3.12Å; I352-E384 PolarHBondContact O-N 3.3Å; R353-E384 CarbonylContact C-O 3.6Å; R353-E384 VanDerWaalsContact CA-O 3.26Å; R353-E384 WeakPolarHBondContact CA-O 3.46Å; R353-E384 IonicContact CZ-OE2 3.5Å; R353-E384 IonicContact NE-OE2 3.42Å; R353-E384 PolarHBondContact NE-OE2 3.21Å; R353-E384 IonicContact NH2-OE2 2.73Å; R353-E384 PolarHBondContact NH2-OE2 3.3Å; C354-E384 PolarHBondContact N-O 3.13Å |
| 385 | F | 88.2 | Confident | 72.3 | Confident | 88 Ų | 88 | 95.8 Ų | 95.8 | 39% | 0.386 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 145.3 | 175.9 | -60.2 | -67.7 | 0 | 0 | 0 | 110.1 | C354 L357 P383 E387 | C354-F385 HydrophobicContact CB-CE1 4.5Å; C354-F385 WeakPolarHBondContact O-CA 3.49Å; L357-F385 HydrophobicContact CB-CE1 4.41Å; L357-F385 HydrophobicContact CB-CZ 4.19Å; L357-F385 HydrophobicContact CD1-CZ 3.98Å; P383-F385 HydrophobicContact CB-CE1 4.17Å; P383-F385 HydrophobicContact CB-CE2 3.84Å; P383-F385 HydrophobicContact CB-CZ 3.6Å; P383-F385 HydrophobicContact CG-CE2 4.1Å; P383-F385 HydrophobicContact CG-CZ 4.12Å; F385-E387 PolarHBondContact O-N 3.27Å |
| 386 | E | 77.1 | Confident | 70.3 | Confident | 109 Ų | 109 | 95.5 Ų | 95.5 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | trans | -69.7 | 124.3 | 173.9 | -170.9 | 157.2 | -137.1 | 0 | 0 | 109.9 | C354 N388 | C354-E386 PolarHBondContact O-N 3.06Å; E386-N388 PolarHBondContact O-N 3.39Å | ||
| 387 | E | 70 | Confident | 68.1 | Low | 182 Ų | 182 | 100.4 Ų | 100.4 | 85% | 0.85 | 56% | 0.561 | S | S | * | * | trans | -66.9 | 106.2 | 171.6 | -69.9 | -179.2 | 175.4 | 0 | 0 | 108 | F385 I389 | F385-E387 PolarHBondContact O-N 3.27Å; E387-I389 PolarHBondContact O-N 2.88Å | ||
| 388 | N | 59.1 | Low | 66.5 | Low | 128 Ų | 128 | 104.3 Ų | 104.3 | 68% | 0.684 | 57% | 0.573 | S | S | * | * | trans | -55.7 | 107.7 | 174 | -80.2 | -61.2 | 0 | 0 | 0 | 109.1 | E386 E390 | E386-N388 PolarHBondContact O-N 3.39Å; N388-E390 PolarHBondContact O-N 3.42Å | ||
| 389 | I | 51.2 | Low | 64.7 | Low | 156 Ų | 156 | 110.9 Ų | 110.9 | 80% | 0.8 | 59% | 0.589 | S | S | * | * | trans | -51.9 | 125.5 | 177.9 | -63.7 | 166.7 | 0 | 0 | 0 | 108.6 | E387 G391 | E387-I389 PolarHBondContact O-N 2.88Å; I389-G391 PolarHBondContact O-N 3Å | ||
| 390 | E | 39.6 | Very low | 62.8 | Low | 196 Ų | 196 | 114.8 Ų | 114.8 | 92% | 0.916 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | 100.7 | 179.9 | -61.3 | -178.7 | 144.2 | 0 | 0 | 110.3 | N388 | N388-E390 PolarHBondContact O-N 3.42Š|
| 391 | G | 45.4 | Very low | 61 | Low | 77 Ų | 77 | 113.4 Ų | 113.4 | 79% | 0.794 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.4 | -22.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | I389 | I389-G391 PolarHBondContact O-N 3Š|
| 392 | S | 39.8 | Very low | 59.5 | Low | 97 Ų | 97 | 116.3 Ų | 116.3 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | trans | -97.8 | 100.9 | 176.7 | -158.6 | 0 | 0 | 0 | 0 | 111.7 | A394 | S392-A394 PolarHBondContact O-N 2.84Š| ||
| 393 | T | 36.4 | Very low | 57.9 | Low | 149 Ų | 149 | 117.8 Ų | 117.8 | 91% | 0.914 | 64% | 0.635 | S | S | * | * | trans | -72.9 | 54 | 169 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | N395 | T393-N395 PolarHBondContact O-N 3.42Š| ||
| 394 | A | 43.2 | Very low | 56.5 | Low | 63 Ų | 63 | 122 Ų | 122 | 52% | 0.521 | 66% | 0.655 | S | S | . | * | trans | -80.7 | 111.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | S392 T396 | S392-A394 PolarHBondContact O-N 2.84Å; A394-T396 PolarHBondContact O-N 3.49Å; A394-T396 PolarHBondContact O-OG1 2.8Å | ||
| 395 | N | 40.7 | Very low | 55.5 | Low | 165 Ų | 165 | 121 Ų | 121 | 88% | 0.882 | 65% | 0.653 | S | S | * | * | trans | -71.9 | 69 | -178.9 | -171.2 | 38 | 0 | 0 | 0 | 110.9 | T393 D397 | T393-N395 PolarHBondContact O-N 3.42Å; N395-D397 PolarHBondContact O-N 2.87Å | ||
| 396 | T | 49.5 | Very low | 54.5 | Low | 96 Ų | 96 | 118.6 Ų | 118.6 | 59% | 0.589 | 65% | 0.654 | S | S | * | * | trans | -77.7 | 112 | 177.7 | -45.9 | 0 | 0 | 0 | 0 | 108.4 | A394 Y398 | A394-T396 PolarHBondContact O-N 3.49Å; A394-T396 PolarHBondContact O-OG1 2.8Å; T396-Y398 HydrophobicContact CG2-CE2 4.45Å; T396-Y398 WeakPolarHBondContact O-CD2 3.39Å; T396-Y398 PolarHBondContact O-N 3.39Å | ||
| 397 | D | 46.9 | Very low | 54.2 | Low | 104 Ų | 104 | 120.2 Ų | 120.2 | 56% | 0.556 | 67% | 0.674 | S | S | * | * | trans | -73.1 | 85.9 | -173.1 | -170.1 | 17.4 | 0 | 0 | 0 | 111.9 | N395 R399 | N395-D397 PolarHBondContact O-N 2.87Å; D397-R399 PolarHBondContact O-N 2.98Å; D397-R399 VanDerWaalsContact OD1-CB 3.22Å; D397-R399 WeakPolarHBondContact OD1-CB 3.37Å; D397-R399 WeakPolarHBondContact OD1-CD 3.1Å; D397-R399 WeakPolarHBondContact OD1-CG 3.19Å; D397-R399 PolarHBondContact OD1-N 3.2Å | ||
| 398 | Y | 51.9 | Low | 54 | Low | 192 Ų | 192 | 116.2 Ų | 116.2 | 75% | 0.753 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 8.4 | 175.5 | -87.4 | -87.2 | 0 | 0 | 0 | 114.1 | T396 | T396-Y398 HydrophobicContact CG2-CE2 4.45Å; T396-Y398 WeakPolarHBondContact O-CD2 3.39Å; T396-Y398 PolarHBondContact O-N 3.39Å |
| 399 | R | 50.7 | Low | 54.5 | Low | 197 Ų | 197 | 117.7 Ų | 117.7 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -14.5 | -178.6 | -67.2 | 178.3 | 166.8 | -179.3 | -3.6 | 114.6 | D397 C401 | D397-R399 PolarHBondContact O-N 2.98Å; D397-R399 VanDerWaalsContact OD1-CB 3.22Å; D397-R399 WeakPolarHBondContact OD1-CB 3.37Å; D397-R399 WeakPolarHBondContact OD1-CD 3.1Å; D397-R399 WeakPolarHBondContact OD1-CG 3.19Å; D397-R399 PolarHBondContact OD1-N 3.2Å; R399-C401 PolarHBondContact O-N 3.04Å |
| 400 | T | 56.1 | Low | 55.7 | Low | 110 Ų | 110 | 116.8 Ų | 116.8 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -84.9 | 105.2 | 169.8 | 15.8 | 0 | 0 | 0 | 0 | 110.4 | V402 | T400-V402 PolarHBondContact O-N 3.38Š|
| 401 | C | 58 | Low | 57.4 | Low | 53 Ų | 53 | 109.8 Ų | 109.8 | 36% | 0.358 | 63% | 0.627 | S | S | . | * | trans | -66.9 | 100.7 | 173.6 | -164.9 | 0 | 0 | 0 | 0 | 109.8 | R399 L403 C417 | R399-C401 PolarHBondContact O-N 3.04Å; C401-L403 PolarHBondContact O-N 2.88Å; C401-L403 PolarHBondContact SG-O 2.97Å; C401-C417 HydrophobicContact CB-CB 4.41Å | ||
| 402 | V | 63.4 | Low | 58.6 | Low | 91 Ų | 91 | 110.5 Ų | 110.5 | 55% | 0.552 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -63.3 | -21.8 | -178.3 | 174.1 | 0 | 0 | 0 | 0 | 112.4 | L357 T400 | L357-V402 HydrophobicContact CD2-CB 4.48Å; L357-V402 HydrophobicContact CD2-CG1 4.1Å; T400-V402 PolarHBondContact O-N 3.38Å |
| 403 | L | 63.3 | Low | 60 | Low | 132 Ų | 132 | 110.2 Ų | 110.2 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -108.2 | 83.8 | 171.2 | -64.5 | 172.2 | 0 | 0 | 0 | 108.9 | C401 | C401-L403 PolarHBondContact O-N 2.88Å; C401-L403 PolarHBondContact SG-O 2.97Å |
| 404 | D | 63.7 | Low | 61.6 | Low | 131 Ų | 131 | 109.3 Ų | 109.3 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | trans | -75.6 | 151 | 169.6 | -174.8 | 24.6 | 0 | 0 | 0 | 110.7 | G406 | D404-G406 PolarHBondContact O-N 3.26Å; D404-G406 VanDerWaalsContact O-N 3.15Å | ||
| 405 | C | 70.6 | Confident | 62.7 | Low | 24 Ų | 24 | 107.9 Ų | 107.9 | 16% | 0.162 | 58% | 0.582 | C | S | . | * | trans | -71.1 | -1.8 | 179.1 | -92.3 | 0 | 0 | 0 | 0 | 114 | N408 C411 Q412 | C405-N408 WeakPolarHBondContact CB-O 3.22Å; C405-C411 VanDerWaalsContact CA-SG 3.55Å; C405-C411 WeakPolarHBondContact CB-SG 3.24Å; C405-C411 VanDerWaalsContact SG-CA 3.52Å; C405-C411 WeakPolarHBondContact SG-CB 3.46Å; C405-C411 CovalentContact SG-SG 2.04Å; C405-C411 PolarHBondContact SG-SG 2.04Å; C405-Q412 PolarHBondContact SG-N 3.15Å | ||
| 406 | G | 67.4 | Low | 64 | Low | 39 Ų | 39 | 106.5 Ų | 106.5 | 40% | 0.402 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 59.9 | -148.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111 | D404 N408 | D404-G406 PolarHBondContact O-N 3.26Å; D404-G406 VanDerWaalsContact O-N 3.15Å; G406-N408 PolarHBondContact O-N 3.34Å |
| 407 | P | 71.4 | Confident | 64.7 | Low | 143 Ų | 143 | 105.1 Ų | 105.1 | 93% | 0.929 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -10.3 | -176.7 | 28.3 | -34.5 | 0 | 0 | 0 | 114.5 | ||
| 408 | N | 65.3 | Low | 65.2 | Low | 97 Ų | 97 | 103.8 Ų | 103.8 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | trans | -102.5 | 96.3 | -176.2 | -173.4 | 0.1 | 0 | 0 | 0 | 111.7 | C405 G406 N410 | C405-N408 WeakPolarHBondContact CB-O 3.22Å; G406-N408 PolarHBondContact O-N 3.34Å; N408-N410 PolarHBondContact O-N 3.2Å; N408-N410 WeakPolarHBondContact OD1-CB 2.98Å; N408-N410 PolarHBondContact OD1-N 3.24Å | ||
| 409 | K | 71 | Confident | 65.4 | Low | 159 Ų | 159 | 98 Ų | 98 | 69% | 0.691 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -65.1 | -9.6 | -176.6 | -60.6 | -172.1 | 179 | -174.3 | 0 | 115.1 | C411 Q412 | K409-C411 PolarHBondContact O-N 3.16Å; K409-Q412 VanDerWaalsContact O-CB 3.24Å; K409-Q412 WeakPolarHBondContact O-CB 3.43Å; K409-Q412 PolarHBondContact O-N 3.41Å; K409-Q412 VanDerWaalsContact O-N 3.11Å |
| 410 | N | 74.7 | Confident | 65.5 | Low | 137 Ų | 137 | 93.4 Ų | 93.4 | 73% | 0.733 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -68 | -16.1 | -173.1 | -69.3 | 3.8 | 0 | 0 | 0 | 114.5 | N408 | N408-N410 PolarHBondContact O-N 3.2Å; N408-N410 WeakPolarHBondContact OD1-CB 2.98Å; N408-N410 PolarHBondContact OD1-N 3.24Å |
| 411 | C | 76.1 | Confident | 64.8 | Low | 49 Ų | 49 | 95.5 Ų | 95.5 | 33% | 0.331 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -89.2 | 3 | 173.8 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | C405 K409 S413 D414 T415 | C405-C411 VanDerWaalsContact CA-SG 3.55Å; C405-C411 WeakPolarHBondContact CB-SG 3.24Å; C405-C411 VanDerWaalsContact SG-CA 3.52Å; C405-C411 WeakPolarHBondContact SG-CB 3.46Å; C405-C411 CovalentContact SG-SG 2.04Å; C405-C411 PolarHBondContact SG-SG 2.04Å; K409-C411 PolarHBondContact O-N 3.16Å; C411-S413 PolarHBondContact O-N 3.43Å; C411-S413 VanDerWaalsContact O-N 3.16Å; C411-D414 PolarHBondContact O-N 3.36Å; C411-T415 PolarHBondContact O-N 2.78Å |
| 412 | Q | 70.7 | Confident | 64.1 | Low | 92 Ų | 92 | 98.3 Ų | 98.3 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -14.7 | -173.3 | -166.1 | 167.9 | 28.8 | 0 | 0 | 114.1 | C405 K409 | C405-Q412 PolarHBondContact SG-N 3.15Å; K409-Q412 VanDerWaalsContact O-CB 3.24Å; K409-Q412 WeakPolarHBondContact O-CB 3.43Å; K409-Q412 PolarHBondContact O-N 3.41Å; K409-Q412 VanDerWaalsContact O-N 3.11Å |
| 413 | S | 70.1 | Confident | 62.8 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 64% | 0.643 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -20.7 | 168.1 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | C411 | C411-S413 PolarHBondContact O-N 3.43Å; C411-S413 VanDerWaalsContact O-N 3.16Å |
| 414 | D | 68.5 | Low | 61.2 | Low | 130 Ų | 130 | 101.8 Ų | 101.8 | 70% | 0.695 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -3.6 | -167.5 | -58.2 | 0.7 | 0 | 0 | 0 | 111.6 | C411 | C411-D414 PolarHBondContact O-N 3.36Š|
| 415 | T | 66.6 | Low | 59.8 | Low | 32 Ų | 32 | 101 Ų | 101 | 20% | 0.196 | 60% | 0.602 | C | S | . | * | S | Bend | trans | -74.4 | 147.9 | 171 | 57.1 | 0 | 0 | 0 | 0 | 111 | C411 C417 | C411-T415 PolarHBondContact O-N 2.78Å; T415-C417 PolarHBondContact O-N 3.11Å; T415-C417 PolarHBondContact OG1-O 3.49Å |
| 416 | C | 68.1 | Low | 57.9 | Low | 136 Ų | 136 | 107.6 Ų | 107.6 | 92% | 0.919 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -63.3 | -11.7 | 174.8 | -56.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 417 | C | 64.3 | Low | 56.2 | Low | 67 Ų | 67 | 115.6 Ų | 115.6 | 45% | 0.453 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -129 | 81.7 | 176 | -62.9 | 0 | 0 | 0 | 0 | 110 | C401 T415 A419 | C401-C417 HydrophobicContact CB-CB 4.41Å; T415-C417 PolarHBondContact O-N 3.11Å; T415-C417 PolarHBondContact OG1-O 3.49Å; C417-A419 PolarHBondContact O-N 3.18Å |
| 418 | P | 57.7 | Low | 54.3 | Low | 76 Ų | 76 | 114.7 Ų | 114.7 | 49% | 0.494 | 65% | 0.646 | S | S | . | * | trans | -64.7 | 126.4 | 174.1 | 26.7 | -34 | 0 | 0 | 0 | 109.9 | S420 | P418-S420 VanDerWaalsContact C-N 3.33Å; P418-S420 PolarHBondContact O-N 3.29Å; P418-S420 PolarHBondContact O-OG 3.05Å | ||
| 419 | A | 56.5 | Low | 52.9 | Low | 71 Ų | 71 | 115 Ų | 115 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | trans | -68.6 | 84.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C417 N421 | C417-A419 PolarHBondContact O-N 3.18Å; A419-N421 PolarHBondContact O-N 3.17Å | ||
| 420 | S | 51.9 | Low | 51.1 | Low | 100 Ų | 100 | 113.3 Ų | 113.3 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | trans | -82.1 | 96.4 | 179.9 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | P418 V422 | P418-S420 VanDerWaalsContact C-N 3.33Å; P418-S420 PolarHBondContact O-N 3.29Å; P418-S420 PolarHBondContact O-OG 3.05Å; S420-V422 PolarHBondContact O-N 3.1Å; S420-V422 VanDerWaalsContact O-N 3.1Å | ||
| 421 | N | 41.4 | Very low | 49.3 | Very low | 155 Ų | 155 | 114.2 Ų | 114.2 | 83% | 0.829 | 67% | 0.666 | S | S | * | * | trans | 29.6 | 66.5 | 164.4 | -73.9 | -7.9 | 0 | 0 | 0 | 115.5 | A419 T423 | A419-N421 PolarHBondContact O-N 3.17Å; N421-T423 PolarHBondContact O-N 3.13Å | ||
| 422 | V | 42.8 | Very low | 47.2 | Very low | 111 Ų | 111 | 118.9 Ų | 118.9 | 67% | 0.673 | 69% | 0.687 | S | S | * | * | trans | -74.3 | 96.4 | 166.1 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | S420 E424 | S420-V422 PolarHBondContact O-N 3.1Å; S420-V422 VanDerWaalsContact O-N 3.1Å; V422-E424 PolarHBondContact O-N 3.02Å | ||
| 423 | T | 35.8 | Very low | 45.6 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 73% | 0.73 | 70% | 0.701 | S | S | * | * | trans | -56.6 | 136.2 | 169.7 | -42.1 | 0 | 0 | 0 | 0 | 109.5 | N421 V425 | N421-T423 PolarHBondContact O-N 3.13Å; T423-V425 PolarHBondContact O-N 2.97Å | ||
| 424 | E | 30.4 | Very low | 43.9 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | trans | -45.4 | 100.6 | -179.1 | -172 | 174.5 | -163.4 | 0 | 0 | 113.2 | V422 Q426 | V422-E424 PolarHBondContact O-N 3.02Å; E424-Q426 PolarHBondContact O-N 3.21Å | ||
| 425 | V | 34 | Very low | 42.3 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | trans | -86.3 | 106.1 | 171.4 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | T423 F427 | T423-V425 PolarHBondContact O-N 2.97Å; V425-F427 PolarHBondContact O-N 3.49Å | ||
| 426 | Q | 30.4 | Very low | 40.6 | Very low | 164 Ų | 164 | 124.1 Ų | 124.1 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | trans | -59.8 | 126 | 178.4 | -67.7 | 177.3 | -66.3 | 0 | 0 | 111.5 | E424 V428 | E424-Q426 PolarHBondContact O-N 3.21Å; Q426-V428 PolarHBondContact O-N 3.42Å | ||
| 427 | F | 31.5 | Very low | 39.1 | Very low | 206 Ų | 206 | 125.5 Ų | 125.5 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | trans | -66.6 | 119.9 | 167.7 | -90.4 | -103.2 | 0 | 0 | 0 | 110.4 | V425 | V425-F427 PolarHBondContact O-N 3.49Š| ||
| 428 | V | 33.1 | Very low | 37.6 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -102.9 | 111.7 | 163.9 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | Q426 S430 | Q426-V428 PolarHBondContact O-N 3.42Å; V428-S430 PolarHBondContact O-N 3.34Å | ||
| 429 | P | 36.1 | Very low | 36.7 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | -72.7 | 125.2 | 178.1 | 28.1 | -31.3 | 0 | 0 | 0 | 110.2 | N431 | P429-N431 PolarHBondContact O-N 3.35Å; P429-N431 VanDerWaalsContact O-N 3.13Å | ||
| 430 | S | 33 | Very low | 35.5 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -76.4 | 97.5 | 178.5 | -66.7 | 0 | 0 | 0 | 0 | 110.8 | V428 | V428-S430 PolarHBondContact O-N 3.34Š| ||
| 431 | N | 36.5 | Very low | 34.8 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | -104.1 | 123.3 | 168.9 | -87.2 | -23.5 | 0 | 0 | 0 | 111.9 | P429 | P429-N431 PolarHBondContact O-N 3.35Å; P429-N431 VanDerWaalsContact O-N 3.13Å | ||
| 432 | L | 31.5 | Very low | 34.4 | Very low | 147 Ų | 147 | 136 Ų | 136 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -59.2 | 128.4 | 178.4 | -164 | 71.1 | 0 | 0 | 0 | 112.1 | ||||
| 433 | H | 37.3 | Very low | 34 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | 156.6 | 131.2 | 125.4 | -89.4 | -76.3 | 0 | 0 | 0 | 116.1 | |||||
| 434 | S | 35.2 | Very low | 33.9 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | 69.2 | 137.5 | 144 | 63.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 435 | A | 33.5 | Very low | 34 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 60.8 | 96.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 436 | S | 32 | Very low | 34.1 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | 88 | 144 | 71.7 | 73.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 437 | Q | 35.8 | Very low | 34.2 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | trans | 92.5 | 91.5 | 167.7 | -57.6 | -173 | -5.6 | 0 | 0 | 118.4 | ||||
| 438 | N | 34.1 | Very low | 34.3 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | 74.4 | 134.3 | 116.2 | -61.9 | -10 | 0 | 0 | 0 | 121.9 | |||||
| 439 | S | 37.4 | Very low | 34.4 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | 67.7 | 144.8 | 138.8 | 51.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 440 | F | 32.3 | Very low | 34.2 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 77% | 0.772 | 74% | 0.741 | S | S | * | * | cis | -171.9 | 176.4 | -19.3 | -148 | -102.3 | 0 | 0 | 0 | 105.2 | ||||
| 441 | N | 36.2 | Very low | 34.4 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | 72.9 | 156.3 | 169.7 | -49.8 | -53.6 | 0 | 0 | 0 | 116.9 | ||||
| 442 | L | 34.2 | Very low | 34.3 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 70% | 0.696 | 73% | 0.732 | S | S | * | * | cis | -166.5 | 141.3 | -45.6 | -119.8 | 160.5 | 0 | 0 | 0 | 107.7 | ||||
| 443 | L | 33.7 | Very low | 34.3 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 73% | 0.728 | 73% | 0.731 | S | S | * | * | trans | 2.2 | 155 | 159.5 | -77.3 | 165.6 | 0 | 0 | 0 | 123.8 | ||||
| 444 | Q | 34.6 | Very low | 34.1 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | 78.7 | 138.5 | 152.8 | -76.6 | 170.5 | -58.4 | 0 | 0 | 117.2 | ||||
| 445 | N | 32.6 | Very low | 33.9 | Very low | 115 Ų | 115 | 136 Ų | 136 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | cis | -172.8 | 165.8 | 30.9 | -122 | -5.7 | 0 | 0 | 0 | 111.7 | ||||
| 446 | N | 34.5 | Very low | 34 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | trans | 63.2 | 105.7 | 145.6 | -63.3 | -1.5 | 0 | 0 | 0 | 119.9 | ||||
| 447 | T | 33.7 | Very low | 34.1 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | 80.2 | 124.7 | 70.6 | 61.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 448 | S | 33.3 | Very low | 34 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | 58 | 119.6 | 146.7 | 58.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 449 | N | 34.3 | Very low | 34.1 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | -166.7 | 152.3 | 100.5 | -98 | -29.3 | 0 | 0 | 0 | 115.4 | |||||
| 450 | T | 32.4 | Very low | 33.9 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -71.3 | 155.6 | 175.1 | 50.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 451 | S | 36.4 | Very low | 34.1 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | 170 | 137.4 | 106.3 | 53.9 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 452 | K | 35.7 | Very low | 34 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | trans | 70 | 127.7 | 137.1 | -73.4 | 174.7 | 178.9 | -179.9 | 0 | 123.3 | ||||
| 453 | N | 30.4 | Very low | 34.1 | Very low | 139 Ų | 139 | 139 Ų | 139 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 70 | 146 | 141.6 | -56.7 | 8.2 | 0 | 0 | 0 | 116.4 | ||||
| 454 | E | 34.2 | Very low | 34.1 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | cis | -145.5 | 168.9 | 36.2 | -143.2 | 146.4 | 106.9 | 0 | 0 | 113.3 | ||||
| 455 | Q | 30.8 | Very low | 34.2 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | trans | -94.4 | 151.1 | 177.2 | -65.9 | 161.8 | -99.3 | 0 | 0 | 110.6 | ||||
| 456 | D | 35 | Very low | 34.2 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | -178.4 | 134.7 | 122.1 | -99.8 | -10.6 | 0 | 0 | 0 | 116.6 | |||||
| 457 | N | 35.1 | Very low | 34.4 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 59 | 115.7 | 142 | -58.2 | -45.2 | 0 | 0 | 0 | 124.1 | ||||
| 458 | L | 32.9 | Very low | 34.6 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -66.4 | 173.3 | 148 | -112.4 | 83.8 | 0 | 0 | 0 | 111 | ||||
| 459 | P | 36.8 | Very low | 34.8 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -149 | 177.1 | 36.6 | 42.8 | -21.6 | 0 | 0 | 0 | 119.3 | ||||
| 460 | N | 32.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | 45.9 | 125.5 | 148.3 | -62.5 | 3.1 | 0 | 0 | 0 | 121.9 | ||||
| 461 | N | 37.6 | Very low | 35.5 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | -156.2 | 124.1 | 122.7 | -101.3 | -28.8 | 0 | 0 | 0 | 111.3 | |||||
| 462 | D | 33.7 | Very low | 35.9 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -79.1 | 142 | 173.5 | -63.4 | -72.7 | 0 | 0 | 0 | 111.8 | ||||
| 463 | V | 36.8 | Very low | 36.1 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -137.4 | 110 | 143.8 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 464 | H | 32 | Very low | 36.4 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -96.2 | 126.3 | 178.5 | -135.9 | -76.2 | 0 | 0 | 0 | 109.2 | ||||
| 465 | I | 38.7 | Very low | 36.5 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -132.6 | 118 | 156.8 | -58.5 | -177 | 0 | 0 | 0 | 108.4 | ||||
| 466 | N | 30.9 | Very low | 36.9 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 65% | 0.652 | 80% | 0.804 | S | S | * | * | trans | -126.8 | 121.5 | 177.4 | -174.5 | -1.8 | 0 | 0 | 0 | 107.4 | ||||
| 467 | L | 39.8 | Very low | 37 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -121.4 | 94.6 | 177.7 | -90.4 | 168.9 | 0 | 0 | 0 | 109.9 | ||||
| 468 | S | 37 | Very low | 37.1 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 62% | 0.622 | 81% | 0.811 | S | S | * | * | trans | -109 | 143.2 | 169.4 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 469 | K | 38.8 | Very low | 37.4 | Very low | 195 Ų | 195 | 141.3 Ų | 141.3 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | 63 | 114.9 | 169.4 | -63.4 | 176.3 | 175.1 | 175.7 | 0 | 118 | ||||
| 470 | I | 43.8 | Very low | 37.4 | Very low | 179 Ų | 179 | 144 Ų | 144 | 92% | 0.918 | 82% | 0.821 | S | S | * | * | -125 | 130.4 | 124.4 | -63.5 | -176.5 | 0 | 0 | 0 | 108 | |||||
| 471 | S | 37.5 | Very low | 37.8 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -134.9 | 139.2 | 173.4 | 172.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 472 | G | 43.9 | Very low | 37.8 | Very low | 68 Ų | 68 | 143.4 Ų | 143.4 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | 104 | 86.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 473 | S | 41.2 | Very low | 38.2 | Very low | 201 Ų | 201 | 144 Ų | 144 | 100% | 1.406 | 84% | 0.835 | S | S | * | * | -167.4 | 0 | 120.2 | -74.1 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 473 of 473 residues in 169.7 ms
(Link to these results)