| 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 | 46.4 | Very low | 77.9 | Confident | 213 Ų | 213 | 69 Ų | 69 | 100% | 1.049 | 38% | 0.384 | S | S | * | . | 0 | 136.9 | 0 | -63.6 | -49.2 | -170.1 | 0 | 0 | 109.5 | L5 | M1-L5 HydrophobicContact CB-CD2 4.44Å; M1-L5 HydrophobicContact CE-CD2 4.24Å; M1-L5 HydrophobicContact CG-CD2 4.21Å; M1-L5 HydrophobicContact SD-CD2 3.65Å | |||
| 2 | G | 66.5 | Low | 78.9 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 44% | 0.443 | 38% | 0.379 | S | S | . | . | trans | -98.8 | 161.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T4 L5 | G2-T4 PolarHBondContact O-N 2.65Å; G2-L5 PolarHBondContact O-N 3.19Å; G2-L5 VanDerWaalsContact O-N 3.12Å | ||
| 3 | S | 71.2 | Confident | 79.9 | Confident | 67 Ų | 67 | 68 Ų | 68 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.3 | -31.1 | -178.6 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | L5 T6 D7 | S3-L5 PolarHBondContact O-N 3.18Å; S3-T6 CarbonylContact O-C 3.57Å; S3-T6 WeakPolarHBondContact O-CA 3.36Å; S3-T6 WeakPolarHBondContact O-CB 3.47Å; S3-T6 PolarHBondContact O-N 2.95Å; S3-D7 PolarHBondContact O-N 3.3Å |
| 4 | T | 78.1 | Confident | 80.7 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 24% | 0.239 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.5 | -29.7 | 176.2 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | G2 F8 Y169 | G2-T4 PolarHBondContact O-N 2.65Å; T4-F8 VanDerWaalsContact O-CB 3.31Å; T4-F8 WeakPolarHBondContact O-CB 3.35Å; T4-F8 PolarHBondContact O-N 3Å; T4-Y169 HydrophobicContact CG2-CD2 4.4Å; T4-Y169 HydrophobicContact CG2-CG 4.31Å |
| 5 | L | 81.4 | Confident | 81.3 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 23% | 0.225 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73.2 | -44 | 172.4 | 174 | 60.1 | 0 | 0 | 0 | 111.6 | M1 G2 S3 D7 F8 M9 F170 | M1-L5 HydrophobicContact CB-CD2 4.44Å; M1-L5 HydrophobicContact CE-CD2 4.24Å; M1-L5 HydrophobicContact CG-CD2 4.21Å; M1-L5 HydrophobicContact SD-CD2 3.65Å; G2-L5 PolarHBondContact O-N 3.19Å; G2-L5 VanDerWaalsContact O-N 3.12Å; S3-L5 PolarHBondContact O-N 3.18Å; L5-D7 VanDerWaalsContact C-N 3.31Å; L5-D7 PolarHBondContact O-N 2.65Å; L5-F8 PolarHBondContact O-N 2.8Å; L5-M9 HydrophobicContact CD1-CG 3.97Å; L5-M9 HydrophobicContact CD1-SD 3.89Å; L5-M9 HydrophobicContact CG-SD 4.05Å; L5-M9 WeakPolarHBondContact O-CB 3.33Å; L5-M9 VanDerWaalsContact O-CG 3.3Å; L5-M9 WeakPolarHBondContact O-CG 3.47Å; L5-M9 PolarHBondContact O-N 3.2Å; L5-F170 HydrophobicContact CB-CE1 4.01Å; L5-F170 HydrophobicContact CB-CZ 4.02Å; L5-F170 HydrophobicContact CD1-CE1 3.8Å; L5-F170 HydrophobicContact CD1-CZ 3.56Å; L5-F170 HydrophobicContact CG-CE1 4.39Å; L5-F170 HydrophobicContact CG-CZ 4.37Å |
| 6 | T | 82.3 | Confident | 81.9 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 54% | 0.54 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 174.8 | -49.5 | 0 | 0 | 0 | 0 | 111.2 | S3 M9 K10 | S3-T6 CarbonylContact O-C 3.57Å; S3-T6 WeakPolarHBondContact O-CA 3.36Å; S3-T6 WeakPolarHBondContact O-CB 3.47Å; S3-T6 PolarHBondContact O-N 2.95Å; T6-M9 PolarHBondContact O-N 3.03Å; T6-K10 VanDerWaalsContact O-CB 3.25Å; T6-K10 WeakPolarHBondContact O-CB 3.36Å; T6-K10 PolarHBondContact O-N 2.66Å |
| 7 | D | 79.8 | Confident | 82.5 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 15% | 0.15 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 175.7 | -72.7 | -48.6 | 0 | 0 | 0 | 112.1 | S3 L5 M9 K10 N11 | S3-D7 PolarHBondContact O-N 3.3Å; L5-D7 VanDerWaalsContact C-N 3.31Å; L5-D7 PolarHBondContact O-N 2.65Å; D7-M9 PolarHBondContact O-N 2.82Å; D7-K10 PolarHBondContact O-N 3.26Å; D7-N11 WeakPolarHBondContact O-CB 3.29Å; D7-N11 PolarHBondContact O-N 2.7Å; D7-N11 PolarHBondContact O-ND2 2.8Å |
| 8 | F | 86.4 | Confident | 83 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 18% | 0.184 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 174 | 177.3 | -104.3 | 0 | 0 | 0 | 111.3 | T4 L5 N11 L12 A163 F167 F170 | T4-F8 VanDerWaalsContact O-CB 3.31Å; T4-F8 WeakPolarHBondContact O-CB 3.35Å; T4-F8 PolarHBondContact O-N 3Å; L5-F8 PolarHBondContact O-N 2.8Å; F8-N11 PolarHBondContact O-N 3.07Å; F8-L12 HydrophobicContact CE1-CD2 3.9Å; F8-L12 HydrophobicContact CZ-CD2 3.92Å; F8-L12 VanDerWaalsContact O-CB 3.23Å; F8-L12 WeakPolarHBondContact O-CB 3.17Å; F8-L12 PolarHBondContact O-N 3.11Å; F8-A163 HydrophobicContact CD2-CB 4.15Å; F8-A163 WeakPolarHBondContact CD2-O 3.37Å; F8-A163 HydrophobicContact CE2-CB 4.35Å; F8-F167 HydrophobicContact CE2-CD2 4.26Å; F8-F167 HydrophobicContact CZ-CD2 4.3Å; F8-F170 HydrophobicContact CB-CE2 3.98Å; F8-F170 HydrophobicContact CB-CZ 4.14Å; F8-F170 AromaticContact CD1-CE2 3.86Å; F8-F170 HydrophobicContact CD1-CE2 3.86Å; F8-F170 HydrophobicContact CD1-CZ 4.18Å; F8-F170 HydrophobicContact CD2-CE2 4.23Å; F8-F170 HydrophobicContact CE1-CE2 4.41Å; F8-F170 AromaticContact CG-CE2 3.76Å; F8-F170 HydrophobicContact CG-CE2 3.76Å; F8-F170 HydrophobicContact CG-CZ 4.25Å |
| 9 | M | 88.7 | Confident | 83.3 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 57% | 0.571 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63 | -45.2 | 178.2 | -70 | 177.8 | 74.6 | 0 | 0 | 112.2 | L5 T6 D7 N11 L12 S13 | L5-M9 HydrophobicContact CD1-CG 3.97Å; L5-M9 HydrophobicContact CD1-SD 3.89Å; L5-M9 HydrophobicContact CG-SD 4.05Å; L5-M9 WeakPolarHBondContact O-CB 3.33Å; L5-M9 VanDerWaalsContact O-CG 3.3Å; L5-M9 WeakPolarHBondContact O-CG 3.47Å; L5-M9 PolarHBondContact O-N 3.2Å; T6-M9 PolarHBondContact O-N 3.03Å; D7-M9 PolarHBondContact O-N 2.82Å; M9-N11 PolarHBondContact O-N 2.87Å; M9-L12 PolarHBondContact O-N 2.91Å; M9-S13 WeakPolarHBondContact O-CB 3.29Å; M9-S13 PolarHBondContact O-N 3.1Å; M9-S13 PolarHBondContact O-OG 2.95Å |
| 10 | K | 87.8 | Confident | 83.8 | Confident | 70 Ų | 70 | 62.8 Ų | 62.8 | 30% | 0.304 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 178.1 | -174 | -173.7 | 77.3 | 175.3 | 0 | 111.8 | T6 D7 S13 G14 Y765 E769 | T6-K10 VanDerWaalsContact O-CB 3.25Å; T6-K10 WeakPolarHBondContact O-CB 3.36Å; T6-K10 PolarHBondContact O-N 2.66Å; D7-K10 PolarHBondContact O-N 3.26Å; K10-S13 PolarHBondContact O-OG 3.22Å; K10-G14 PolarHBondContact O-N 3.22Å; K10-G14 VanDerWaalsContact O-N 3.14Å; K10-Y765 PolarHBondContact NZ-OH 3.2Å; K10-E769 IonicContact NZ-OE1 2.71Å; K10-E769 PolarHBondContact NZ-OE1 3.35Å |
| 11 | N | 88.6 | Confident | 84.2 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.053 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.3 | -44.3 | -179.8 | -73.7 | -71.7 | 0 | 0 | 0 | 111.2 | D7 F8 M9 S13 G14 F15 F159 N162 A163 | D7-N11 WeakPolarHBondContact O-CB 3.29Å; D7-N11 PolarHBondContact O-N 2.7Å; D7-N11 PolarHBondContact O-ND2 2.8Å; F8-N11 PolarHBondContact O-N 3.07Å; M9-N11 PolarHBondContact O-N 2.87Å; N11-S13 PolarHBondContact O-N 2.9Å; N11-G14 PolarHBondContact O-N 2.84Å; N11-F15 PolarHBondContact O-N 2.88Å; N11-F159 HydrophobicContact CB-CB 4.2Å; N11-F159 WeakPolarHBondContact CB-O 3.33Å; N11-F159 WeakPolarHBondContact O-CB 3.46Å; N11-F159 WeakPolarHBondContact OD1-CD1 3.1Å; N11-N162 HydrophobicContact CB-CB 4.5Å; N11-N162 WeakPolarHBondContact OD1-CB 3.32Å; N11-N162 PolarHBondContact OD1-ND2 3.21Å; N11-A163 HydrophobicContact CB-CB 3.95Å |
| 12 | L | 89.8 | Confident | 86.4 | Confident | 61 Ų | 61 | 53.2 Ų | 53.2 | 32% | 0.319 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 179.9 | -175.9 | 62.3 | 0 | 0 | 0 | 112.2 | F8 M9 F15 I16 | F8-L12 HydrophobicContact CE1-CD2 3.9Å; F8-L12 HydrophobicContact CZ-CD2 3.92Å; F8-L12 VanDerWaalsContact O-CB 3.23Å; F8-L12 WeakPolarHBondContact O-CB 3.17Å; F8-L12 PolarHBondContact O-N 3.11Å; M9-L12 PolarHBondContact O-N 2.91Å; L12-F15 PolarHBondContact O-N 3.07Å; L12-I16 HydrophobicContact CD1-CD1 4.05Å; L12-I16 HydrophobicContact CD1-CG1 4.43Å; L12-I16 HydrophobicContact CG-CD1 3.9Å; L12-I16 WeakPolarHBondContact O-CG1 3.48Å; L12-I16 PolarHBondContact O-N 3.38Å |
| 13 | S | 92 | Very high | 87.6 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 175.6 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | M9 K10 N11 F15 I16 V17 | M9-S13 WeakPolarHBondContact O-CB 3.29Å; M9-S13 PolarHBondContact O-N 3.1Å; M9-S13 PolarHBondContact O-OG 2.95Å; K10-S13 PolarHBondContact O-OG 3.22Å; N11-S13 PolarHBondContact O-N 2.9Å; S13-F15 VanDerWaalsContact C-N 3.31Å; S13-F15 PolarHBondContact O-N 3.13Å; S13-I16 PolarHBondContact O-N 3.01Å; S13-V17 WeakPolarHBondContact O-CB 3.26Å; S13-V17 VanDerWaalsContact O-CG2 3.29Å; S13-V17 WeakPolarHBondContact O-CG2 3.42Å; S13-V17 PolarHBondContact O-N 2.92Å |
| 14 | G | 90.3 | Very high | 88.7 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 22% | 0.216 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K10 N11 G18 | K10-G14 PolarHBondContact O-N 3.22Å; K10-G14 VanDerWaalsContact O-N 3.14Å; N11-G14 PolarHBondContact O-N 2.84Å; G14-G18 PolarHBondContact O-N 3.39Å |
| 15 | F | 89.9 | Confident | 89.2 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 15% | 0.145 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.5 | -49.5 | 174.7 | 175.8 | -113.5 | 0 | 0 | 0 | 112.5 | N11 L12 S13 G18 I19 L37 G156 F159 L160 | N11-F15 PolarHBondContact O-N 2.88Å; L12-F15 PolarHBondContact O-N 3.07Å; S13-F15 VanDerWaalsContact C-N 3.31Å; S13-F15 PolarHBondContact O-N 3.13Å; F15-G18 PolarHBondContact O-N 3.29Å; F15-I19 HydrophobicContact CD1-CD1 4.35Å; F15-I19 HydrophobicContact CD2-CD1 4.35Å; F15-I19 HydrophobicContact CE1-CD1 3.82Å; F15-I19 HydrophobicContact CE2-CD1 3.83Å; F15-I19 HydrophobicContact CZ-CD1 3.54Å; F15-I19 PolarHBondContact O-N 3.27Å; F15-I19 VanDerWaalsContact O-N 3.13Å; F15-L37 HydrophobicContact CE2-CD1 4.3Å; F15-L37 HydrophobicContact CE2-CD2 4.35Å; F15-L37 HydrophobicContact CZ-CD1 4.28Å; F15-G156 VanDerWaalsContact CD2-O 3.32Å; F15-G156 WeakPolarHBondContact CD2-O 3.49Å; F15-F159 HydrophobicContact CB-CB 4.35Å; F15-L160 HydrophobicContact CD1-CD1 4.31Å; F15-L160 HydrophobicContact CD2-CB 4.05Å; F15-L160 HydrophobicContact CE1-CD1 4.18Å; F15-L160 HydrophobicContact CE1-CD2 4.45Å; F15-L160 HydrophobicContact CE2-CB 4.2Å; F15-L160 HydrophobicContact CE2-CD2 4.01Å; F15-L160 HydrophobicContact CG-CB 4.35Å; F15-L160 HydrophobicContact CZ-CD1 4.41Å; F15-L160 HydrophobicContact CZ-CD2 3.88Å |
| 16 | I | 91.3 | Very high | 89.6 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 43% | 0.426 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | -179 | -68.1 | 167.6 | 0 | 0 | 0 | 111 | L12 S13 G18 I19 I20 | L12-I16 HydrophobicContact CD1-CD1 4.05Å; L12-I16 HydrophobicContact CD1-CG1 4.43Å; L12-I16 HydrophobicContact CG-CD1 3.9Å; L12-I16 WeakPolarHBondContact O-CG1 3.48Å; L12-I16 PolarHBondContact O-N 3.38Å; S13-I16 PolarHBondContact O-N 3.01Å; I16-G18 VanDerWaalsContact C-N 3.33Å; I16-G18 PolarHBondContact O-N 3.2Å; I16-I19 PolarHBondContact O-N 2.93Å; I16-I20 HydrophobicContact CG2-CD1 3.88Å; I16-I20 WeakPolarHBondContact O-CG1 3.49Å; I16-I20 PolarHBondContact O-N 2.73Å |
| 17 | V | 92.4 | Very high | 90 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 111 | S13 I19 I20 I21 | S13-V17 WeakPolarHBondContact O-CB 3.26Å; S13-V17 VanDerWaalsContact O-CG2 3.29Å; S13-V17 WeakPolarHBondContact O-CG2 3.42Å; S13-V17 PolarHBondContact O-N 2.92Å; V17-I19 VanDerWaalsContact C-N 3.33Å; V17-I19 PolarHBondContact O-N 3.37Å; V17-I20 PolarHBondContact O-N 3.15Å; V17-I21 HydrophobicContact CG1-CD1 3.75Å; V17-I21 HydrophobicContact CG1-CG1 4.28Å; V17-I21 WeakPolarHBondContact O-CG1 3.3Å; V17-I21 PolarHBondContact O-N 3.31Å |
| 18 | G | 90.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 60 Ų | 60 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.5 | -41 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G14 F15 I16 N22 | G14-G18 PolarHBondContact O-N 3.39Å; F15-G18 PolarHBondContact O-N 3.29Å; I16-G18 VanDerWaalsContact C-N 3.33Å; I16-G18 PolarHBondContact O-N 3.2Å; G18-N22 PolarHBondContact O-N 2.76Å; G18-N22 VanDerWaalsContact O-N 3.1Å; G18-N22 PolarHBondContact O-ND2 3.08Å; G18-N22 PolarHBondContact O-OD1 3.09Å |
| 19 | I | 90.1 | Very high | 90.8 | Very high | 47 Ų | 47 | 58 Ų | 58 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 174.9 | -68.4 | 172.9 | 0 | 0 | 0 | 111.3 | F15 I16 V17 I21 N22 F23 L37 | F15-I19 HydrophobicContact CD1-CD1 4.35Å; F15-I19 HydrophobicContact CD2-CD1 4.35Å; F15-I19 HydrophobicContact CE1-CD1 3.82Å; F15-I19 HydrophobicContact CE2-CD1 3.83Å; F15-I19 HydrophobicContact CZ-CD1 3.54Å; F15-I19 PolarHBondContact O-N 3.27Å; F15-I19 VanDerWaalsContact O-N 3.13Å; I16-I19 PolarHBondContact O-N 2.93Å; V17-I19 VanDerWaalsContact C-N 3.33Å; V17-I19 PolarHBondContact O-N 3.37Å; I19-I21 PolarHBondContact O-N 2.97Å; I19-N22 WeakPolarHBondContact O-CB 3.45Å; I19-N22 PolarHBondContact O-N 3.05Å; I19-N22 VanDerWaalsContact O-N 3.15Å; I19-F23 HydrophobicContact CG2-CD2 3.82Å; I19-F23 HydrophobicContact CG2-CE2 3.84Å; I19-F23 WeakPolarHBondContact O-CD2 3.37Å; I19-F23 PolarHBondContact O-N 3.05Å; I19-F23 VanDerWaalsContact O-N 3.09Å; I19-L37 HydrophobicContact CD1-CD1 4.17Å |
| 20 | I | 92.8 | Very high | 90.9 | Very high | 106 Ų | 106 | 52.5 Ų | 52.5 | 54% | 0.544 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | 179 | -67.2 | 166.2 | 0 | 0 | 0 | 110.7 | I16 V17 N22 F23 A24 | I16-I20 HydrophobicContact CG2-CD1 3.88Å; I16-I20 WeakPolarHBondContact O-CG1 3.49Å; I16-I20 PolarHBondContact O-N 2.73Å; V17-I20 PolarHBondContact O-N 3.15Å; I20-N22 VanDerWaalsContact C-N 3.28Å; I20-N22 PolarHBondContact O-N 2.85Å; I20-F23 PolarHBondContact O-N 3.29Å; I20-A24 WeakPolarHBondContact O-CB 3.47Å; I20-A24 PolarHBondContact O-N 3.18Å |
| 21 | I | 92.8 | Very high | 91 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 176.3 | -65.8 | 166.9 | 0 | 0 | 0 | 110.4 | V17 I19 F23 A24 V25 T148 N152 | V17-I21 HydrophobicContact CG1-CD1 3.75Å; V17-I21 HydrophobicContact CG1-CG1 4.28Å; V17-I21 WeakPolarHBondContact O-CG1 3.3Å; V17-I21 PolarHBondContact O-N 3.31Å; I19-I21 PolarHBondContact O-N 2.97Å; I21-F23 PolarHBondContact O-N 3.49Å; I21-A24 PolarHBondContact O-N 3.15Å; I21-V25 HydrophobicContact CG2-CG2 3.88Å; I21-V25 VanDerWaalsContact O-CB 3.29Å; I21-V25 WeakPolarHBondContact O-CB 3.43Å; I21-V25 VanDerWaalsContact O-CG2 3.26Å; I21-V25 WeakPolarHBondContact O-CG2 3.21Å; I21-V25 PolarHBondContact O-N 3.3Å; I21-T148 HydrophobicContact CG2-CG2 4.26Å; I21-N152 VanDerWaalsContact CG2-ND2 3.3Å; I21-N152 WeakPolarHBondContact CG2-ND2 3.31Å |
| 22 | N | 91.2 | Very high | 91.1 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | -179.3 | -69 | -7.9 | 0 | 0 | 0 | 113.1 | G18 I19 I20 G26 A30 I149 N152 | G18-N22 PolarHBondContact O-N 2.76Å; G18-N22 VanDerWaalsContact O-N 3.1Å; G18-N22 PolarHBondContact O-ND2 3.08Å; G18-N22 PolarHBondContact O-OD1 3.09Å; I19-N22 WeakPolarHBondContact O-CB 3.45Å; I19-N22 PolarHBondContact O-N 3.05Å; I19-N22 VanDerWaalsContact O-N 3.15Å; I20-N22 VanDerWaalsContact C-N 3.28Å; I20-N22 PolarHBondContact O-N 2.85Å; N22-G26 PolarHBondContact O-N 3.05Å; N22-A30 HydrophobicContact CB-CB 3.94Å; N22-A30 WeakPolarHBondContact O-CB 3.31Å; N22-I149 HydrophobicContact CB-CG1 4.13Å; N22-I149 HydrophobicContact CB-CG2 4.4Å; N22-I149 WeakPolarHBondContact OD1-CA 3.43Å; N22-N152 WeakPolarHBondContact OD1-CB 3.29Å; N22-N152 PolarHBondContact OD1-ND2 2.98Å |
| 23 | F | 93.1 | Very high | 91.1 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 37% | 0.368 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 175.9 | -83.6 | -76.7 | 0 | 0 | 0 | 112.5 | I19 I20 I21 W27 A30 L31 | I19-F23 HydrophobicContact CG2-CD2 3.82Å; I19-F23 HydrophobicContact CG2-CE2 3.84Å; I19-F23 WeakPolarHBondContact O-CD2 3.37Å; I19-F23 PolarHBondContact O-N 3.05Å; I19-F23 VanDerWaalsContact O-N 3.09Å; I20-F23 PolarHBondContact O-N 3.29Å; I21-F23 PolarHBondContact O-N 3.49Å; F23-W27 HydrophobicContact CD1-CB 4.02Å; F23-W27 PolarHBondContact O-N 2.84Å; F23-A30 HydrophobicContact CD1-CB 4.07Å; F23-A30 HydrophobicContact CD2-CB 4.38Å; F23-A30 HydrophobicContact CE1-CB 4.23Å; F23-A30 HydrophobicContact CG-CB 4.15Å; F23-A30 HydrophobicContact CZ-CB 4.46Å; F23-L31 HydrophobicContact CE1-CD2 3.95Å; F23-L31 HydrophobicContact CE1-CG 4.2Å; F23-L31 HydrophobicContact CZ-CD2 4.13Å |
| 24 | A | 92.5 | Very high | 90.9 | Very high | 88 Ų | 88 | 50.6 Ų | 50.6 | 73% | 0.727 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -68.7 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I20 I21 | I20-A24 WeakPolarHBondContact O-CB 3.47Å; I20-A24 PolarHBondContact O-N 3.18Å; I21-A24 PolarHBondContact O-N 3.15Å |
| 25 | V | 90.1 | Very high | 90.8 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.8 | -32 | 179.6 | 168 | 0 | 0 | 0 | 0 | 112 | I21 A145 T148 I149 | I21-V25 HydrophobicContact CG2-CG2 3.88Å; I21-V25 VanDerWaalsContact O-CB 3.29Å; I21-V25 WeakPolarHBondContact O-CB 3.43Å; I21-V25 VanDerWaalsContact O-CG2 3.26Å; I21-V25 WeakPolarHBondContact O-CG2 3.21Å; I21-V25 PolarHBondContact O-N 3.3Å; V25-A145 VanDerWaalsContact CG1-CA 3.49Å; V25-A145 HydrophobicContact CG1-CB 3.5Å; V25-T148 HydrophobicContact CG2-CG2 4.31Å; V25-I149 HydrophobicContact CB-CG1 4.47Å; V25-I149 HydrophobicContact CG1-CD1 4.17Å; V25-I149 HydrophobicContact CG1-CG1 4.15Å |
| 26 | G | 88.6 | Confident | 90.5 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | 171 | 97.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N22 K28 L29 A30 Y141 | N22-G26 PolarHBondContact O-N 3.05Å; G26-K28 VanDerWaalsContact C-N 3.28Å; G26-K28 PolarHBondContact O-N 3.31Å; G26-L29 PolarHBondContact O-N 3.32Å; G26-A30 PolarHBondContact O-N 3.22Å; G26-Y141 WeakPolarHBondContact CA-OH 3.44Å; G26-Y141 PolarHBondContact O-OH 3.12Å |
| 27 | W | 90.9 | Very high | 90.1 | Very high | 149 Ų | 149 | 49.3 Ų | 49.3 | 56% | 0.564 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -45.2 | -36.2 | -174.7 | 71.2 | -89.1 | 0 | 0 | 0 | 117 | F23 A30 L31 | F23-W27 HydrophobicContact CD1-CB 4.02Å; F23-W27 PolarHBondContact O-N 2.84Å; W27-A30 PolarHBondContact O-N 3.21Å; W27-L31 HydrophobicContact CE3-CD1 3.6Å; W27-L31 HydrophobicContact CE3-CG 4.39Å; W27-L31 HydrophobicContact CZ3-CD1 3.73Å; W27-L31 WeakPolarHBondContact O-CG 3.41Å; W27-L31 PolarHBondContact O-N 2.94Å |
| 28 | K | 92.1 | Very high | 89.7 | Confident | 58 Ų | 58 | 50 Ų | 50 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -48 | -177.5 | -70.3 | -175.9 | 179.7 | 175.2 | 0 | 113.2 | G26 L135 E139 | G26-K28 VanDerWaalsContact C-N 3.28Å; G26-K28 PolarHBondContact O-N 3.31Å; K28-L135 HydrophobicContact CB-CD1 4.26Å; K28-L135 HydrophobicContact CD-CD2 4.35Å; K28-E139 WeakPolarHBondContact CD-OE2 3.31Å; K28-E139 WeakPolarHBondContact CE-OE2 3.49Å; K28-E139 IonicContact NZ-OE1 2.95Å; K28-E139 PolarHBondContact NZ-OE1 3.34Å; K28-E139 IonicContact NZ-OE2 2.73Å; K28-E139 PolarHBondContact NZ-OE2 3.28Å |
| 29 | L | 90.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75 | -32.3 | 176.3 | -174.2 | 64.6 | 0 | 0 | 0 | 111.1 | G26 L31 V32 A33 L128 Y131 L135 Y141 I146 I149 | G26-L29 PolarHBondContact O-N 3.32Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 2.8Å; L29-V32 PolarHBondContact O-N 2.84Å; L29-A33 PolarHBondContact O-N 2.97Å; L29-L128 HydrophobicContact CD1-CD2 3.97Å; L29-L128 HydrophobicContact CG-CD2 4.45Å; L29-Y131 HydrophobicContact CD1-CD1 3.88Å; L29-L135 HydrophobicContact CB-CD1 4.13Å; L29-Y141 WeakPolarHBondContact CB-OH 3.49Å; L29-Y141 HydrophobicContact CD2-CE1 4.42Å; L29-I146 HydrophobicContact CD2-CB 4.15Å; L29-I146 HydrophobicContact CD2-CG1 3.93Å; L29-I146 HydrophobicContact CD2-CG2 4.14Å; L29-I149 HydrophobicContact CB-CD1 4.03Å; L29-I149 HydrophobicContact CD2-CB 4.11Å; L29-I149 HydrophobicContact CD2-CD1 4.14Å; L29-I149 HydrophobicContact CD2-CG2 4.06Å; L29-I149 HydrophobicContact CG-CD1 4.39Å; L29-I149 HydrophobicContact CG-CG2 3.98Å |
| 30 | A | 91.1 | Very high | 89 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N22 F23 G26 W27 A33 C34 | N22-A30 HydrophobicContact CB-CB 3.94Å; N22-A30 WeakPolarHBondContact O-CB 3.31Å; F23-A30 HydrophobicContact CD1-CB 4.07Å; F23-A30 HydrophobicContact CD2-CB 4.38Å; F23-A30 HydrophobicContact CE1-CB 4.23Å; F23-A30 HydrophobicContact CG-CB 4.15Å; F23-A30 HydrophobicContact CZ-CB 4.46Å; G26-A30 PolarHBondContact O-N 3.22Å; W27-A30 PolarHBondContact O-N 3.21Å; A30-A33 WeakPolarHBondContact O-CB 3.19Å; A30-A33 PolarHBondContact O-N 2.99Å; A30-C34 WeakPolarHBondContact O-CB 3.46Å; A30-C34 PolarHBondContact O-N 2.89Å; A30-C34 PolarHBondContact O-SG 2.91Å |
| 31 | L | 91.1 | Very high | 88.4 | Confident | 88 Ų | 88 | 49.1 Ų | 49.1 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 172.8 | -76.5 | 177.1 | 0 | 0 | 0 | 112.3 | F23 W27 L29 A33 C34 A35 | F23-L31 HydrophobicContact CE1-CD2 3.95Å; F23-L31 HydrophobicContact CE1-CG 4.2Å; F23-L31 HydrophobicContact CZ-CD2 4.13Å; W27-L31 HydrophobicContact CE3-CD1 3.6Å; W27-L31 HydrophobicContact CE3-CG 4.39Å; W27-L31 HydrophobicContact CZ3-CD1 3.73Å; W27-L31 WeakPolarHBondContact O-CG 3.41Å; W27-L31 PolarHBondContact O-N 2.94Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 2.8Å; L31-A33 VanDerWaalsContact C-N 3.33Å; L31-C34 PolarHBondContact O-N 2.96Å; L31-A35 PolarHBondContact O-N 2.95Å |
| 32 | V | 90.9 | Very high | 88 | Confident | 35 Ų | 35 | 49 Ų | 49 | 21% | 0.212 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 176 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | L29 A35 I36 I127 L128 Y131 | L29-V32 PolarHBondContact O-N 2.84Å; V32-A35 PolarHBondContact O-N 3.33Å; V32-I36 WeakPolarHBondContact O-CG1 3.34Å; V32-I36 PolarHBondContact O-N 3Å; V32-I127 HydrophobicContact CG1-CG2 4.19Å; V32-L128 HydrophobicContact CG1-CD2 4.25Å; V32-Y131 HydrophobicContact CB-CD1 4.29Å; V32-Y131 HydrophobicContact CG2-CD1 3.66Å; V32-Y131 HydrophobicContact CG2-CE1 3.57Å; V32-Y131 HydrophobicContact CG2-CG 4.17Å |
| 33 | A | 88.3 | Confident | 87.7 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L29 A30 L31 A35 I36 L37 L128 I149 V153 | L29-A33 PolarHBondContact O-N 2.97Å; A30-A33 WeakPolarHBondContact O-CB 3.19Å; A30-A33 PolarHBondContact O-N 2.99Å; L31-A33 VanDerWaalsContact C-N 3.33Å; A33-A35 VanDerWaalsContact C-N 3.28Å; A33-A35 PolarHBondContact O-N 2.83Å; A33-I36 WeakPolarHBondContact O-CB 3.45Å; A33-I36 PolarHBondContact O-N 3.27Å; A33-L37 PolarHBondContact O-N 2.81Å; A33-L128 HydrophobicContact CB-CD2 3.94Å; A33-I149 HydrophobicContact CB-CG2 4.45Å; A33-V153 HydrophobicContact CB-CG2 3.43Å; A33-V153 VanDerWaalsContact CB-CG2 3.43Å |
| 34 | C | 87.5 | Confident | 87 | Confident | 38 Ų | 38 | 48.5 Ų | 48.5 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -32 | 177.9 | -73.7 | 0 | 0 | 0 | 0 | 112.5 | A30 L31 I36 L37 P38 | A30-C34 WeakPolarHBondContact O-CB 3.46Å; A30-C34 PolarHBondContact O-N 2.89Å; A30-C34 PolarHBondContact O-SG 2.91Å; L31-C34 PolarHBondContact O-N 2.96Å; C34-I36 PolarHBondContact O-N 2.85Å; C34-L37 PolarHBondContact O-N 3Å; C34-P38 WeakPolarHBondContact O-CD 3.41Å |
| 35 | A | 88.2 | Confident | 86.4 | Confident | 66 Ų | 66 | 46.6 Ų | 46.6 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.3 | -22.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L31 V32 A33 | L31-A35 PolarHBondContact O-N 2.95Å; V32-A35 PolarHBondContact O-N 3.33Å; A33-A35 VanDerWaalsContact C-N 3.28Å; A33-A35 PolarHBondContact O-N 2.83Å |
| 36 | I | 85.2 | Confident | 86.2 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -85 | -28.3 | 177 | -63.7 | 163.4 | 0 | 0 | 0 | 111.6 | V32 A33 C34 I39 I40 I127 L128 | V32-I36 WeakPolarHBondContact O-CG1 3.34Å; V32-I36 PolarHBondContact O-N 3Å; A33-I36 WeakPolarHBondContact O-CB 3.45Å; A33-I36 PolarHBondContact O-N 3.27Å; C34-I36 PolarHBondContact O-N 2.85Å; I36-I39 WeakPolarHBondContact O-CB 3.1Å; I36-I39 PolarHBondContact O-N 3.36Å; I36-I40 HydrophobicContact CG2-CD1 3.89Å; I36-I40 HydrophobicContact CG2-CG1 4.22Å; I36-I40 PolarHBondContact O-N 3.07Å; I36-I40 VanDerWaalsContact O-N 3.16Å; I36-I127 HydrophobicContact CD1-CG2 4.31Å; I36-L128 HydrophobicContact CD1-CD1 4.36Å; I36-L128 HydrophobicContact CD1-CD2 4.28Å; I36-L128 HydrophobicContact CD1-CG 3.99Å |
| 37 | L | 82.4 | Confident | 85.8 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.5 | -41.4 | -177.7 | -66.5 | 176.7 | 0 | 0 | 0 | 113.9 | F15 I19 A33 C34 I39 I40 G41 | F15-L37 HydrophobicContact CE2-CD1 4.3Å; F15-L37 HydrophobicContact CE2-CD2 4.35Å; F15-L37 HydrophobicContact CZ-CD1 4.28Å; I19-L37 HydrophobicContact CD1-CD1 4.17Å; A33-L37 PolarHBondContact O-N 2.81Å; C34-L37 PolarHBondContact O-N 3Å; L37-I39 VanDerWaalsContact C-N 3.28Å; L37-I39 PolarHBondContact O-N 3.07Å; L37-I40 PolarHBondContact O-N 2.93Å; L37-G41 PolarHBondContact O-N 2.98Å |
| 38 | P | 84.9 | Confident | 85.3 | Confident | 89 Ų | 89 | 44.7 Ų | 44.7 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.9 | -34.3 | 172.4 | -27.9 | 35.3 | 0 | 0 | 0 | 114.2 | C34 G41 A42 | C34-P38 WeakPolarHBondContact O-CD 3.41Å; P38-G41 PolarHBondContact O-N 3.25Å; P38-A42 WeakPolarHBondContact O-CB 3.2Å; P38-A42 PolarHBondContact O-N 2.8Å |
| 39 | I | 84.8 | Confident | 85 | Confident | 98 Ų | 98 | 48.9 Ų | 48.9 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.1 | -46.1 | 178.5 | -53.6 | 176.5 | 0 | 0 | 0 | 109.6 | I36 L37 G41 A42 V43 T120 | I36-I39 WeakPolarHBondContact O-CB 3.1Å; I36-I39 PolarHBondContact O-N 3.36Å; L37-I39 VanDerWaalsContact C-N 3.28Å; L37-I39 PolarHBondContact O-N 3.07Å; I39-G41 VanDerWaalsContact C-N 3.34Å; I39-G41 PolarHBondContact O-N 2.85Å; I39-A42 PolarHBondContact O-N 2.83Å; I39-V43 WeakPolarHBondContact O-CG2 3.26Å; I39-V43 PolarHBondContact O-N 2.82Å; I39-V43 VanDerWaalsContact O-N 3.09Å; I39-T120 HydrophobicContact CG2-CG2 4.28Å |
| 40 | I | 80.4 | Confident | 84.9 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 174.1 | -66 | 170.5 | 0 | 0 | 0 | 110.2 | I36 L37 A42 V43 F44 T120 | I36-I40 HydrophobicContact CG2-CD1 3.89Å; I36-I40 HydrophobicContact CG2-CG1 4.22Å; I36-I40 PolarHBondContact O-N 3.07Å; I36-I40 VanDerWaalsContact O-N 3.16Å; L37-I40 PolarHBondContact O-N 2.93Å; I40-A42 PolarHBondContact O-N 3.34Å; I40-V43 PolarHBondContact O-N 2.98Å; I40-F44 HydrophobicContact CG2-CD2 3.74Å; I40-F44 HydrophobicContact CG2-CE2 3.7Å; I40-F44 WeakPolarHBondContact O-CD2 3.35Å; I40-F44 PolarHBondContact O-N 3.05Å; I40-T120 HydrophobicContact CG1-CG2 3.67Å |
| 41 | G | 80 | Confident | 84.5 | Confident | 32 Ų | 32 | 53.1 Ų | 53.1 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L37 P38 I39 F44 G45 | L37-G41 PolarHBondContact O-N 2.98Å; P38-G41 PolarHBondContact O-N 3.25Å; I39-G41 VanDerWaalsContact C-N 3.34Å; I39-G41 PolarHBondContact O-N 2.85Å; G41-F44 PolarHBondContact O-N 2.83Å; G41-G45 PolarHBondContact O-N 3.35Å |
| 42 | A | 85.1 | Confident | 84.2 | Confident | 64 Ų | 64 | 56.9 Ų | 56.9 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P38 I39 I40 G45 C46 | P38-A42 WeakPolarHBondContact O-CB 3.2Å; P38-A42 PolarHBondContact O-N 2.8Å; I39-A42 PolarHBondContact O-N 2.83Å; I40-A42 PolarHBondContact O-N 3.34Å; A42-G45 PolarHBondContact O-N 3.43Å; A42-C46 VanDerWaalsContact O-CB 3.26Å; A42-C46 WeakPolarHBondContact O-CB 3.44Å; A42-C46 PolarHBondContact O-N 2.86Å |
| 43 | V | 83.5 | Confident | 84.2 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | 175 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | I39 I40 C46 F47 V113 T116 I117 | I39-V43 WeakPolarHBondContact O-CG2 3.26Å; I39-V43 PolarHBondContact O-N 2.82Å; I39-V43 VanDerWaalsContact O-N 3.09Å; I40-V43 PolarHBondContact O-N 2.98Å; V43-C46 PolarHBondContact O-N 3.07Å; V43-F47 PolarHBondContact O-N 3.14Å; V43-V113 HydrophobicContact CG1-CG1 4.37Å; V43-T116 HydrophobicContact CB-CG2 4.47Å; V43-T116 HydrophobicContact CG1-CG2 3.78Å; V43-T116 HydrophobicContact CG2-CG2 3.74Å; V43-I117 HydrophobicContact CG1-CG1 3.57Å |
| 44 | F | 79 | Confident | 84.3 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 25% | 0.254 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.1 | -32.4 | 175.1 | -80.1 | -68.9 | 0 | 0 | 0 | 113.6 | I40 G41 F47 G48 I117 | I40-F44 HydrophobicContact CG2-CD2 3.74Å; I40-F44 HydrophobicContact CG2-CE2 3.7Å; I40-F44 WeakPolarHBondContact O-CD2 3.35Å; I40-F44 PolarHBondContact O-N 3.05Å; G41-F44 PolarHBondContact O-N 2.83Å; F44-F47 WeakPolarHBondContact O-CB 2.94Å; F44-F47 PolarHBondContact O-N 3.36Å; F44-G48 PolarHBondContact O-N 2.73Å; F44-I117 HydrophobicContact CD1-CD1 4.18Å; F44-I117 HydrophobicContact CE1-CD1 3.73Å; F44-I117 HydrophobicContact CE1-CG1 4.44Å; F44-I117 HydrophobicContact CZ-CD1 4.13Å; F44-I117 HydrophobicContact CZ-CG1 4.43Å; F44-I117 HydrophobicContact CZ-CG2 4.19Å |
| 45 | G | 80.7 | Confident | 84.3 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | G41 A42 F47 G48 F49 | G41-G45 PolarHBondContact O-N 3.35Å; A42-G45 PolarHBondContact O-N 3.43Å; G45-F47 VanDerWaalsContact C-N 3.34Å; G45-F47 PolarHBondContact O-N 3.3Å; G45-G48 PolarHBondContact O-N 3.35Å; G45-F49 PolarHBondContact O-N 2.79Å; G45-F49 VanDerWaalsContact O-N 3.13Å |
| 46 | C | 84.2 | Confident | 84.4 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 43% | 0.432 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 174.7 | -167.4 | 0 | 0 | 0 | 0 | 111.7 | A42 V43 G48 F49 L50 | A42-C46 VanDerWaalsContact O-CB 3.26Å; A42-C46 WeakPolarHBondContact O-CB 3.44Å; A42-C46 PolarHBondContact O-N 2.86Å; V43-C46 PolarHBondContact O-N 3.07Å; C46-G48 PolarHBondContact O-N 3.28Å; C46-F49 PolarHBondContact O-N 3.44Å; C46-L50 WeakPolarHBondContact O-CB 3.31Å; C46-L50 VanDerWaalsContact O-CG 3.32Å; C46-L50 WeakPolarHBondContact O-CG 3.41Å; C46-L50 PolarHBondContact O-N 3.07Å; C46-L50 VanDerWaalsContact SG-CD1 3.51Å |
| 47 | F | 81.9 | Confident | 84.7 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 33% | 0.333 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -51.7 | -55.2 | 171.8 | -179.9 | -115.4 | 0 | 0 | 0 | 111.9 | V43 F44 G45 F49 L50 M51 V113 | V43-F47 PolarHBondContact O-N 3.14Å; F44-F47 WeakPolarHBondContact O-CB 2.94Å; F44-F47 PolarHBondContact O-N 3.36Å; G45-F47 VanDerWaalsContact C-N 3.34Å; G45-F47 PolarHBondContact O-N 3.3Å; F47-F49 PolarHBondContact O-N 3.21Å; F47-L50 PolarHBondContact O-N 3.16Å; F47-M51 HydrophobicContact CD2-CG 3.74Å; F47-M51 HydrophobicContact CE1-CG 4.46Å; F47-M51 HydrophobicContact CE2-CG 3.49Å; F47-M51 VanDerWaalsContact CE2-CG 3.49Å; F47-M51 HydrophobicContact CE2-SD 4.14Å; F47-M51 HydrophobicContact CG-CG 4.35Å; F47-M51 HydrophobicContact CZ-CG 3.89Å; F47-M51 VanDerWaalsContact O-CB 3.27Å; F47-M51 WeakPolarHBondContact O-CB 3.26Å; F47-M51 VanDerWaalsContact O-CG 3.27Å; F47-M51 WeakPolarHBondContact O-CG 3.41Å; F47-M51 PolarHBondContact O-N 2.85Å; F47-V113 HydrophobicContact CB-CG1 3.65Å; F47-V113 HydrophobicContact CD2-CB 4.06Å; F47-V113 HydrophobicContact CD2-CG1 3.63Å; F47-V113 HydrophobicContact CG-CG1 4.05Å |
| 48 | G | 79.4 | Confident | 85.1 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 42% | 0.423 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F44 G45 C46 K52 | F44-G48 PolarHBondContact O-N 2.73Å; G45-G48 PolarHBondContact O-N 3.35Å; C46-G48 PolarHBondContact O-N 3.28Å; G48-K52 VanDerWaalsContact O-CB 3.3Å; G48-K52 WeakPolarHBondContact O-CB 3.36Å; G48-K52 PolarHBondContact O-N 2.73Å |
| 49 | F | 86.8 | Confident | 85.3 | Confident | 146 Ų | 146 | 70.6 Ų | 70.6 | 64% | 0.64 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.5 | -50.5 | 178.5 | -178.1 | -94.7 | 0 | 0 | 0 | 112.3 | G45 C46 F47 K52 Y53 | G45-F49 PolarHBondContact O-N 2.79Å; G45-F49 VanDerWaalsContact O-N 3.13Å; C46-F49 PolarHBondContact O-N 3.44Å; F47-F49 PolarHBondContact O-N 3.21Å; F49-K52 PolarHBondContact O-N 2.83Å; F49-Y53 PolarHBondContact O-N 3.25Å |
| 50 | L | 87.6 | Confident | 85.7 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | -178 | -69.4 | 173.8 | 0 | 0 | 0 | 111.8 | C46 F47 K52 Y53 F54 T109 V113 | C46-L50 WeakPolarHBondContact O-CB 3.31Å; C46-L50 VanDerWaalsContact O-CG 3.32Å; C46-L50 WeakPolarHBondContact O-CG 3.41Å; C46-L50 PolarHBondContact O-N 3.07Å; C46-L50 VanDerWaalsContact SG-CD1 3.51Å; F47-L50 PolarHBondContact O-N 3.16Å; L50-K52 VanDerWaalsContact C-N 3.33Å; L50-K52 PolarHBondContact O-N 3.04Å; L50-Y53 PolarHBondContact O-N 2.84Å; L50-F54 HydrophobicContact CD2-CE2 4.29Å; L50-F54 VanDerWaalsContact O-CD2 3.28Å; L50-F54 WeakPolarHBondContact O-CD2 3.4Å; L50-F54 PolarHBondContact O-N 2.65Å; L50-T109 HydrophobicContact CB-CG2 3.79Å; L50-T109 HydrophobicContact CD1-CG2 3.75Å; L50-T109 HydrophobicContact CG-CG2 4.25Å; L50-V113 HydrophobicContact CD1-CG2 4.24Å |
| 51 | M | 81.9 | Confident | 86.2 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 22% | 0.217 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 177.4 | -72.9 | -62.3 | -70.1 | 0 | 0 | 112.2 | F47 T55 | F47-M51 HydrophobicContact CD2-CG 3.74Å; F47-M51 HydrophobicContact CE1-CG 4.46Å; F47-M51 HydrophobicContact CE2-CG 3.49Å; F47-M51 VanDerWaalsContact CE2-CG 3.49Å; F47-M51 HydrophobicContact CE2-SD 4.14Å; F47-M51 HydrophobicContact CG-CG 4.35Å; F47-M51 HydrophobicContact CZ-CG 3.89Å; F47-M51 VanDerWaalsContact O-CB 3.27Å; F47-M51 WeakPolarHBondContact O-CB 3.26Å; F47-M51 VanDerWaalsContact O-CG 3.27Å; F47-M51 WeakPolarHBondContact O-CG 3.41Å; F47-M51 PolarHBondContact O-N 2.85Å; M51-T55 WeakPolarHBondContact O-CB 3.23Å; M51-T55 PolarHBondContact O-N 3.36Å; M51-T55 PolarHBondContact O-OG1 3.08Å |
| 52 | K | 84.8 | Confident | 86.7 | Confident | 167 Ų | 167 | 69.1 Ų | 69.1 | 73% | 0.726 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.7 | -50.7 | 172.8 | -177.6 | 177.7 | 179.5 | 178.5 | 0 | 111.2 | G48 F49 L50 H56 | G48-K52 VanDerWaalsContact O-CB 3.3Å; G48-K52 WeakPolarHBondContact O-CB 3.36Å; G48-K52 PolarHBondContact O-N 2.73Å; F49-K52 PolarHBondContact O-N 2.83Å; L50-K52 VanDerWaalsContact C-N 3.33Å; L50-K52 PolarHBondContact O-N 3.04Å; K52-H56 WeakPolarHBondContact O-CB 3.44Å; K52-H56 PolarHBondContact O-N 3.2Å; K52-H56 VanDerWaalsContact O-N 3.08Å |
| 53 | Y | 91.2 | Very high | 87 | Confident | 117 Ų | 117 | 68.9 Ų | 68.9 | 46% | 0.459 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -52 | -179.7 | 178.5 | -94.3 | 0 | 0 | 0 | 112.3 | F49 L50 H56 K57 | F49-Y53 PolarHBondContact O-N 3.25Å; L50-Y53 PolarHBondContact O-N 2.84Å; Y53-H56 PolarHBondContact O-N 3.38Å; Y53-K57 HydrophobicContact CE1-CD 4.1Å; Y53-K57 WeakPolarHBondContact O-CB 3.42Å; Y53-K57 PolarHBondContact O-N 3.01Å; Y53-K57 PolarHBondContact OH-NZ 2.96Å |
| 54 | F | 90.2 | Very high | 87.3 | Confident | 32 Ų | 32 | 74.9 Ų | 74.9 | 14% | 0.14 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.5 | -34.7 | -176.5 | -74.7 | -65.4 | 0 | 0 | 0 | 113.4 | L50 K57 E58 K105 K106 T109 | L50-F54 HydrophobicContact CD2-CE2 4.29Å; L50-F54 VanDerWaalsContact O-CD2 3.28Å; L50-F54 WeakPolarHBondContact O-CD2 3.4Å; L50-F54 PolarHBondContact O-N 2.65Å; F54-K57 PolarHBondContact O-N 2.71Å; F54-E58 WeakPolarHBondContact O-CB 3.43Å; F54-E58 PolarHBondContact O-N 2.96Å; F54-K105 HydrophobicContact CD1-CB 4.04Å; F54-K105 HydrophobicContact CE1-CB 3.83Å; F54-K106 HydrophobicContact CB-CB 3.81Å; F54-K106 HydrophobicContact CB-CG 4.11Å; F54-T109 HydrophobicContact CD2-CG2 4.09Å; F54-T109 HydrophobicContact CE2-CG2 3.96Å; F54-T109 WeakPolarHBondContact CE2-OG1 3.48Å |
| 55 | T | 87.7 | Confident | 87.9 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 175.3 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | M51 T59 K106 | M51-T55 WeakPolarHBondContact O-CB 3.23Å; M51-T55 PolarHBondContact O-N 3.36Å; M51-T55 PolarHBondContact O-OG1 3.08Å; T55-T59 WeakPolarHBondContact O-CB 3.28Å; T55-T59 PolarHBondContact O-N 2.99Å; T55-T59 PolarHBondContact O-OG1 3.14Å; T55-K106 VanDerWaalsContact OG1-CE 3.29Å; T55-K106 WeakPolarHBondContact OG1-CE 3.3Å; T55-K106 PolarHBondContact OG1-NZ 3.07Å |
| 56 | H | 90.8 | Very high | 88.5 | Confident | 129 Ų | 129 | 70.9 Ų | 70.9 | 60% | 0.597 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.3 | -45.6 | 172.3 | 178.9 | 71.9 | 0 | 0 | 0 | 111.2 | K52 Y53 E58 T59 V60 | K52-H56 WeakPolarHBondContact O-CB 3.44Å; K52-H56 PolarHBondContact O-N 3.2Å; K52-H56 VanDerWaalsContact O-N 3.08Å; Y53-H56 PolarHBondContact O-N 3.38Å; H56-E58 PolarHBondContact O-N 2.91Å; H56-T59 PolarHBondContact O-N 3.4Å; H56-V60 WeakPolarHBondContact O-CG2 3.43Å; H56-V60 PolarHBondContact O-N 2.9Å |
| 57 | K | 92 | Very high | 88.8 | Confident | 99 Ų | 99 | 69.6 Ų | 69.6 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 179.9 | -165.7 | 167.2 | -169.6 | 164 | 0 | 113.3 | Y53 F54 A61 A102 | Y53-K57 HydrophobicContact CE1-CD 4.1Å; Y53-K57 WeakPolarHBondContact O-CB 3.42Å; Y53-K57 PolarHBondContact O-N 3.01Å; Y53-K57 PolarHBondContact OH-NZ 2.96Å; F54-K57 PolarHBondContact O-N 2.71Å; K57-A61 WeakPolarHBondContact O-CB 3.4Å; K57-A61 PolarHBondContact O-N 3.02Å; K57-A102 HydrophobicContact CG-CB 4.45Å |
| 58 | E | 89.9 | Confident | 89.2 | Confident | 55 Ų | 55 | 66.7 Ų | 66.7 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 171.8 | 178.3 | -170.8 | -138 | 0 | 0 | 111.6 | F54 H56 A61 Y62 A102 K106 | F54-E58 WeakPolarHBondContact O-CB 3.43Å; F54-E58 PolarHBondContact O-N 2.96Å; H56-E58 PolarHBondContact O-N 2.91Å; E58-A61 PolarHBondContact O-N 2.83Å; E58-Y62 PolarHBondContact O-N 2.9Å; E58-A102 HydrophobicContact CB-CB 4.35Å; E58-K106 IonicContact OE1-NZ 3.96Å; E58-K106 WeakPolarHBondContact OE2-CD 3.31Å; E58-K106 WeakPolarHBondContact OE2-CE 3.45Å; E58-K106 IonicContact OE2-NZ 2.76Å; E58-K106 PolarHBondContact OE2-NZ 2.95Å |
| 59 | T | 89.5 | Confident | 89.8 | Confident | 83 Ų | 83 | 64.8 Ų | 64.8 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | T55 H56 Y62 A63 | T55-T59 WeakPolarHBondContact O-CB 3.28Å; T55-T59 PolarHBondContact O-N 2.99Å; T55-T59 PolarHBondContact O-OG1 3.14Å; H56-T59 PolarHBondContact O-N 3.4Å; T59-Y62 PolarHBondContact O-N 2.96Å; T59-A63 WeakPolarHBondContact O-CB 3.45Å; T59-A63 PolarHBondContact O-N 3.02Å |
| 60 | V | 92.6 | Very high | 90 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 178 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | H56 A63 R64 | H56-V60 WeakPolarHBondContact O-CG2 3.43Å; H56-V60 PolarHBondContact O-N 2.9Å; V60-A63 PolarHBondContact O-N 3.18Å; V60-R64 PolarHBondContact O-N 3.01Å |
| 61 | A | 90.5 | Very high | 90.2 | Very high | 12 Ų | 12 | 58.5 Ų | 58.5 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K57 E58 A63 R64 A99 A102 | K57-A61 WeakPolarHBondContact O-CB 3.4Å; K57-A61 PolarHBondContact O-N 3.02Å; E58-A61 PolarHBondContact O-N 2.83Å; A61-A63 PolarHBondContact O-N 3.4Å; A61-R64 PolarHBondContact O-N 3.05Å; A61-A99 HydrophobicContact CB-CB 4.08Å; A61-A102 HydrophobicContact CB-CB 4.26Å |
| 62 | Y | 90.8 | Very high | 90.7 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -34.2 | 176.9 | -175.3 | -107.7 | 0 | 0 | 0 | 113 | E58 T59 R64 A65 G66 L96 R614 A644 | E58-Y62 PolarHBondContact O-N 2.9Å; T59-Y62 PolarHBondContact O-N 2.96Å; Y62-R64 PolarHBondContact O-N 2.76Å; Y62-A65 HydrophobicContact CD2-CB 4.25Å; Y62-A65 HydrophobicContact CE2-CB 4.3Å; Y62-A65 PolarHBondContact O-N 2.88Å; Y62-A65 VanDerWaalsContact O-N 3.1Å; Y62-G66 PolarHBondContact O-N 3.33Å; Y62-L96 HydrophobicContact CE2-CD2 4.32Å; Y62-R614 VanDerWaalsContact CD2-NH1 3.26Å; Y62-R614 VanDerWaalsContact CE2-NH1 3.26Å; Y62-A644 HydrophobicContact CE1-CB 3.83Å; Y62-A644 WeakPolarHBondContact OH-CA 3.33Å |
| 63 | A | 91.5 | Very high | 91.1 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 49% | 0.488 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.4 | -31.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T59 V60 A61 A67 | T59-A63 WeakPolarHBondContact O-CB 3.45Å; T59-A63 PolarHBondContact O-N 3.02Å; V60-A63 PolarHBondContact O-N 3.18Å; A61-A63 PolarHBondContact O-N 3.4Å; A63-A67 WeakPolarHBondContact O-CB 3.39Å; A63-A67 PolarHBondContact O-N 3.03Å |
| 64 | R | 90.8 | Very high | 91.1 | Very high | 151 Ų | 151 | 47.7 Ų | 47.7 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.9 | -45.8 | 173.8 | -63.5 | 174.3 | -179.3 | -171.9 | -3.1 | 112 | V60 A61 Y62 G66 A67 V68 | V60-R64 PolarHBondContact O-N 3.01Å; A61-R64 PolarHBondContact O-N 3.05Å; Y62-R64 PolarHBondContact O-N 2.76Å; R64-G66 VanDerWaalsContact C-N 3.34Å; R64-A67 PolarHBondContact O-N 3.45Å; R64-V68 PolarHBondContact O-N 2.77Å |
| 65 | A | 91.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y62 V68 A69 Y92 Q95 L96 | Y62-A65 HydrophobicContact CD2-CB 4.25Å; Y62-A65 HydrophobicContact CE2-CB 4.3Å; Y62-A65 PolarHBondContact O-N 2.88Å; Y62-A65 VanDerWaalsContact O-N 3.1Å; A65-V68 PolarHBondContact O-N 3.35Å; A65-A69 PolarHBondContact O-N 2.83Å; A65-Y92 HydrophobicContact CB-CD2 4.21Å; A65-Y92 HydrophobicContact CB-CE2 3.84Å; A65-Y92 WeakPolarHBondContact O-CD2 3.46Å; A65-Y92 VanDerWaalsContact O-CE2 3.25Å; A65-Y92 WeakPolarHBondContact O-CE2 3.5Å; A65-Q95 HydrophobicContact CB-CB 3.74Å; A65-L96 HydrophobicContact CB-CD2 4.28Å |
| 66 | G | 92.5 | Very high | 91.4 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y62 R64 A69 S70 | Y62-G66 PolarHBondContact O-N 3.33Å; R64-G66 VanDerWaalsContact C-N 3.34Å; G66-A69 PolarHBondContact O-N 2.87Å; G66-S70 PolarHBondContact O-N 3.32Å |
| 67 | A | 90.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.5 | -47.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A63 R64 A69 S70 E71 | A63-A67 WeakPolarHBondContact O-CB 3.39Å; A63-A67 PolarHBondContact O-N 3.03Å; R64-A67 PolarHBondContact O-N 3.45Å; A67-A69 VanDerWaalsContact C-N 3.28Å; A67-A69 PolarHBondContact O-N 3.15Å; A67-S70 PolarHBondContact O-N 2.92Å; A67-E71 WeakPolarHBondContact O-CB 3.33Å; A67-E71 PolarHBondContact O-N 3.23Å |
| 68 | V | 91.1 | Very high | 91.5 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 9% | 0.085 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.2 | -42.1 | 173.9 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | R64 A65 V72 R91 Y92 Q95 | R64-V68 PolarHBondContact O-N 2.77Å; A65-V68 PolarHBondContact O-N 3.35Å; V68-V72 HydrophobicContact CG1-CG2 4.46Å; V68-V72 WeakPolarHBondContact O-CB 3.3Å; V68-V72 WeakPolarHBondContact O-CG2 3.45Å; V68-V72 PolarHBondContact O-N 2.96Å; V68-V72 VanDerWaalsContact O-N 3.14Å; V68-R91 HydrophobicContact CG1-CB 4.46Å; V68-R91 HydrophobicContact CG1-CG 4.13Å; V68-R91 HydrophobicContact CG2-CG 4.35Å; V68-Y92 HydrophobicContact CG1-CD2 4.49Å; V68-Q95 HydrophobicContact CG2-CG 4.42Å |
| 69 | A | 92.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A65 G66 A67 L73 Y92 F618 L643 | A65-A69 PolarHBondContact O-N 2.83Å; G66-A69 PolarHBondContact O-N 2.87Å; A67-A69 VanDerWaalsContact C-N 3.28Å; A67-A69 PolarHBondContact O-N 3.15Å; A69-L73 WeakPolarHBondContact O-CB 3.43Å; A69-L73 VanDerWaalsContact O-CD1 3.29Å; A69-L73 WeakPolarHBondContact O-CD1 3.35Å; A69-L73 WeakPolarHBondContact O-CG 3.49Å; A69-L73 PolarHBondContact O-N 3.44Å; A69-L73 VanDerWaalsContact O-N 3.08Å; A69-Y92 HydrophobicContact CB-CD2 4.21Å; A69-Y92 HydrophobicContact CB-CE2 3.88Å; A69-F618 HydrophobicContact CB-CD2 4.43Å; A69-F618 HydrophobicContact CB-CE2 3.96Å; A69-L643 HydrophobicContact CB-CD2 3.82Å |
| 70 | S | 90.7 | Very high | 91.8 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 21% | 0.21 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.6 | -51.5 | 178.7 | -148 | 0 | 0 | 0 | 0 | 111.3 | G66 A67 V72 L73 E74 | G66-S70 PolarHBondContact O-N 3.32Å; A67-S70 PolarHBondContact O-N 2.92Å; S70-V72 VanDerWaalsContact C-N 3.31Å; S70-V72 PolarHBondContact O-N 3.39Å; S70-L73 PolarHBondContact O-N 3.05Å; S70-L73 VanDerWaalsContact O-N 3.11Å; S70-E74 VanDerWaalsContact CB-OE1 3.31Å; S70-E74 WeakPolarHBondContact CB-OE1 3.42Å; S70-E74 WeakPolarHBondContact O-CB 3.19Å; S70-E74 VanDerWaalsContact O-CG 3.29Å; S70-E74 WeakPolarHBondContact O-CG 3.38Å; S70-E74 PolarHBondContact O-N 3.16Å; S70-E74 PolarHBondContact OG-OE1 2.91Å |
| 71 | E | 91.1 | Very high | 91.8 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -51.6 | -47.3 | 177.3 | 179 | -168.9 | -159.4 | 0 | 0 | 112.2 | A67 E74 A75 R91 F949 D950 | A67-E71 WeakPolarHBondContact O-CB 3.33Å; A67-E71 PolarHBondContact O-N 3.23Å; E71-E74 PolarHBondContact O-N 2.83Å; E71-A75 VanDerWaalsContact O-CB 3.27Å; E71-A75 WeakPolarHBondContact O-CB 3.31Å; E71-A75 PolarHBondContact O-N 2.78Å; E71-R91 IonicContact OE1-NH1 2.75Å; E71-R91 IonicContact OE2-CZ 2.74Å; E71-R91 IonicContact OE2-NH1 2.65Å; E71-R91 PolarHBondContact OE2-NH1 3.15Å; E71-R91 IonicContact OE2-NH2 3.99Å; E71-R91 PolarHBondContact OE2-NH2 2.72Å; E71-F949 HydrophobicContact CG-CD1 4.18Å; E71-F949 WeakPolarHBondContact OE1-CA 3.44Å; E71-F949 WeakPolarHBondContact OE1-CB 3.22Å; E71-D950 PolarHBondContact OE1-N 3.49Å |
| 72 | V | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.2 | -32.7 | -177.7 | 170.5 | 0 | 0 | 0 | 0 | 112.4 | V68 S70 I76 V79 E88 F618 L622 | V68-V72 HydrophobicContact CG1-CG2 4.46Å; V68-V72 WeakPolarHBondContact O-CB 3.3Å; V68-V72 WeakPolarHBondContact O-CG2 3.45Å; V68-V72 PolarHBondContact O-N 2.96Å; V68-V72 VanDerWaalsContact O-N 3.14Å; S70-V72 VanDerWaalsContact C-N 3.31Å; S70-V72 PolarHBondContact O-N 3.39Å; V72-I76 VanDerWaalsContact O-CA 3.3Å; V72-I76 WeakPolarHBondContact O-CA 3.46Å; V72-I76 PolarHBondContact O-N 3.31Å; V72-I76 VanDerWaalsContact O-N 3.16Å; V72-V79 HydrophobicContact CG1-CG1 4.46Å; V72-V79 HydrophobicContact CG1-CG2 4.22Å; V72-E88 HydrophobicContact CG1-CB 3.88Å; V72-E88 HydrophobicContact CG1-CG 3.97Å; V72-E88 HydrophobicContact CG2-CB 3.91Å; V72-E88 HydrophobicContact CG2-CG 3.69Å; V72-E88 VanDerWaalsContact CG2-OE2 3.23Å; V72-E88 WeakPolarHBondContact CG2-OE2 3.38Å; V72-F618 HydrophobicContact CB-CZ 4.05Å; V72-F618 HydrophobicContact CG1-CE2 4.38Å; V72-F618 HydrophobicContact CG1-CZ 3.77Å; V72-L622 HydrophobicContact CG1-CD2 3.62Å |
| 73 | L | 93 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -76.4 | -35 | 176.1 | -69.3 | 166.7 | 0 | 0 | 0 | 111.7 | A69 S70 I76 F618 M621 F629 P636 L639 A640 | A69-L73 WeakPolarHBondContact O-CB 3.43Å; A69-L73 VanDerWaalsContact O-CD1 3.29Å; A69-L73 WeakPolarHBondContact O-CD1 3.35Å; A69-L73 WeakPolarHBondContact O-CG 3.49Å; A69-L73 PolarHBondContact O-N 3.44Å; A69-L73 VanDerWaalsContact O-N 3.08Å; S70-L73 PolarHBondContact O-N 3.05Å; S70-L73 VanDerWaalsContact O-N 3.11Å; L73-I76 WeakPolarHBondContact O-CB 3.43Å; L73-I76 VanDerWaalsContact O-CG2 3.31Å; L73-I76 WeakPolarHBondContact O-CG2 3.4Å; L73-F618 HydrophobicContact CG-CE2 4.36Å; L73-M621 HydrophobicContact CD2-SD 4.44Å; L73-F629 HydrophobicContact CD2-CE1 3.8Å; L73-P636 HydrophobicContact CB-CB 3.85Å; L73-P636 HydrophobicContact CB-CG 4.5Å; L73-P636 WeakPolarHBondContact O-CG 3.39Å; L73-L639 HydrophobicContact CD1-CB 3.93Å; L73-L639 HydrophobicContact CD2-CD1 4.11Å; L73-A640 HydrophobicContact CD1-CB 4.46Å |
| 74 | E | 90.9 | Very high | 91.8 | Very high | 101 Ų | 101 | 28 Ų | 28 | 47% | 0.472 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.7 | -48 | 172.3 | -72.1 | 158.7 | -136.1 | 0 | 0 | 110.8 | S70 E71 I76 P636 | S70-E74 VanDerWaalsContact CB-OE1 3.31Å; S70-E74 WeakPolarHBondContact CB-OE1 3.42Å; S70-E74 WeakPolarHBondContact O-CB 3.19Å; S70-E74 VanDerWaalsContact O-CG 3.29Å; S70-E74 WeakPolarHBondContact O-CG 3.38Å; S70-E74 PolarHBondContact O-N 3.16Å; S70-E74 PolarHBondContact OG-OE1 2.91Å; E71-E74 PolarHBondContact O-N 2.83Å; E74-I76 VanDerWaalsContact C-N 3.25Å; E74-I76 PolarHBondContact O-N 3.37Å; E74-P636 HydrophobicContact CG-CB 3.83Å; E74-P636 HydrophobicContact CG-CG 4.3Å |
| 75 | A | 91.7 | Very high | 91.9 | Very high | 10 Ų | 10 | 22 Ų | 22 | 8% | 0.083 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 16.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E71 R77 T78 V79 F949 | E71-A75 VanDerWaalsContact O-CB 3.27Å; E71-A75 WeakPolarHBondContact O-CB 3.31Å; E71-A75 PolarHBondContact O-N 2.78Å; A75-R77 VanDerWaalsContact C-N 3.29Å; A75-R77 PolarHBondContact O-N 2.84Å; A75-R77 VanDerWaalsContact O-N 3.11Å; A75-T78 WeakPolarHBondContact O-CA 3.4Å; A75-T78 WeakPolarHBondContact O-CB 3.48Å; A75-T78 PolarHBondContact O-N 2.88Å; A75-V79 PolarHBondContact O-N 2.88Å; A75-F949 HydrophobicContact CB-CE1 3.72Å; A75-F949 HydrophobicContact CB-CZ 4.24Å |
| 76 | I | 93.2 | Very high | 92 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.046 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.5 | -38.2 | -166.8 | -171.4 | 62.5 | 0 | 0 | 0 | 113.8 | V72 L73 E74 T78 V79 V80 L622 F629 | V72-I76 VanDerWaalsContact O-CA 3.3Å; V72-I76 WeakPolarHBondContact O-CA 3.46Å; V72-I76 PolarHBondContact O-N 3.31Å; V72-I76 VanDerWaalsContact O-N 3.16Å; L73-I76 WeakPolarHBondContact O-CB 3.43Å; L73-I76 VanDerWaalsContact O-CG2 3.31Å; L73-I76 WeakPolarHBondContact O-CG2 3.4Å; E74-I76 VanDerWaalsContact C-N 3.25Å; E74-I76 PolarHBondContact O-N 3.37Å; I76-T78 VanDerWaalsContact C-N 3.3Å; I76-T78 PolarHBondContact O-N 3.49Å; I76-V79 PolarHBondContact O-N 3.09Å; I76-V80 HydrophobicContact CD1-CG2 3.85Å; I76-V80 HydrophobicContact CG1-CG2 4.05Å; I76-V80 VanDerWaalsContact O-CB 3.29Å; I76-V80 WeakPolarHBondContact O-CB 3.38Å; I76-V80 WeakPolarHBondContact O-CG2 3.28Å; I76-V80 PolarHBondContact O-N 2.82Å; I76-L622 HydrophobicContact CD1-CD2 3.79Å; I76-F629 HydrophobicContact CD1-CE2 4.38Å; I76-F629 HydrophobicContact CD1-CZ 4.03Å; I76-F629 HydrophobicContact CG1-CD1 4.47Å; I76-F629 HydrophobicContact CG1-CD2 4.19Å; I76-F629 HydrophobicContact CG1-CE1 4.09Å; I76-F629 HydrophobicContact CG1-CE2 3.79Å; I76-F629 HydrophobicContact CG1-CG 4.5Å; I76-F629 HydrophobicContact CG1-CZ 3.72Å; I76-F629 HydrophobicContact CG2-CD1 4.33Å; I76-F629 HydrophobicContact CG2-CG 4.23Å |
| 77 | R | 91.7 | Very high | 91.9 | Very high | 110 Ų | 110 | 32.9 Ų | 32.9 | 42% | 0.415 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.3 | -38 | 176.9 | -68.1 | -178.9 | 178.6 | 172.3 | -0.2 | 111.9 | A75 A81 V626 D630 F908 | A75-R77 VanDerWaalsContact C-N 3.29Å; A75-R77 PolarHBondContact O-N 2.84Å; A75-R77 VanDerWaalsContact O-N 3.11Å; R77-A81 VanDerWaalsContact O-CB 3.28Å; R77-A81 WeakPolarHBondContact O-CB 3.21Å; R77-A81 PolarHBondContact O-N 3.16Å; R77-V626 HydrophobicContact CG-CG1 3.82Å; R77-D630 IonicContact CZ-OD1 2.69Å; R77-D630 IonicContact NH2-OD1 3.88Å; R77-D630 PolarHBondContact NH2-OD1 2.9Å; R77-F908 HydrophobicContact CB-CE2 4.25Å; R77-F908 HydrophobicContact CB-CZ 4.42Å; R77-F908 HydrophobicContact CG-CE2 4.47Å; R77-F908 WeakPolarHBondContact O-CZ 3.41Å |
| 78 | T | 92.6 | Very high | 92.1 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72 | -44.1 | 175.7 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | A75 I76 V80 A81 F82 T947 F949 | A75-T78 WeakPolarHBondContact O-CA 3.4Å; A75-T78 WeakPolarHBondContact O-CB 3.48Å; A75-T78 PolarHBondContact O-N 2.88Å; I76-T78 VanDerWaalsContact C-N 3.3Å; I76-T78 PolarHBondContact O-N 3.49Å; T78-V80 VanDerWaalsContact C-N 3.33Å; T78-V80 PolarHBondContact O-N 2.7Å; T78-A81 PolarHBondContact O-N 2.6Å; T78-F82 HydrophobicContact CG2-CD2 3.8Å; T78-F82 HydrophobicContact CG2-CE2 3.97Å; T78-F82 WeakPolarHBondContact O-CD2 3.47Å; T78-F82 PolarHBondContact O-N 3.05Å; T78-T947 WeakPolarHBondContact CB-OG1 3.49Å; T78-T947 PolarHBondContact OG1-OG1 2.85Å; T78-F949 HydrophobicContact CG2-CE2 4.31Å; T78-F949 HydrophobicContact CG2-CZ 4.25Å |
| 79 | V | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 177.2 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | V72 A75 I76 G83 G84 E88 F949 | V72-V79 HydrophobicContact CG1-CG1 4.46Å; V72-V79 HydrophobicContact CG1-CG2 4.22Å; A75-V79 PolarHBondContact O-N 2.88Å; I76-V79 PolarHBondContact O-N 3.09Å; V79-G83 PolarHBondContact O-N 2.75Å; V79-G84 PolarHBondContact O-N 2.75Å; V79-E88 HydrophobicContact CG1-CG 3.96Å; V79-E88 HydrophobicContact CG2-CG 4.46Å; V79-F949 HydrophobicContact CG2-CE1 3.79Å; V79-F949 HydrophobicContact CG2-CZ 3.71Å |
| 80 | V | 92.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.2 | -29 | 179.8 | 172.6 | 0 | 0 | 0 | 0 | 112.5 | I76 T78 V626 F908 R936 | I76-V80 HydrophobicContact CD1-CG2 3.85Å; I76-V80 HydrophobicContact CG1-CG2 4.05Å; I76-V80 VanDerWaalsContact O-CB 3.29Å; I76-V80 WeakPolarHBondContact O-CB 3.38Å; I76-V80 WeakPolarHBondContact O-CG2 3.28Å; I76-V80 PolarHBondContact O-N 2.82Å; T78-V80 VanDerWaalsContact C-N 3.33Å; T78-V80 PolarHBondContact O-N 2.7Å; V80-V626 HydrophobicContact CG1-CG2 4.38Å; V80-F908 HydrophobicContact CG1-CD1 4.39Å; V80-F908 HydrophobicContact CG1-CE1 4.09Å; V80-R936 WeakPolarHBondContact O-CD 3.29Å; V80-R936 PolarHBondContact O-NH1 2.89Å |
| 81 | A | 92 | Very high | 92.5 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.1 | -44.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R77 T78 F908 L941 | R77-A81 VanDerWaalsContact O-CB 3.28Å; R77-A81 WeakPolarHBondContact O-CB 3.21Å; R77-A81 PolarHBondContact O-N 3.16Å; T78-A81 PolarHBondContact O-N 2.6Å; A81-F908 HydrophobicContact CB-CZ 4.19Å; A81-L941 HydrophobicContact CB-CD2 3.7Å |
| 82 | F | 92.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 6.7 | -178 | -69 | -73.8 | 0 | 0 | 0 | 114.3 | T78 G84 Y959 N962 R1014 | T78-F82 HydrophobicContact CG2-CD2 3.8Å; T78-F82 HydrophobicContact CG2-CE2 3.97Å; T78-F82 WeakPolarHBondContact O-CD2 3.47Å; T78-F82 PolarHBondContact O-N 3.05Å; F82-G84 VanDerWaalsContact C-N 3.31Å; F82-G84 PolarHBondContact O-N 2.83Å; F82-Y959 HydrophobicContact CB-CD1 3.91Å; F82-Y959 HydrophobicContact CB-CE1 4.08Å; F82-Y959 HydrophobicContact CG-CD1 4.4Å; F82-N962 PolarHBondContact O-ND2 3.32Å; F82-R1014 HydrophobicContact CD1-CG 4.49Å; F82-R1014 HydrophobicContact CE1-CG 3.97Å; F82-R1014 HydrophobicContact CE2-CG 4.26Å; F82-R1014 HydrophobicContact CZ-CG 3.85Å |
| 83 | G | 90.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 40% | 0.402 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 31.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | V79 E85 | V79-G83 PolarHBondContact O-N 2.75Å; G83-E85 VanDerWaalsContact C-N 3.32Å; G83-E85 VanDerWaalsContact CA-OE2 3.24Å; G83-E85 WeakPolarHBondContact CA-OE2 3.2Å; G83-E85 PolarHBondContact O-N 3.26Å |
| 84 | G | 91.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -80.8 | -3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V79 F82 K86 R87 E88 | V79-G84 PolarHBondContact O-N 2.75Å; F82-G84 VanDerWaalsContact C-N 3.31Å; F82-G84 PolarHBondContact O-N 2.83Å; G84-K86 PolarHBondContact O-N 2.82Å; G84-K86 VanDerWaalsContact O-N 3.08Å; G84-R87 WeakPolarHBondContact O-CA 3.31Å; G84-R87 WeakPolarHBondContact O-CB 3.46Å; G84-R87 PolarHBondContact O-N 2.85Å; G84-E88 PolarHBondContact O-N 2.97Å | ||
| 85 | E | 92.5 | Very high | 93 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.4 | -37.5 | -167.4 | -53.9 | 94.9 | 145.7 | 0 | 0 | 112.6 | G83 L89 L622 | G83-E85 VanDerWaalsContact C-N 3.32Å; G83-E85 VanDerWaalsContact CA-OE2 3.24Å; G83-E85 WeakPolarHBondContact CA-OE2 3.2Å; G83-E85 PolarHBondContact O-N 3.26Å; E85-L89 VanDerWaalsContact O-CB 3.3Å; E85-L89 WeakPolarHBondContact O-CB 3.46Å; E85-L89 PolarHBondContact O-N 3.19Å; E85-L622 HydrophobicContact CB-CB 4.25Å; E85-L622 HydrophobicContact CG-CB 4.47Å; E85-L622 WeakPolarHBondContact O-CD1 3.2Å |
| 86 | K | 92.4 | Very high | 93 | Very high | 167 Ų | 167 | 47.6 Ų | 47.6 | 73% | 0.726 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -72.8 | -34.3 | 177 | -67.5 | -177.3 | 180 | 178 | 0 | 113.4 | G84 K90 | G84-K86 PolarHBondContact O-N 2.82Å; G84-K86 VanDerWaalsContact O-N 3.08Å; K86-K90 PolarHBondContact O-N 3.35Å; K86-K90 VanDerWaalsContact O-N 3.14Å |
| 87 | R | 92.2 | Very high | 93 | Very high | 82 Ų | 82 | 48.7 Ų | 48.7 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.3 | -45.7 | 177.3 | -179.7 | 176.4 | 177 | 172.9 | -2.8 | 109.9 | G84 K90 R91 N962 | G84-R87 WeakPolarHBondContact O-CA 3.31Å; G84-R87 WeakPolarHBondContact O-CB 3.46Å; G84-R87 PolarHBondContact O-N 2.85Å; R87-K90 WeakPolarHBondContact O-CB 3.45Å; R87-K90 PolarHBondContact O-N 3.27Å; R87-R91 PolarHBondContact O-N 3.15Å; R87-N962 WeakPolarHBondContact CD-OD1 3.42Å; R87-N962 PolarHBondContact NH1-OD1 3.34Å |
| 88 | E | 93.7 | Very high | 93 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.6 | -37.9 | 177.7 | -59.1 | -43.5 | 128.3 | 0 | 0 | 113 | V72 V79 G84 K90 R91 Y92 L622 Y959 | V72-E88 HydrophobicContact CG1-CB 3.88Å; V72-E88 HydrophobicContact CG1-CG 3.97Å; V72-E88 HydrophobicContact CG2-CB 3.91Å; V72-E88 HydrophobicContact CG2-CG 3.69Å; V72-E88 VanDerWaalsContact CG2-OE2 3.23Å; V72-E88 WeakPolarHBondContact CG2-OE2 3.38Å; V79-E88 HydrophobicContact CG1-CG 3.96Å; V79-E88 HydrophobicContact CG2-CG 4.46Å; G84-E88 PolarHBondContact O-N 2.97Å; E88-K90 VanDerWaalsContact C-N 3.27Å; E88-K90 PolarHBondContact O-N 2.91Å; E88-R91 PolarHBondContact O-N 3.13Å; E88-R91 IonicContact OE2-CZ 4Å; E88-R91 IonicContact OE2-NE 3.97Å; E88-R91 PolarHBondContact OE2-NE 2.88Å; E88-R91 IonicContact OE2-NH2 3.71Å; E88-R91 PolarHBondContact OE2-NH2 3.04Å; E88-Y92 WeakPolarHBondContact O-CB 3.39Å; E88-Y92 PolarHBondContact O-N 2.71Å; E88-L622 HydrophobicContact CB-CD1 4.5Å; E88-Y959 WeakPolarHBondContact CG-OH 3.41Å; E88-Y959 VanDerWaalsContact OE1-CE2 3.28Å; E88-Y959 WeakPolarHBondContact OE1-CE2 3.46Å; E88-Y959 PolarHBondContact OE1-OH 2.89Å |
| 89 | L | 94.6 | Very high | 93 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -36.3 | 172.6 | -173.2 | 62.6 | 0 | 0 | 0 | 112.1 | E85 R93 L615 F618 E619 L622 | E85-L89 VanDerWaalsContact O-CB 3.3Å; E85-L89 WeakPolarHBondContact O-CB 3.46Å; E85-L89 PolarHBondContact O-N 3.19Å; L89-R93 VanDerWaalsContact O-CB 3.3Å; L89-R93 WeakPolarHBondContact O-CB 3.43Å; L89-R93 PolarHBondContact O-N 3.49Å; L89-R93 VanDerWaalsContact O-N 3.07Å; L89-L615 HydrophobicContact CD1-CD1 3.49Å; L89-L615 VanDerWaalsContact CD1-CD1 3.49Å; L89-L615 HydrophobicContact CD1-CG 4.17Å; L89-L615 HydrophobicContact CG-CD1 4.16Å; L89-F618 HydrophobicContact CD1-CD1 4.04Å; L89-E619 HydrophobicContact CD1-CB 3.84Å; L89-E619 HydrophobicContact CD2-CB 4Å; L89-E619 HydrophobicContact CD2-CG 3.87Å; L89-L622 HydrophobicContact CB-CD1 4.3Å |
| 90 | K | 94.7 | Very high | 92.9 | Very high | 130 Ų | 130 | 49.2 Ų | 49.2 | 57% | 0.565 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -67.5 | -50.5 | 172.9 | -167.6 | -170.6 | -176.6 | -101.6 | 0 | 111.3 | K86 R87 E88 Y92 R93 E94 | K86-K90 PolarHBondContact O-N 3.35Å; K86-K90 VanDerWaalsContact O-N 3.14Å; R87-K90 WeakPolarHBondContact O-CB 3.45Å; R87-K90 PolarHBondContact O-N 3.27Å; E88-K90 VanDerWaalsContact C-N 3.27Å; E88-K90 PolarHBondContact O-N 2.91Å; K90-Y92 VanDerWaalsContact C-N 3.29Å; K90-Y92 PolarHBondContact O-N 3.15Å; K90-R93 WeakPolarHBondContact O-CB 3.48Å; K90-R93 PolarHBondContact O-N 2.97Å; K90-R93 VanDerWaalsContact O-N 3.09Å; K90-E94 VanDerWaalsContact CE-OE1 3.22Å; K90-E94 WeakPolarHBondContact CE-OE1 3.49Å; K90-E94 WeakPolarHBondContact CG-OE1 3.41Å; K90-E94 IonicContact NZ-OE1 2.93Å; K90-E94 PolarHBondContact NZ-OE1 3.43Å; K90-E94 WeakPolarHBondContact O-CG 3.49Å; K90-E94 PolarHBondContact O-N 2.66Å |
| 91 | R | 93.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 17% | 0.174 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.5 | -42.1 | 179.2 | -169.7 | 165.5 | 68.8 | 117.3 | 5.6 | 111.7 | V68 E71 R87 E88 Q95 | V68-R91 HydrophobicContact CG1-CB 4.46Å; V68-R91 HydrophobicContact CG1-CG 4.13Å; V68-R91 HydrophobicContact CG2-CG 4.35Å; E71-R91 IonicContact OE1-NH1 2.75Å; E71-R91 IonicContact OE2-CZ 2.74Å; E71-R91 IonicContact OE2-NH1 2.65Å; E71-R91 PolarHBondContact OE2-NH1 3.15Å; E71-R91 IonicContact OE2-NH2 3.99Å; E71-R91 PolarHBondContact OE2-NH2 2.72Å; R87-R91 PolarHBondContact O-N 3.15Å; E88-R91 PolarHBondContact O-N 3.13Å; E88-R91 IonicContact OE2-CZ 4Å; E88-R91 IonicContact OE2-NE 3.97Å; E88-R91 PolarHBondContact OE2-NE 2.88Å; E88-R91 IonicContact OE2-NH2 3.71Å; E88-R91 PolarHBondContact OE2-NH2 3.04Å; R91-Q95 PolarHBondContact O-N 3.35Å |
| 92 | Y | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.9 | -42 | 174.9 | -174.8 | -116.4 | 0 | 0 | 0 | 112.9 | A65 V68 A69 E88 K90 E94 Q95 L96 R614 F618 L643 | A65-Y92 HydrophobicContact CB-CD2 4.21Å; A65-Y92 HydrophobicContact CB-CE2 3.84Å; A65-Y92 WeakPolarHBondContact O-CD2 3.46Å; A65-Y92 VanDerWaalsContact O-CE2 3.25Å; A65-Y92 WeakPolarHBondContact O-CE2 3.5Å; V68-Y92 HydrophobicContact CG1-CD2 4.49Å; A69-Y92 HydrophobicContact CB-CD2 4.21Å; A69-Y92 HydrophobicContact CB-CE2 3.88Å; E88-Y92 WeakPolarHBondContact O-CB 3.39Å; E88-Y92 PolarHBondContact O-N 2.71Å; K90-Y92 VanDerWaalsContact C-N 3.29Å; K90-Y92 PolarHBondContact O-N 3.15Å; Y92-E94 PolarHBondContact O-N 3.38Å; Y92-Q95 PolarHBondContact O-N 3.49Å; Y92-L96 HydrophobicContact CD1-CD1 3.83Å; Y92-L96 HydrophobicContact CD1-CG 4.26Å; Y92-L96 HydrophobicContact CE1-CD1 3.43Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.43Å; Y92-L96 HydrophobicContact CE1-CD2 4.34Å; Y92-L96 HydrophobicContact CE1-CG 3.92Å; Y92-L96 HydrophobicContact CE2-CD2 4.47Å; Y92-L96 HydrophobicContact CE2-CG 4.36Å; Y92-L96 WeakPolarHBondContact O-CG 3.33Å; Y92-L96 PolarHBondContact O-N 3.14Å; Y92-R614 HydrophobicContact CE1-CB 4.27Å; Y92-F618 HydrophobicContact CD1-CB 3.98Å; Y92-F618 AromaticContact CD1-CD1 3.43Å; Y92-F618 HydrophobicContact CD1-CD1 3.43Å; Y92-F618 VanDerWaalsContact CD1-CD1 3.43Å; Y92-F618 AromaticContact CD1-CE1 3.99Å; Y92-F618 HydrophobicContact CD1-CE1 3.99Å; Y92-F618 AromaticContact CD1-CG 3.79Å; Y92-F618 HydrophobicContact CD1-CG 3.79Å; Y92-F618 HydrophobicContact CE1-CB 3.84Å; Y92-F618 HydrophobicContact CE1-CD1 4.13Å; Y92-F618 HydrophobicContact CE1-CG 4Å; Y92-F618 AromaticContact CG-CD1 3.77Å; Y92-F618 HydrophobicContact CG-CD1 3.77Å; Y92-F618 AromaticContact CG-CE1 3.81Å; Y92-F618 HydrophobicContact CG-CE1 3.81Å; Y92-F618 HydrophobicContact CG-CG 4.34Å; Y92-F618 HydrophobicContact CG-CZ 4.43Å; Y92-L643 HydrophobicContact CE1-CD2 4.32Å; Y92-L643 HydrophobicContact CE2-CD2 4.36Å; Y92-L643 WeakPolarHBondContact OH-CD2 3.49Å; Y92-L643 WeakPolarHBondContact OH-CG 3.44Å |
| 93 | R | 96.3 | Very high | 92.8 | Very high | 164 Ų | 164 | 54.5 Ų | 54.5 | 62% | 0.619 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | 178.3 | -173.6 | 176.1 | 176.9 | 172.4 | -3.7 | 112.9 | L89 K90 L96 G97 L615 | L89-R93 VanDerWaalsContact O-CB 3.3Å; L89-R93 WeakPolarHBondContact O-CB 3.43Å; L89-R93 PolarHBondContact O-N 3.49Å; L89-R93 VanDerWaalsContact O-N 3.07Å; K90-R93 WeakPolarHBondContact O-CB 3.48Å; K90-R93 PolarHBondContact O-N 2.97Å; K90-R93 VanDerWaalsContact O-N 3.09Å; R93-L96 PolarHBondContact O-N 3.35Å; R93-G97 PolarHBondContact O-N 3.01Å; R93-G97 VanDerWaalsContact O-N 3.14Å; R93-L615 HydrophobicContact CB-CD1 3.7Å; R93-L615 HydrophobicContact CG-CD1 4.05Å; R93-L615 HydrophobicContact CG-CD2 4.15Å |
| 94 | E | 93.9 | Very high | 92.8 | Very high | 102 Ų | 102 | 55 Ų | 55 | 48% | 0.477 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 178.9 | -71.5 | 168.5 | -177.7 | 0 | 0 | 111.1 | K90 Y92 G97 | K90-E94 VanDerWaalsContact CE-OE1 3.22Å; K90-E94 WeakPolarHBondContact CE-OE1 3.49Å; K90-E94 WeakPolarHBondContact CG-OE1 3.41Å; K90-E94 IonicContact NZ-OE1 2.93Å; K90-E94 PolarHBondContact NZ-OE1 3.43Å; K90-E94 WeakPolarHBondContact O-CG 3.49Å; K90-E94 PolarHBondContact O-N 2.66Å; Y92-E94 PolarHBondContact O-N 3.38Å; E94-G97 PolarHBondContact O-N 2.95Å |
| 95 | Q | 92.9 | Very high | 92.8 | Very high | 53 Ų | 53 | 59.7 Ų | 59.7 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 175.1 | -61.4 | -57.7 | -45.3 | 0 | 0 | 112.3 | A65 V68 R91 Y92 G97 T98 A99 | A65-Q95 HydrophobicContact CB-CB 3.74Å; V68-Q95 HydrophobicContact CG2-CG 4.42Å; R91-Q95 PolarHBondContact O-N 3.35Å; Y92-Q95 PolarHBondContact O-N 3.49Å; Q95-G97 VanDerWaalsContact C-N 3.31Å; Q95-G97 PolarHBondContact O-N 3.35Å; Q95-T98 PolarHBondContact O-N 3.5Å; Q95-T98 PolarHBondContact O-OG1 2.96Å; Q95-A99 PolarHBondContact O-N 2.88Å |
| 96 | L | 92.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.7 | -39.7 | 175 | -80.6 | -179.1 | 0 | 0 | 0 | 112.8 | Y62 A65 Y92 R93 T98 A99 E100 R614 L615 | Y62-L96 HydrophobicContact CE2-CD2 4.32Å; A65-L96 HydrophobicContact CB-CD2 4.28Å; Y92-L96 HydrophobicContact CD1-CD1 3.83Å; Y92-L96 HydrophobicContact CD1-CG 4.26Å; Y92-L96 HydrophobicContact CE1-CD1 3.43Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.43Å; Y92-L96 HydrophobicContact CE1-CD2 4.34Å; Y92-L96 HydrophobicContact CE1-CG 3.92Å; Y92-L96 HydrophobicContact CE2-CD2 4.47Å; Y92-L96 HydrophobicContact CE2-CG 4.36Å; Y92-L96 WeakPolarHBondContact O-CG 3.33Å; Y92-L96 PolarHBondContact O-N 3.14Å; R93-L96 PolarHBondContact O-N 3.35Å; L96-T98 VanDerWaalsContact C-N 3.3Å; L96-T98 PolarHBondContact O-N 3.17Å; L96-A99 PolarHBondContact O-N 3.34Å; L96-A99 VanDerWaalsContact O-N 3.13Å; L96-E100 PolarHBondContact O-N 3.26Å; L96-R614 HydrophobicContact CD1-CB 3.95Å; L96-R614 HydrophobicContact CD2-CB 4.19Å; L96-L615 HydrophobicContact CD1-CB 4.26Å |
| 97 | G | 93.1 | Very high | 92.6 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | R93 E94 Q95 A99 E100 E101 | R93-G97 PolarHBondContact O-N 3.01Å; R93-G97 VanDerWaalsContact O-N 3.14Å; E94-G97 PolarHBondContact O-N 2.95Å; Q95-G97 VanDerWaalsContact C-N 3.31Å; Q95-G97 PolarHBondContact O-N 3.35Å; G97-A99 VanDerWaalsContact C-N 3.31Å; G97-A99 PolarHBondContact O-N 3.24Å; G97-E100 PolarHBondContact O-N 2.82Å; G97-E101 PolarHBondContact O-N 2.95Å; G97-E101 VanDerWaalsContact O-N 3.07Å |
| 98 | T | 92.3 | Very high | 92.5 | Very high | 62 Ų | 62 | 52 Ų | 52 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.2 | -33.1 | 176.8 | 74.8 | 0 | 0 | 0 | 0 | 112.8 | Q95 L96 A102 | Q95-T98 PolarHBondContact O-N 3.5Å; Q95-T98 PolarHBondContact O-OG1 2.96Å; L96-T98 VanDerWaalsContact C-N 3.3Å; L96-T98 PolarHBondContact O-N 3.17Å; T98-A102 PolarHBondContact O-N 3.47Å |
| 99 | A | 91.2 | Very high | 92.3 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.3 | -36.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A61 Q95 L96 G97 A102 G103 | A61-A99 HydrophobicContact CB-CB 4.08Å; Q95-A99 PolarHBondContact O-N 2.88Å; L96-A99 PolarHBondContact O-N 3.34Å; L96-A99 VanDerWaalsContact O-N 3.13Å; G97-A99 VanDerWaalsContact C-N 3.31Å; G97-A99 PolarHBondContact O-N 3.24Å; A99-A102 PolarHBondContact O-N 3Å; A99-G103 PolarHBondContact O-N 3.45Å |
| 100 | E | 91.9 | Very high | 91.9 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 175.1 | -168.7 | -178.9 | 136.6 | 0 | 0 | 111.5 | L96 G97 A102 G103 L104 I608 S611 | L96-E100 PolarHBondContact O-N 3.26Å; G97-E100 PolarHBondContact O-N 2.82Å; E100-A102 PolarHBondContact O-N 3.29Å; E100-G103 PolarHBondContact O-N 3.14Å; E100-L104 WeakPolarHBondContact O-CB 3.4Å; E100-L104 PolarHBondContact O-N 3.12Å; E100-I608 WeakPolarHBondContact OE1-CG1 3.41Å; E100-S611 WeakPolarHBondContact OE2-CB 3.32Å; E100-S611 PolarHBondContact OE2-OG 3.04Å |
| 101 | E | 92 | Very high | 91.6 | Very high | 114 Ų | 114 | 47.7 Ų | 47.7 | 53% | 0.533 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 173.9 | -84.9 | -161.3 | -140.2 | 0 | 0 | 113.5 | G97 L104 K105 | G97-E101 PolarHBondContact O-N 2.95Å; G97-E101 VanDerWaalsContact O-N 3.07Å; E101-L104 PolarHBondContact O-N 3.27Å; E101-K105 WeakPolarHBondContact O-CB 3.34Å; E101-K105 WeakPolarHBondContact O-CD 3.47Å; E101-K105 WeakPolarHBondContact O-CG 3.46Å; E101-K105 PolarHBondContact O-N 3.12Å; E101-K105 IonicContact OE2-NZ 3.97Å; E101-K105 PolarHBondContact OE2-NZ 3.09Å |
| 102 | A | 91.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K57 E58 A61 T98 A99 E100 K105 K106 | K57-A102 HydrophobicContact CG-CB 4.45Å; E58-A102 HydrophobicContact CB-CB 4.35Å; A61-A102 HydrophobicContact CB-CB 4.26Å; T98-A102 PolarHBondContact O-N 3.47Å; A99-A102 PolarHBondContact O-N 3Å; E100-A102 PolarHBondContact O-N 3.29Å; A102-K105 PolarHBondContact O-N 2.76Å; A102-K106 PolarHBondContact O-N 3.42Å |
| 103 | G | 90 | Very high | 91.1 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A99 E100 K106 V107 | A99-G103 PolarHBondContact O-N 3.45Å; E100-G103 PolarHBondContact O-N 3.14Å; G103-K106 WeakPolarHBondContact O-CB 3.25Å; G103-K106 PolarHBondContact O-N 3.33Å; G103-V107 WeakPolarHBondContact O-CG2 3.47Å; G103-V107 PolarHBondContact O-N 3.34Å |
| 104 | L | 91.6 | Very high | 90.4 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 27% | 0.267 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61 | -48.2 | 174.8 | 179.2 | 59.8 | 0 | 0 | 0 | 111.2 | E100 E101 K106 V107 V108 K604 | E100-L104 WeakPolarHBondContact O-CB 3.4Å; E100-L104 PolarHBondContact O-N 3.12Å; E101-L104 PolarHBondContact O-N 3.27Å; L104-K106 VanDerWaalsContact C-N 3.31Å; L104-K106 PolarHBondContact O-N 3.18Å; L104-V107 PolarHBondContact O-N 2.86Å; L104-V108 HydrophobicContact CD1-CG2 3.88Å; L104-V108 HydrophobicContact CG-CG2 4.3Å; L104-V108 VanDerWaalsContact O-CG2 3.27Å; L104-V108 WeakPolarHBondContact O-CG2 3.46Å; L104-V108 PolarHBondContact O-N 3.33Å; L104-K604 HydrophobicContact CD1-CB 4.02Å |
| 105 | K | 91.9 | Very high | 90.2 | Very high | 98 Ų | 98 | 37.5 Ų | 37.5 | 43% | 0.426 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 178 | -72.8 | 159.4 | -177.5 | 162.2 | 0 | 111.1 | F54 E101 A102 T109 | F54-K105 HydrophobicContact CD1-CB 4.04Å; F54-K105 HydrophobicContact CE1-CB 3.83Å; E101-K105 WeakPolarHBondContact O-CB 3.34Å; E101-K105 WeakPolarHBondContact O-CD 3.47Å; E101-K105 WeakPolarHBondContact O-CG 3.46Å; E101-K105 PolarHBondContact O-N 3.12Å; E101-K105 IonicContact OE2-NZ 3.97Å; E101-K105 PolarHBondContact OE2-NZ 3.09Å; A102-K105 PolarHBondContact O-N 2.76Å; K105-T109 WeakPolarHBondContact O-CB 3.33Å; K105-T109 PolarHBondContact O-N 3.13Å; K105-T109 PolarHBondContact O-OG1 2.89Å; K105-T109 VanDerWaalsContact O-OG1 3.13Å |
| 106 | K | 90.5 | Very high | 90 | Very high | 44 Ų | 44 | 37 Ų | 37 | 19% | 0.191 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.1 | -52 | 172.3 | -178.7 | -177.9 | 166.5 | 177.9 | 0 | 113.1 | F54 T55 E58 A102 G103 L104 T109 S110 | F54-K106 HydrophobicContact CB-CB 3.81Å; F54-K106 HydrophobicContact CB-CG 4.11Å; T55-K106 VanDerWaalsContact OG1-CE 3.29Å; T55-K106 WeakPolarHBondContact OG1-CE 3.3Å; T55-K106 PolarHBondContact OG1-NZ 3.07Å; E58-K106 IonicContact OE1-NZ 3.96Å; E58-K106 WeakPolarHBondContact OE2-CD 3.31Å; E58-K106 WeakPolarHBondContact OE2-CE 3.45Å; E58-K106 IonicContact OE2-NZ 2.76Å; E58-K106 PolarHBondContact OE2-NZ 2.95Å; A102-K106 PolarHBondContact O-N 3.42Å; G103-K106 WeakPolarHBondContact O-CB 3.25Å; G103-K106 PolarHBondContact O-N 3.33Å; L104-K106 VanDerWaalsContact C-N 3.31Å; L104-K106 PolarHBondContact O-N 3.18Å; K106-T109 PolarHBondContact O-N 2.95Å; K106-S110 PolarHBondContact O-N 2.97Å |
| 107 | V | 88.9 | Confident | 89.5 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 22% | 0.218 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.5 | -40.8 | -176.3 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | G103 L104 S110 G111 S599 | G103-V107 WeakPolarHBondContact O-CG2 3.47Å; G103-V107 PolarHBondContact O-N 3.34Å; L104-V107 PolarHBondContact O-N 2.86Å; V107-S110 WeakPolarHBondContact O-CB 3.22Å; V107-S110 PolarHBondContact O-N 3.38Å; V107-G111 PolarHBondContact O-N 2.75Å; V107-S599 WeakPolarHBondContact CG1-O 3.32Å |
| 108 | V | 91.5 | Very high | 89.1 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 176.7 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | L104 G111 A112 L600 | L104-V108 HydrophobicContact CD1-CG2 3.88Å; L104-V108 HydrophobicContact CG-CG2 4.3Å; L104-V108 VanDerWaalsContact O-CG2 3.27Å; L104-V108 WeakPolarHBondContact O-CG2 3.46Å; L104-V108 PolarHBondContact O-N 3.33Å; V108-G111 PolarHBondContact O-N 3.49Å; V108-A112 PolarHBondContact O-N 2.99Å; V108-L600 HydrophobicContact CB-CD2 4.43Å; V108-L600 HydrophobicContact CG1-CD2 4.04Å; V108-L600 HydrophobicContact CG1-CG 4.24Å; V108-L600 HydrophobicContact CG2-CD2 3.44Å; V108-L600 VanDerWaalsContact CG2-CD2 3.44Å; V108-L600 HydrophobicContact CG2-CG 3.87Å |
| 109 | T | 89.3 | Confident | 88.9 | Confident | 29 Ų | 29 | 36.2 Ų | 36.2 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.6 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | L50 F54 K105 K106 G111 A112 V113 | L50-T109 HydrophobicContact CB-CG2 3.79Å; L50-T109 HydrophobicContact CD1-CG2 3.75Å; L50-T109 HydrophobicContact CG-CG2 4.25Å; F54-T109 HydrophobicContact CD2-CG2 4.09Å; F54-T109 HydrophobicContact CE2-CG2 3.96Å; F54-T109 WeakPolarHBondContact CE2-OG1 3.48Å; K105-T109 WeakPolarHBondContact O-CB 3.33Å; K105-T109 PolarHBondContact O-N 3.13Å; K105-T109 PolarHBondContact O-OG1 2.89Å; K105-T109 VanDerWaalsContact O-OG1 3.13Å; K106-T109 PolarHBondContact O-N 2.95Å; T109-G111 VanDerWaalsContact C-N 3.31Å; T109-G111 PolarHBondContact O-N 3.16Å; T109-A112 PolarHBondContact O-N 3.11Å; T109-V113 HydrophobicContact CG2-CG2 4.43Å; T109-V113 WeakPolarHBondContact O-CG2 3.48Å; T109-V113 PolarHBondContact O-N 3.06Å |
| 110 | S | 86.2 | Confident | 88.6 | Confident | 42 Ų | 42 | 36.7 Ų | 36.7 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 172.9 | -169 | 0 | 0 | 0 | 0 | 111.9 | K106 V107 V113 N114 | K106-S110 PolarHBondContact O-N 2.97Å; V107-S110 WeakPolarHBondContact O-CB 3.22Å; V107-S110 PolarHBondContact O-N 3.38Å; S110-V113 PolarHBondContact O-N 3.33Å; S110-N114 WeakPolarHBondContact O-CB 3.49Å; S110-N114 PolarHBondContact O-N 3.42Å |
| 111 | G | 88.4 | Confident | 88.2 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V107 V108 T109 V113 N114 G115 S599 | V107-G111 PolarHBondContact O-N 2.75Å; V108-G111 PolarHBondContact O-N 3.49Å; T109-G111 VanDerWaalsContact C-N 3.31Å; T109-G111 PolarHBondContact O-N 3.16Å; G111-V113 PolarHBondContact O-N 3.14Å; G111-N114 PolarHBondContact O-N 3.35Å; G111-G115 PolarHBondContact O-N 3.38Å; G111-S599 WeakPolarHBondContact CA-OG 3.46Å |
| 112 | A | 89.8 | Confident | 88 | Confident | 28 Ų | 28 | 30.2 Ų | 30.2 | 23% | 0.231 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V108 T109 G115 T116 I596 | V108-A112 PolarHBondContact O-N 2.99Å; T109-A112 PolarHBondContact O-N 3.11Å; A112-G115 CarbonylContact O-C 3.57Å; A112-G115 WeakPolarHBondContact O-CA 3.34Å; A112-G115 PolarHBondContact O-N 3.32Å; A112-T116 PolarHBondContact O-N 3.06Å; A112-T116 PolarHBondContact O-OG1 3.18Å; A112-I596 HydrophobicContact CB-CD1 4.1Å; A112-I596 HydrophobicContact CB-CG1 3.91Å |
| 113 | V | 85.9 | Confident | 87.8 | Confident | 11 Ų | 11 | 31.6 Ų | 31.6 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71 | -37.6 | -179.2 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | V43 F47 L50 T109 S110 G111 G115 T116 I117 | V43-V113 HydrophobicContact CG1-CG1 4.37Å; F47-V113 HydrophobicContact CB-CG1 3.65Å; F47-V113 HydrophobicContact CD2-CB 4.06Å; F47-V113 HydrophobicContact CD2-CG1 3.63Å; F47-V113 HydrophobicContact CG-CG1 4.05Å; L50-V113 HydrophobicContact CD1-CG2 4.24Å; T109-V113 HydrophobicContact CG2-CG2 4.43Å; T109-V113 WeakPolarHBondContact O-CG2 3.48Å; T109-V113 PolarHBondContact O-N 3.06Å; S110-V113 PolarHBondContact O-N 3.33Å; G111-V113 PolarHBondContact O-N 3.14Å; V113-G115 VanDerWaalsContact C-N 3.28Å; V113-G115 PolarHBondContact O-N 3.47Å; V113-T116 PolarHBondContact O-N 3.44Å; V113-T116 VanDerWaalsContact O-N 3.16Å; V113-I117 HydrophobicContact CG1-CD1 4.14Å; V113-I117 HydrophobicContact CG1-CG1 4.45Å; V113-I117 WeakPolarHBondContact O-CG1 3.39Å; V113-I117 PolarHBondContact O-N 3.26Å |
| 114 | N | 83.5 | Confident | 87.7 | Confident | 60 Ų | 60 | 31.6 Ų | 31.6 | 32% | 0.321 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.5 | -38.9 | 171 | -167.6 | 55.7 | 0 | 0 | 0 | 111.6 | S110 G111 G118 N595 | S110-N114 WeakPolarHBondContact O-CB 3.49Å; S110-N114 PolarHBondContact O-N 3.42Å; G111-N114 PolarHBondContact O-N 3.35Å; N114-G118 PolarHBondContact O-N 3.05Å; N114-N595 PolarHBondContact ND2-OD1 3.23Å |
| 115 | G | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | G111 A112 V113 G118 L119 | G111-G115 PolarHBondContact O-N 3.38Å; A112-G115 CarbonylContact O-C 3.57Å; A112-G115 WeakPolarHBondContact O-CA 3.34Å; A112-G115 PolarHBondContact O-N 3.32Å; V113-G115 VanDerWaalsContact C-N 3.28Å; V113-G115 PolarHBondContact O-N 3.47Å; G115-G118 PolarHBondContact O-N 3.11Å; G115-L119 PolarHBondContact O-N 2.85Å |
| 116 | T | 88.4 | Confident | 87.2 | Confident | 43 Ų | 43 | 24.7 Ų | 24.7 | 26% | 0.264 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | V43 A112 V113 G118 L119 T120 | V43-T116 HydrophobicContact CB-CG2 4.47Å; V43-T116 HydrophobicContact CG1-CG2 3.78Å; V43-T116 HydrophobicContact CG2-CG2 3.74Å; A112-T116 PolarHBondContact O-N 3.06Å; A112-T116 PolarHBondContact O-OG1 3.18Å; V113-T116 PolarHBondContact O-N 3.44Å; V113-T116 VanDerWaalsContact O-N 3.16Å; T116-G118 VanDerWaalsContact C-N 3.27Å; T116-G118 PolarHBondContact O-N 3.45Å; T116-L119 PolarHBondContact O-N 3.31Å; T116-T120 PolarHBondContact O-N 3.44Å; T116-T120 PolarHBondContact O-OG1 2.92Å |
| 117 | I | 83.8 | Confident | 87.2 | Confident | 38 Ų | 38 | 26.8 Ų | 26.8 | 20% | 0.195 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.9 | -44.9 | 175.8 | -66.7 | 165.1 | 0 | 0 | 0 | 110 | V43 F44 V113 V121 | V43-I117 HydrophobicContact CG1-CG1 3.57Å; F44-I117 HydrophobicContact CD1-CD1 4.18Å; F44-I117 HydrophobicContact CE1-CD1 3.73Å; F44-I117 HydrophobicContact CE1-CG1 4.44Å; F44-I117 HydrophobicContact CZ-CD1 4.13Å; F44-I117 HydrophobicContact CZ-CG1 4.43Å; F44-I117 HydrophobicContact CZ-CG2 4.19Å; V113-I117 HydrophobicContact CG1-CD1 4.14Å; V113-I117 HydrophobicContact CG1-CG1 4.45Å; V113-I117 WeakPolarHBondContact O-CG1 3.39Å; V113-I117 PolarHBondContact O-N 3.26Å; I117-V121 WeakPolarHBondContact O-CG2 3.49Å; I117-V121 PolarHBondContact O-N 3.28Å |
| 118 | G | 82.8 | Confident | 87.2 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.8 | -56.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N114 G115 T116 T120 V121 F122 | N114-G118 PolarHBondContact O-N 3.05Å; G115-G118 PolarHBondContact O-N 3.11Å; T116-G118 VanDerWaalsContact C-N 3.27Å; T116-G118 PolarHBondContact O-N 3.45Å; G118-T120 PolarHBondContact O-N 2.94Å; G118-V121 PolarHBondContact O-N 3.44Å; G118-V121 VanDerWaalsContact O-N 3.12Å; G118-F122 VanDerWaalsContact O-CD2 3.3Å; G118-F122 WeakPolarHBondContact O-CD2 3.46Å; G118-F122 PolarHBondContact O-N 2.96Å |
| 119 | L | 89.2 | Confident | 87.1 | Confident | 41 Ų | 41 | 23.7 Ų | 23.7 | 22% | 0.215 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.8 | -46.3 | -179.8 | 178.8 | 62.7 | 0 | 0 | 0 | 112.3 | G115 T116 V121 F122 C123 V589 F592 | G115-L119 PolarHBondContact O-N 2.85Å; T116-L119 PolarHBondContact O-N 3.31Å; L119-V121 VanDerWaalsContact C-N 3.26Å; L119-V121 PolarHBondContact O-N 3.03Å; L119-F122 PolarHBondContact O-N 2.91Å; L119-F122 VanDerWaalsContact O-N 3.16Å; L119-C123 WeakPolarHBondContact O-CB 3.43Å; L119-C123 PolarHBondContact O-N 3.25Å; L119-C123 PolarHBondContact O-SG 2.93Å; L119-V589 HydrophobicContact CD1-CG2 3.99Å; L119-F592 HydrophobicContact CB-CB 4.38Å; L119-F592 HydrophobicContact CD2-CD2 4.26Å; L119-F592 HydrophobicContact CD2-CG 4.43Å |
| 120 | T | 85.8 | Confident | 87.2 | Confident | 21 Ų | 21 | 27 Ų | 27 | 13% | 0.129 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -36.1 | 178.4 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | I39 I40 T116 G118 S124 | I39-T120 HydrophobicContact CG2-CG2 4.28Å; I40-T120 HydrophobicContact CG1-CG2 3.67Å; T116-T120 PolarHBondContact O-N 3.44Å; T116-T120 PolarHBondContact O-OG1 2.92Å; G118-T120 PolarHBondContact O-N 2.94Å; T120-S124 VanDerWaalsContact O-CB 3.29Å; T120-S124 WeakPolarHBondContact O-CB 3.29Å; T120-S124 PolarHBondContact O-N 3.44Å; T120-S124 PolarHBondContact O-OG 2.93Å; T120-S124 VanDerWaalsContact O-OG 3.13Å |
| 121 | V | 83.1 | Confident | 87.4 | Confident | 33 Ų | 33 | 28.8 Ų | 28.8 | 20% | 0.2 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.1 | -37.6 | 176.3 | 173 | 0 | 0 | 0 | 0 | 112.5 | I117 G118 L119 S124 T125 L154 | I117-V121 WeakPolarHBondContact O-CG2 3.49Å; I117-V121 PolarHBondContact O-N 3.28Å; G118-V121 PolarHBondContact O-N 3.44Å; G118-V121 VanDerWaalsContact O-N 3.12Å; L119-V121 VanDerWaalsContact C-N 3.26Å; L119-V121 PolarHBondContact O-N 3.03Å; V121-S124 WeakPolarHBondContact CA-OG 3.31Å; V121-S124 PolarHBondContact O-OG 3.45Å; V121-T125 WeakPolarHBondContact O-CB 3.42Å; V121-T125 PolarHBondContact O-N 3.38Å; V121-T125 VanDerWaalsContact O-N 3.14Å; V121-T125 PolarHBondContact O-OG1 2.82Å; V121-L154 HydrophobicContact CG1-CD1 3.99Å |
| 122 | F | 87.4 | Confident | 87.5 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.4 | -44.8 | 173 | -79.4 | -87 | 0 | 0 | 0 | 111.6 | G118 L119 T125 A126 F553 M584 I587 | G118-F122 VanDerWaalsContact O-CD2 3.3Å; G118-F122 WeakPolarHBondContact O-CD2 3.46Å; G118-F122 PolarHBondContact O-N 2.96Å; L119-F122 PolarHBondContact O-N 2.91Å; L119-F122 VanDerWaalsContact O-N 3.16Å; F122-T125 PolarHBondContact O-N 3.25Å; F122-A126 PolarHBondContact O-N 3.05Å; F122-F553 AromaticContact CD1-CD2 3.77Å; F122-F553 HydrophobicContact CD1-CD2 3.77Å; F122-F553 HydrophobicContact CD1-CE2 4.35Å; F122-F553 HydrophobicContact CE1-CB 3.73Å; F122-F553 AromaticContact CE1-CD2 3.42Å; F122-F553 HydrophobicContact CE1-CD2 3.42Å; F122-F553 VanDerWaalsContact CE1-CD2 3.42Å; F122-F553 HydrophobicContact CE1-CE2 4.39Å; F122-F553 AromaticContact CE1-CG 3.96Å; F122-F553 HydrophobicContact CE1-CG 3.96Å; F122-F553 HydrophobicContact CZ-CB 3.82Å; F122-F553 HydrophobicContact CZ-CD2 4.03Å; F122-F553 HydrophobicContact CZ-CG 4.21Å; F122-M584 HydrophobicContact CD1-CB 4.4Å; F122-M584 VanDerWaalsContact CD1-O 3.22Å; F122-M584 WeakPolarHBondContact CD1-O 3.44Å; F122-I587 HydrophobicContact CD1-CB 4.41Å; F122-I587 HydrophobicContact CD1-CG2 4.39Å; F122-I587 HydrophobicContact CE1-CB 3.94Å; F122-I587 HydrophobicContact CE1-CG2 3.51Å; F122-I587 HydrophobicContact CE2-CG2 4.43Å; F122-I587 HydrophobicContact CZ-CB 4.42Å; F122-I587 HydrophobicContact CZ-CG2 3.56Å |
| 123 | C | 88 | Confident | 87.5 | Confident | 36 Ų | 36 | 27.4 Ų | 27.4 | 24% | 0.243 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.5 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | L119 A126 I127 L585 | L119-C123 WeakPolarHBondContact O-CB 3.43Å; L119-C123 PolarHBondContact O-N 3.25Å; L119-C123 PolarHBondContact O-SG 2.93Å; C123-A126 PolarHBondContact O-N 2.9Å; C123-I127 WeakPolarHBondContact O-CD1 3.45Å; C123-I127 VanDerWaalsContact O-CG1 3.27Å; C123-I127 WeakPolarHBondContact O-CG1 3.37Å; C123-I127 PolarHBondContact O-N 2.62Å; C123-L585 HydrophobicContact CB-CD2 4.14Å; C123-L585 WeakPolarHBondContact SG-CD2 3.13Å |
| 124 | S | 86.4 | Confident | 87.7 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 8% | 0.077 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 177.9 | 65.2 | 0 | 0 | 0 | 0 | 112.1 | T120 V121 I127 L128 | T120-S124 VanDerWaalsContact O-CB 3.29Å; T120-S124 WeakPolarHBondContact O-CB 3.29Å; T120-S124 PolarHBondContact O-N 3.44Å; T120-S124 PolarHBondContact O-OG 2.93Å; T120-S124 VanDerWaalsContact O-OG 3.13Å; V121-S124 WeakPolarHBondContact CA-OG 3.31Å; V121-S124 PolarHBondContact O-OG 3.45Å; S124-I127 PolarHBondContact O-N 2.99Å; S124-L128 WeakPolarHBondContact O-CB 3.49Å; S124-L128 VanDerWaalsContact O-CG 3.29Å; S124-L128 WeakPolarHBondContact O-CG 3.04Å; S124-L128 PolarHBondContact O-N 2.86Å |
| 125 | T | 85.3 | Confident | 88 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.2 | -50.7 | 175 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | V121 F122 I127 L128 F129 F150 F553 M584 | V121-T125 WeakPolarHBondContact O-CB 3.42Å; V121-T125 PolarHBondContact O-N 3.38Å; V121-T125 VanDerWaalsContact O-N 3.14Å; V121-T125 PolarHBondContact O-OG1 2.82Å; F122-T125 PolarHBondContact O-N 3.25Å; T125-I127 PolarHBondContact O-N 3.22Å; T125-L128 PolarHBondContact O-N 3.45Å; T125-F129 HydrophobicContact CG2-CD2 3.74Å; T125-F129 HydrophobicContact CG2-CE2 3.83Å; T125-F129 WeakPolarHBondContact O-CD2 3.39Å; T125-F129 PolarHBondContact O-N 2.81Å; T125-F150 HydrophobicContact CG2-CD2 4.34Å; T125-F150 HydrophobicContact CG2-CE2 3.59Å; T125-F150 HydrophobicContact CG2-CZ 3.99Å; T125-F150 WeakPolarHBondContact OG1-CE2 3.5Å; T125-F553 HydrophobicContact CG2-CE2 3.93Å; T125-F553 HydrophobicContact CG2-CZ 4.22Å; T125-M584 HydrophobicContact CG2-CE 3.92Å; T125-M584 HydrophobicContact CG2-SD 3.67Å |
| 126 | A | 88.9 | Confident | 88 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F122 C123 W130 C581 M584 L585 | F122-A126 PolarHBondContact O-N 3.05Å; C123-A126 PolarHBondContact O-N 2.9Å; A126-W130 WeakPolarHBondContact O-CB 3.15Å; A126-W130 PolarHBondContact O-N 2.95Å; A126-C581 HydrophobicContact CB-CB 4.06Å; A126-C581 PolarHBondContact O-SG 3.36Å; A126-M584 HydrophobicContact CB-CB 4.43Å; A126-L585 HydrophobicContact CB-CD2 4.33Å; A126-L585 HydrophobicContact CB-CG 4.31Å |
| 127 | I | 89.7 | Confident | 87.9 | Confident | 88 Ų | 88 | 30.1 Ų | 30.1 | 45% | 0.451 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.1 | -45.4 | 177.7 | -69 | 164.9 | 0 | 0 | 0 | 111.3 | V32 I36 C123 S124 T125 W130 Y131 | V32-I127 HydrophobicContact CG1-CG2 4.19Å; I36-I127 HydrophobicContact CD1-CG2 4.31Å; C123-I127 WeakPolarHBondContact O-CD1 3.45Å; C123-I127 VanDerWaalsContact O-CG1 3.27Å; C123-I127 WeakPolarHBondContact O-CG1 3.37Å; C123-I127 PolarHBondContact O-N 2.62Å; S124-I127 PolarHBondContact O-N 2.99Å; T125-I127 PolarHBondContact O-N 3.22Å; I127-W130 PolarHBondContact O-N 2.76Å; I127-Y131 WeakPolarHBondContact O-CB 3.27Å; I127-Y131 PolarHBondContact O-N 2.93Å |
| 128 | L | 89.5 | Confident | 88 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | -178.8 | -75.8 | 168.9 | 0 | 0 | 0 | 112.1 | L29 V32 A33 I36 S124 T125 G132 F150 V153 | L29-L128 HydrophobicContact CD1-CD2 3.97Å; L29-L128 HydrophobicContact CG-CD2 4.45Å; V32-L128 HydrophobicContact CG1-CD2 4.25Å; A33-L128 HydrophobicContact CB-CD2 3.94Å; I36-L128 HydrophobicContact CD1-CD1 4.36Å; I36-L128 HydrophobicContact CD1-CD2 4.28Å; I36-L128 HydrophobicContact CD1-CG 3.99Å; S124-L128 WeakPolarHBondContact O-CB 3.49Å; S124-L128 VanDerWaalsContact O-CG 3.29Å; S124-L128 WeakPolarHBondContact O-CG 3.04Å; S124-L128 PolarHBondContact O-N 2.86Å; T125-L128 PolarHBondContact O-N 3.45Å; L128-G132 WeakPolarHBondContact O-CA 3.49Å; L128-G132 PolarHBondContact O-N 3.07Å; L128-F150 HydrophobicContact CD1-CD2 4.34Å; L128-V153 HydrophobicContact CD1-CG1 4.16Å |
| 129 | F | 89.5 | Confident | 88.1 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.2 | -43.2 | 174.8 | -80.5 | -69.4 | 0 | 0 | 0 | 112 | T125 Y131 G132 F133 I146 F150 Y557 M560 | T125-F129 HydrophobicContact CG2-CD2 3.74Å; T125-F129 HydrophobicContact CG2-CE2 3.83Å; T125-F129 WeakPolarHBondContact O-CD2 3.39Å; T125-F129 PolarHBondContact O-N 2.81Å; F129-Y131 VanDerWaalsContact C-N 3.34Å; F129-Y131 PolarHBondContact O-N 3.23Å; F129-G132 PolarHBondContact O-N 2.84Å; F129-F133 HydrophobicContact CB-CD2 4.46Å; F129-F133 HydrophobicContact CD1-CD2 4.41Å; F129-F133 AromaticContact CD1-CE2 3.98Å; F129-F133 HydrophobicContact CD1-CE2 3.98Å; F129-F133 WeakPolarHBondContact O-CD2 3.36Å; F129-F133 PolarHBondContact O-N 2.99Å; F129-I146 HydrophobicContact CD1-CG2 4.11Å; F129-I146 HydrophobicContact CE1-CG2 4.08Å; F129-F150 HydrophobicContact CE2-CD1 4.19Å; F129-F150 AromaticContact CE2-CD2 3.92Å; F129-F150 HydrophobicContact CE2-CD2 3.92Å; F129-F150 HydrophobicContact CE2-CE2 4.27Å; F129-F150 AromaticContact CE2-CG 3.89Å; F129-F150 HydrophobicContact CE2-CG 3.89Å; F129-F150 HydrophobicContact CZ-CB 4.33Å; F129-F150 HydrophobicContact CZ-CD1 4.19Å; F129-F150 HydrophobicContact CZ-CG 4.04Å; F129-Y557 AromaticContact CE2-CD2 3.96Å; F129-Y557 HydrophobicContact CE2-CD2 3.96Å; F129-Y557 HydrophobicContact CE2-CE2 4.13Å; F129-Y557 HydrophobicContact CZ-CD2 4.04Å; F129-Y557 AromaticContact CZ-CE2 3.85Å; F129-Y557 HydrophobicContact CZ-CE2 3.85Å; F129-M560 HydrophobicContact CB-CE 3.79Å; F129-M560 HydrophobicContact CB-CG 4.5Å; F129-M560 HydrophobicContact CB-SD 4.02Å; F129-M560 HydrophobicContact CD1-CB 3.98Å; F129-M560 HydrophobicContact CD1-CG 3.83Å; F129-M560 HydrophobicContact CD1-SD 4.23Å; F129-M560 HydrophobicContact CD2-CE 4.16Å; F129-M560 HydrophobicContact CD2-CG 4Å; F129-M560 HydrophobicContact CE1-CB 3.85Å; F129-M560 HydrophobicContact CE1-CG 4Å; F129-M560 HydrophobicContact CE2-CG 4.17Å; F129-M560 HydrophobicContact CG-CB 4.5Å; F129-M560 HydrophobicContact CG-CE 4.01Å; F129-M560 HydrophobicContact CG-CG 3.84Å; F129-M560 HydrophobicContact CG-SD 4.01Å; F129-M560 HydrophobicContact CZ-CB 4.26Å; F129-M560 HydrophobicContact CZ-CG 4.17Å |
| 130 | W | 90.2 | Very high | 87.8 | Confident | 97 Ų | 97 | 43.5 Ų | 43.5 | 37% | 0.367 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.8 | -45.5 | 177.5 | -175.8 | -105.2 | 0 | 0 | 0 | 112.6 | A126 I127 K134 F574 L577 T578 | A126-W130 WeakPolarHBondContact O-CB 3.15Å; A126-W130 PolarHBondContact O-N 2.95Å; I127-W130 PolarHBondContact O-N 2.76Å; W130-K134 WeakPolarHBondContact O-CB 3.25Å; W130-K134 PolarHBondContact O-N 2.92Å; W130-F574 AromaticContact CH2-CD1 3.95Å; W130-F574 HydrophobicContact CH2-CD1 3.95Å; W130-F574 HydrophobicContact CZ2-CD1 4.45Å; W130-F574 HydrophobicContact CZ3-CD1 4.2Å; W130-L577 HydrophobicContact CD2-CD2 4.44Å; W130-L577 HydrophobicContact CE3-CD2 3.61Å; W130-L577 HydrophobicContact CE3-CG 3.71Å; W130-L577 HydrophobicContact CZ3-CB 4.27Å; W130-L577 HydrophobicContact CZ3-CD2 3.88Å; W130-L577 HydrophobicContact CZ3-CG 3.95Å; W130-T578 VanDerWaalsContact CH2-OG1 3.28Å; W130-T578 WeakPolarHBondContact CH2-OG1 3.42Å; W130-T578 VanDerWaalsContact CZ3-OG1 3.23Å; W130-T578 WeakPolarHBondContact CZ3-OG1 3.3Å |
| 131 | Y | 91.3 | Very high | 87.8 | Confident | 80 Ų | 80 | 43.9 Ų | 43.9 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -74 | -38.7 | 176.9 | -169.7 | -100.6 | 0 | 0 | 0 | 112.5 | L29 V32 I127 F129 K134 L135 | L29-Y131 HydrophobicContact CD1-CD1 3.88Å; V32-Y131 HydrophobicContact CB-CD1 4.29Å; V32-Y131 HydrophobicContact CG2-CD1 3.66Å; V32-Y131 HydrophobicContact CG2-CE1 3.57Å; V32-Y131 HydrophobicContact CG2-CG 4.17Å; I127-Y131 WeakPolarHBondContact O-CB 3.27Å; I127-Y131 PolarHBondContact O-N 2.93Å; F129-Y131 VanDerWaalsContact C-N 3.34Å; F129-Y131 PolarHBondContact O-N 3.23Å; Y131-K134 WeakPolarHBondContact O-CB 3.49Å; Y131-K134 PolarHBondContact O-N 2.94Å; Y131-L135 HydrophobicContact CD1-CD1 3.96Å; Y131-L135 HydrophobicContact CD1-CG 4.18Å; Y131-L135 HydrophobicContact CE1-CD1 3.68Å; Y131-L135 HydrophobicContact CE1-CD2 4.07Å; Y131-L135 HydrophobicContact CE1-CG 3.9Å; Y131-L135 PolarHBondContact O-N 2.92Å |
| 132 | G | 91 | Very high | 88 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57 | -54.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L128 F129 K134 L135 I136 I146 | L128-G132 WeakPolarHBondContact O-CA 3.49Å; L128-G132 PolarHBondContact O-N 3.07Å; F129-G132 PolarHBondContact O-N 2.84Å; G132-K134 PolarHBondContact O-N 3.42Å; G132-L135 WeakPolarHBondContact O-CA 3.42Å; G132-L135 WeakPolarHBondContact O-CB 3.35Å; G132-L135 PolarHBondContact O-N 2.66Å; G132-I136 WeakPolarHBondContact O-CG1 3.1Å; G132-I136 PolarHBondContact O-N 3.42Å; G132-I146 WeakPolarHBondContact O-CD1 3.14Å |
| 133 | F | 89.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.2 | -33.3 | 176.1 | -84.1 | -76.3 | 0 | 0 | 0 | 113.1 | F129 L135 I136 V137 M560 I563 F564 L573 L577 | F129-F133 HydrophobicContact CB-CD2 4.46Å; F129-F133 HydrophobicContact CD1-CD2 4.41Å; F129-F133 AromaticContact CD1-CE2 3.98Å; F129-F133 HydrophobicContact CD1-CE2 3.98Å; F129-F133 WeakPolarHBondContact O-CD2 3.36Å; F129-F133 PolarHBondContact O-N 2.99Å; F133-L135 VanDerWaalsContact C-N 3.31Å; F133-L135 PolarHBondContact O-N 2.77Å; F133-I136 HydrophobicContact CD1-CD1 3.61Å; F133-I136 HydrophobicContact CE1-CD1 3.9Å; F133-I136 HydrophobicContact CG-CD1 4.26Å; F133-I136 PolarHBondContact O-N 2.75Å; F133-V137 PolarHBondContact O-N 3.41Å; F133-V137 VanDerWaalsContact O-N 3.17Å; F133-M560 HydrophobicContact CE2-CB 4.35Å; F133-M560 HydrophobicContact CE2-SD 4.14Å; F133-M560 WeakPolarHBondContact CZ-O 3.44Å; F133-I563 HydrophobicContact CD1-CG2 4.02Å; F133-I563 HydrophobicContact CE1-CB 3.91Å; F133-I563 HydrophobicContact CE1-CG2 3.52Å; F133-I563 HydrophobicContact CE2-CB 4.47Å; F133-I563 HydrophobicContact CE2-CG2 4.4Å; F133-I563 HydrophobicContact CZ-CB 3.72Å; F133-I563 HydrophobicContact CZ-CG2 3.75Å; F133-F564 HydrophobicContact CD1-CD1 4.33Å; F133-F564 HydrophobicContact CD1-CE1 4.45Å; F133-F564 AromaticContact CE1-CD1 3.35Å; F133-F564 HydrophobicContact CE1-CD1 3.35Å; F133-F564 AromaticContact CE1-CE1 3.63Å; F133-F564 HydrophobicContact CE1-CE1 3.63Å; F133-F564 HydrophobicContact CE1-CG 4.13Å; F133-F564 HydrophobicContact CE2-CE1 4.1Å; F133-F564 HydrophobicContact CE2-CZ 4.48Å; F133-F564 AromaticContact CZ-CD1 3.49Å; F133-F564 HydrophobicContact CZ-CD1 3.49Å; F133-F564 VanDerWaalsContact CZ-CD1 3.49Å; F133-F564 AromaticContact CZ-CE1 3.4Å; F133-F564 HydrophobicContact CZ-CE1 3.4Å; F133-F564 VanDerWaalsContact CZ-CE1 3.4Å; F133-F564 HydrophobicContact CZ-CG 4.1Å; F133-F564 AromaticContact CZ-CZ 3.97Å; F133-F564 HydrophobicContact CZ-CZ 3.97Å; F133-L573 HydrophobicContact CB-CD2 4.28Å; F133-L573 HydrophobicContact CD1-CD1 4.25Å; F133-L573 HydrophobicContact CD1-CD2 4.11Å; F133-L573 HydrophobicContact CD1-CG 4.37Å; F133-L573 HydrophobicContact CG-CD2 4.49Å; F133-L577 HydrophobicContact CB-CD2 3.43Å; F133-L577 VanDerWaalsContact CB-CD2 3.43Å; F133-L577 HydrophobicContact CD2-CD1 3.42Å; F133-L577 VanDerWaalsContact CD2-CD1 3.42Å; F133-L577 HydrophobicContact CD2-CD2 3.94Å; F133-L577 HydrophobicContact CD2-CG 4.31Å; F133-L577 HydrophobicContact CE2-CD1 3.84Å; F133-L577 HydrophobicContact CG-CD1 4.13Å; F133-L577 HydrophobicContact CG-CD2 3.84Å |
| 134 | K | 89.6 | Confident | 87.8 | Confident | 95 Ų | 95 | 48.1 Ų | 48.1 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.6 | -30.9 | 172.7 | -172.3 | 178.2 | -179.8 | 178 | 0 | 112.8 | W130 Y131 G132 K138 F574 | W130-K134 WeakPolarHBondContact O-CB 3.25Å; W130-K134 PolarHBondContact O-N 2.92Å; Y131-K134 WeakPolarHBondContact O-CB 3.49Å; Y131-K134 PolarHBondContact O-N 2.94Å; G132-K134 PolarHBondContact O-N 3.42Å; K134-K138 WeakPolarHBondContact O-CB 3.47Å; K134-K138 WeakPolarHBondContact O-CG 3.13Å; K134-K138 PolarHBondContact O-N 2.91Å; K134-F574 HydrophobicContact CB-CE1 4.36Å; K134-F574 HydrophobicContact CB-CZ 4.43Å |
| 135 | L | 90.2 | Very high | 87.9 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.3 | -39.3 | 170.2 | -66.1 | 174 | 0 | 0 | 0 | 112 | K28 L29 Y131 G132 F133 V137 K138 E139 Y141 | K28-L135 HydrophobicContact CB-CD1 4.26Å; K28-L135 HydrophobicContact CD-CD2 4.35Å; L29-L135 HydrophobicContact CB-CD1 4.13Å; Y131-L135 HydrophobicContact CD1-CD1 3.96Å; Y131-L135 HydrophobicContact CD1-CG 4.18Å; Y131-L135 HydrophobicContact CE1-CD1 3.68Å; Y131-L135 HydrophobicContact CE1-CD2 4.07Å; Y131-L135 HydrophobicContact CE1-CG 3.9Å; Y131-L135 PolarHBondContact O-N 2.92Å; G132-L135 WeakPolarHBondContact O-CA 3.42Å; G132-L135 WeakPolarHBondContact O-CB 3.35Å; G132-L135 PolarHBondContact O-N 2.66Å; F133-L135 VanDerWaalsContact C-N 3.31Å; F133-L135 PolarHBondContact O-N 2.77Å; L135-V137 VanDerWaalsContact C-N 3.32Å; L135-V137 PolarHBondContact O-N 3.05Å; L135-K138 PolarHBondContact O-N 3.37Å; L135-E139 HydrophobicContact CD2-CG 4.41Å; L135-E139 WeakPolarHBondContact O-CA 3.47Å; L135-E139 PolarHBondContact O-N 3.09Å; L135-Y141 HydrophobicContact CB-CD2 4.18Å; L135-Y141 HydrophobicContact CB-CG 3.91Å; L135-Y141 HydrophobicContact CD1-CD2 4.02Å; L135-Y141 HydrophobicContact CD1-CE2 4.04Å; L135-Y141 HydrophobicContact CD1-CG 4.3Å |
| 136 | I | 88.3 | Confident | 88.1 | Confident | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.1 | -48.9 | 175.9 | -50.6 | 178.3 | 0 | 0 | 0 | 110.5 | G132 F133 K138 D140 I146 F564 R567 | G132-I136 WeakPolarHBondContact O-CG1 3.1Å; G132-I136 PolarHBondContact O-N 3.42Å; F133-I136 HydrophobicContact CD1-CD1 3.61Å; F133-I136 HydrophobicContact CE1-CD1 3.9Å; F133-I136 HydrophobicContact CG-CD1 4.26Å; F133-I136 PolarHBondContact O-N 2.75Å; I136-K138 VanDerWaalsContact C-N 3.34Å; I136-K138 PolarHBondContact O-N 2.88Å; I136-D140 PolarHBondContact O-N 3.3Å; I136-I146 HydrophobicContact CD1-CD1 3.51Å; I136-I146 HydrophobicContact CG1-CD1 3.38Å; I136-F564 HydrophobicContact CD1-CD1 3.62Å; I136-F564 HydrophobicContact CD1-CE1 3.68Å; I136-R567 HydrophobicContact CG2-CG 4.4Å |
| 137 | V | 86.5 | Confident | 88.1 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 36% | 0.358 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.1 | -26.3 | -175.9 | 178.3 | 0 | 0 | 0 | 0 | 112.6 | F133 L135 P570 L573 F574 | F133-V137 PolarHBondContact O-N 3.41Å; F133-V137 VanDerWaalsContact O-N 3.17Å; L135-V137 VanDerWaalsContact C-N 3.32Å; L135-V137 PolarHBondContact O-N 3.05Å; V137-P570 HydrophobicContact CG1-CB 4.29Å; V137-L573 HydrophobicContact CG2-CD1 4.26Å; V137-L573 HydrophobicContact CG2-CD2 4.25Å; V137-F574 HydrophobicContact CB-CE2 4.31Å; V137-F574 HydrophobicContact CB-CZ 4.33Å; V137-F574 HydrophobicContact CG1-CE2 4.17Å; V137-F574 HydrophobicContact CG2-CE2 4.09Å; V137-F574 HydrophobicContact CG2-CZ 4.19Å |
| 138 | K | 86.7 | Confident | 88.1 | Confident | 163 Ų | 163 | 47.3 Ų | 47.3 | 71% | 0.709 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -101.1 | -27.8 | -176.3 | -75.6 | -164.9 | 166.1 | -128.4 | 0 | 115.8 | K134 L135 I136 | K134-K138 WeakPolarHBondContact O-CB 3.47Å; K134-K138 WeakPolarHBondContact O-CG 3.13Å; K134-K138 PolarHBondContact O-N 2.91Å; L135-K138 PolarHBondContact O-N 3.37Å; I136-K138 VanDerWaalsContact C-N 3.34Å; I136-K138 PolarHBondContact O-N 2.88Å |
| 139 | E | 84.5 | Confident | 88.1 | Confident | 92 Ų | 92 | 47.1 Ų | 47.1 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -136.6 | 10.2 | -165.2 | -53.4 | -167.6 | 165.4 | 0 | 0 | 113.6 | K28 L135 Y141 | K28-E139 WeakPolarHBondContact CD-OE2 3.31Å; K28-E139 WeakPolarHBondContact CE-OE2 3.49Å; K28-E139 IonicContact NZ-OE1 2.95Å; K28-E139 PolarHBondContact NZ-OE1 3.34Å; K28-E139 IonicContact NZ-OE2 2.73Å; K28-E139 PolarHBondContact NZ-OE2 3.28Å; L135-E139 HydrophobicContact CD2-CG 4.41Å; L135-E139 WeakPolarHBondContact O-CA 3.47Å; L135-E139 PolarHBondContact O-N 3.09Å; E139-Y141 PolarHBondContact O-N 3.35Å |
| 140 | D | 81.5 | Confident | 88 | Confident | 109 Ų | 109 | 47.4 Ų | 47.4 | 58% | 0.583 | 24% | 0.241 | S | C | * | . | trans | 53.6 | 38.4 | -175.3 | -146 | -30.3 | 0 | 0 | 0 | 113.6 | I136 R567 | I136-D140 PolarHBondContact O-N 3.3Å; D140-R567 IonicContact OD1-CZ 3.16Å; D140-R567 IonicContact OD1-NH1 2.71Å; D140-R567 PolarHBondContact OD1-NH1 2.9Å; D140-R567 IonicContact OD1-NH2 3.19Å; D140-R567 PolarHBondContact OD1-NH2 3.2Å; D140-R567 IonicContact OD2-CZ 2.72Å; D140-R567 IonicContact OD2-NH1 2.79Å; D140-R567 IonicContact OD2-NH2 2.78Å; D140-R567 PolarHBondContact OD2-NH2 2.79Å | ||
| 141 | Y | 85.8 | Confident | 87.8 | Confident | 29 Ų | 29 | 45 Ų | 45 | 11% | 0.114 | 24% | 0.237 | C | C | . | . | trans | -71.4 | 136.6 | -178.3 | -160.6 | -84.8 | 0 | 0 | 0 | 111.1 | G26 L29 L135 E139 A145 I146 I149 | G26-Y141 WeakPolarHBondContact CA-OH 3.44Å; G26-Y141 PolarHBondContact O-OH 3.12Å; L29-Y141 WeakPolarHBondContact CB-OH 3.49Å; L29-Y141 HydrophobicContact CD2-CE1 4.42Å; L135-Y141 HydrophobicContact CB-CD2 4.18Å; L135-Y141 HydrophobicContact CB-CG 3.91Å; L135-Y141 HydrophobicContact CD1-CD2 4.02Å; L135-Y141 HydrophobicContact CD1-CE2 4.04Å; L135-Y141 HydrophobicContact CD1-CG 4.3Å; E139-Y141 PolarHBondContact O-N 3.35Å; Y141-A145 HydrophobicContact CD1-CB 4.32Å; Y141-A145 HydrophobicContact CE1-CB 3.72Å; Y141-I146 HydrophobicContact CD1-CD1 4.02Å; Y141-I146 HydrophobicContact CD1-CG1 3.69Å; Y141-I146 HydrophobicContact CE1-CG1 3.73Å; Y141-I149 VanDerWaalsContact OH-CD1 3.27Å; Y141-I149 WeakPolarHBondContact OH-CD1 3.35Å | ||
| 142 | D | 87.3 | Confident | 87.7 | Confident | 99 Ų | 99 | 42.7 Ų | 42.7 | 53% | 0.529 | 23% | 0.23 | S | C | . | . | trans | -66.5 | 139.8 | -176.1 | 172 | 43.5 | 0 | 0 | 0 | 113.3 | G144 A145 I146 | D142-G144 PolarHBondContact OD1-N 3.01Å; D142-G144 WeakPolarHBondContact OD2-CA 3.4Å; D142-G144 PolarHBondContact OD2-N 3.12Å; D142-A145 HydrophobicContact CB-CB 3.98Å; D142-A145 PolarHBondContact OD2-N 3.33Å; D142-I146 WeakPolarHBondContact O-CG1 3.48Å; D142-I146 PolarHBondContact O-N 3.39Å | ||
| 143 | A | 85.7 | Confident | 87.4 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 24% | 0.24 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -38.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I146 V147 F564 | A143-I146 PolarHBondContact O-N 2.78Å; A143-V147 WeakPolarHBondContact O-CG2 3.22Å; A143-V147 PolarHBondContact O-N 3.08Å; A143-F564 HydrophobicContact CB-CB 4.4Å; A143-F564 HydrophobicContact CB-CD1 3.49Å; A143-F564 VanDerWaalsContact CB-CD1 3.49Å; A143-F564 HydrophobicContact CB-CD2 4.14Å; A143-F564 HydrophobicContact CB-CE1 3.63Å; A143-F564 HydrophobicContact CB-CE2 4.28Å; A143-F564 HydrophobicContact CB-CG 3.78Å; A143-F564 HydrophobicContact CB-CZ 4.04Å |
| 144 | G | 85.9 | Confident | 87.1 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D142 V147 T148 | D142-G144 PolarHBondContact OD1-N 3.01Å; D142-G144 WeakPolarHBondContact OD2-CA 3.4Å; D142-G144 PolarHBondContact OD2-N 3.12Å; G144-V147 PolarHBondContact O-N 3.14Å; G144-T148 WeakPolarHBondContact O-CB 3.5Å; G144-T148 PolarHBondContact O-N 2.92Å; G144-T148 PolarHBondContact O-OG1 3.47Å |
| 145 | A | 88.8 | Confident | 86.8 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V25 Y141 D142 V147 T148 I149 | V25-A145 VanDerWaalsContact CG1-CA 3.49Å; V25-A145 HydrophobicContact CG1-CB 3.5Å; Y141-A145 HydrophobicContact CD1-CB 4.32Å; Y141-A145 HydrophobicContact CE1-CB 3.72Å; D142-A145 HydrophobicContact CB-CB 3.98Å; D142-A145 PolarHBondContact OD2-N 3.33Å; A145-V147 PolarHBondContact O-N 3.13Å; A145-T148 PolarHBondContact O-N 3.48Å; A145-I149 WeakPolarHBondContact O-CB 3.4Å; A145-I149 VanDerWaalsContact O-CG1 3.31Å; A145-I149 WeakPolarHBondContact O-CG1 3.24Å; A145-I149 PolarHBondContact O-N 3.43Å |
| 146 | I | 90 | Very high | 86.5 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 177.6 | -65.2 | 162.1 | 0 | 0 | 0 | 111.1 | L29 F129 G132 I136 Y141 D142 A143 F150 F564 | L29-I146 HydrophobicContact CD2-CB 4.15Å; L29-I146 HydrophobicContact CD2-CG1 3.93Å; L29-I146 HydrophobicContact CD2-CG2 4.14Å; F129-I146 HydrophobicContact CD1-CG2 4.11Å; F129-I146 HydrophobicContact CE1-CG2 4.08Å; G132-I146 WeakPolarHBondContact O-CD1 3.14Å; I136-I146 HydrophobicContact CD1-CD1 3.51Å; I136-I146 HydrophobicContact CG1-CD1 3.38Å; Y141-I146 HydrophobicContact CD1-CD1 4.02Å; Y141-I146 HydrophobicContact CD1-CG1 3.69Å; Y141-I146 HydrophobicContact CE1-CG1 3.73Å; D142-I146 WeakPolarHBondContact O-CG1 3.48Å; D142-I146 PolarHBondContact O-N 3.39Å; A143-I146 PolarHBondContact O-N 2.78Å; I146-F150 WeakPolarHBondContact O-CB 3.06Å; I146-F150 PolarHBondContact O-N 3.12Å; I146-F564 HydrophobicContact CD1-CE1 4.39Å |
| 147 | V | 88.2 | Confident | 86.2 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 179.7 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | A143 G144 A145 F150 V151 Y561 F564 | A143-V147 WeakPolarHBondContact O-CG2 3.22Å; A143-V147 PolarHBondContact O-N 3.08Å; G144-V147 PolarHBondContact O-N 3.14Å; A145-V147 PolarHBondContact O-N 3.13Å; V147-F150 PolarHBondContact O-N 3.41Å; V147-V151 HydrophobicContact CG1-CG2 4.44Å; V147-V151 WeakPolarHBondContact O-CB 3.42Å; V147-V151 WeakPolarHBondContact O-CG2 3.43Å; V147-V151 PolarHBondContact O-N 3.2Å; V147-Y561 HydrophobicContact CG1-CE1 4.04Å; V147-Y561 WeakPolarHBondContact CG1-OH 3.42Å; V147-Y561 HydrophobicContact CG2-CD1 4.4Å; V147-Y561 HydrophobicContact CG2-CE1 3.62Å; V147-F564 HydrophobicContact CG2-CE2 3.87Å; V147-F564 HydrophobicContact CG2-CZ 3.85Å |
| 148 | T | 89.8 | Confident | 85.8 | Confident | 55 Ų | 55 | 44.4 Ų | 44.4 | 34% | 0.337 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | I21 V25 G144 A145 F150 V151 N152 | I21-T148 HydrophobicContact CG2-CG2 4.26Å; V25-T148 HydrophobicContact CG2-CG2 4.31Å; G144-T148 WeakPolarHBondContact O-CB 3.5Å; G144-T148 PolarHBondContact O-N 2.92Å; G144-T148 PolarHBondContact O-OG1 3.47Å; A145-T148 PolarHBondContact O-N 3.48Å; T148-F150 PolarHBondContact O-N 2.89Å; T148-V151 PolarHBondContact O-N 3.47Å; T148-N152 WeakPolarHBondContact O-CB 3.26Å; T148-N152 VanDerWaalsContact O-CG 3.27Å; T148-N152 PolarHBondContact O-N 2.91Å; T148-N152 PolarHBondContact O-ND2 2.76Å |
| 149 | I | 90.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 178.3 | -69.2 | 168.9 | 0 | 0 | 0 | 110.5 | N22 V25 L29 A33 Y141 A145 N152 V153 | N22-I149 HydrophobicContact CB-CG1 4.13Å; N22-I149 HydrophobicContact CB-CG2 4.4Å; N22-I149 WeakPolarHBondContact OD1-CA 3.43Å; V25-I149 HydrophobicContact CB-CG1 4.47Å; V25-I149 HydrophobicContact CG1-CD1 4.17Å; V25-I149 HydrophobicContact CG1-CG1 4.15Å; L29-I149 HydrophobicContact CB-CD1 4.03Å; L29-I149 HydrophobicContact CD2-CB 4.11Å; L29-I149 HydrophobicContact CD2-CD1 4.14Å; L29-I149 HydrophobicContact CD2-CG2 4.06Å; L29-I149 HydrophobicContact CG-CD1 4.39Å; L29-I149 HydrophobicContact CG-CG2 3.98Å; A33-I149 HydrophobicContact CB-CG2 4.45Å; Y141-I149 VanDerWaalsContact OH-CD1 3.27Å; Y141-I149 WeakPolarHBondContact OH-CD1 3.35Å; A145-I149 WeakPolarHBondContact O-CB 3.4Å; A145-I149 VanDerWaalsContact O-CG1 3.31Å; A145-I149 WeakPolarHBondContact O-CG1 3.24Å; A145-I149 PolarHBondContact O-N 3.43Å; I149-N152 PolarHBondContact O-N 2.94Å; I149-V153 HydrophobicContact CG2-CG2 4.41Å; I149-V153 WeakPolarHBondContact O-CB 3.39Å; I149-V153 WeakPolarHBondContact O-CG2 3.37Å; I149-V153 PolarHBondContact O-N 2.97Å |
| 150 | F | 87.3 | Confident | 85.7 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -50.6 | 175.4 | 169.4 | -96.7 | 0 | 0 | 0 | 112.7 | T125 L128 F129 I146 V147 T148 N152 V153 L154 F553 Y557 | T125-F150 HydrophobicContact CG2-CD2 4.34Å; T125-F150 HydrophobicContact CG2-CE2 3.59Å; T125-F150 HydrophobicContact CG2-CZ 3.99Å; T125-F150 WeakPolarHBondContact OG1-CE2 3.5Å; L128-F150 HydrophobicContact CD1-CD2 4.34Å; F129-F150 HydrophobicContact CE2-CD1 4.19Å; F129-F150 AromaticContact CE2-CD2 3.92Å; F129-F150 HydrophobicContact CE2-CD2 3.92Å; F129-F150 HydrophobicContact CE2-CE2 4.27Å; F129-F150 AromaticContact CE2-CG 3.89Å; F129-F150 HydrophobicContact CE2-CG 3.89Å; F129-F150 HydrophobicContact CZ-CB 4.33Å; F129-F150 HydrophobicContact CZ-CD1 4.19Å; F129-F150 HydrophobicContact CZ-CG 4.04Å; I146-F150 WeakPolarHBondContact O-CB 3.06Å; I146-F150 PolarHBondContact O-N 3.12Å; V147-F150 PolarHBondContact O-N 3.41Å; T148-F150 PolarHBondContact O-N 2.89Å; F150-N152 VanDerWaalsContact C-N 3.35Å; F150-N152 PolarHBondContact O-N 3.16Å; F150-V153 PolarHBondContact O-N 2.94Å; F150-L154 HydrophobicContact CE1-CD2 4.11Å; F150-L154 HydrophobicContact CZ-CB 4.34Å; F150-L154 HydrophobicContact CZ-CD2 3.96Å; F150-L154 PolarHBondContact O-N 3.01Å; F150-F553 HydrophobicContact CZ-CZ 4.19Å; F150-Y557 HydrophobicContact CD1-CD2 4.22Å; F150-Y557 AromaticContact CD1-CE2 3.4Å; F150-Y557 HydrophobicContact CD1-CE2 3.4Å; F150-Y557 VanDerWaalsContact CD1-CE2 3.4Å; F150-Y557 AromaticContact CE1-CD2 3.66Å; F150-Y557 HydrophobicContact CE1-CD2 3.66Å; F150-Y557 AromaticContact CE1-CE2 3.17Å; F150-Y557 HydrophobicContact CE1-CE2 3.17Å; F150-Y557 AromaticContact CE1-CZ 3.84Å; F150-Y557 HydrophobicContact CG-CE2 4.48Å; F150-Y557 HydrophobicContact CZ-CD2 4.18Å; F150-Y557 HydrophobicContact CZ-CE2 4.11Å |
| 151 | V | 85.9 | Confident | 85.5 | Confident | 48 Ų | 48 | 32.6 Ų | 32.6 | 29% | 0.291 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.3 | -42.8 | -178.1 | 169.2 | 0 | 0 | 0 | 0 | 111 | V147 T148 V153 L154 L155 | V147-V151 HydrophobicContact CG1-CG2 4.44Å; V147-V151 WeakPolarHBondContact O-CB 3.42Å; V147-V151 WeakPolarHBondContact O-CG2 3.43Å; V147-V151 PolarHBondContact O-N 3.2Å; T148-V151 PolarHBondContact O-N 3.47Å; V151-V153 PolarHBondContact O-N 3.33Å; V151-L154 PolarHBondContact O-N 3.32Å; V151-L155 HydrophobicContact CG1-CD1 3.81Å; V151-L155 HydrophobicContact CG1-CG 4.3Å; V151-L155 WeakPolarHBondContact O-CB 3.04Å; V151-L155 WeakPolarHBondContact O-CG 3.33Å; V151-L155 PolarHBondContact O-N 2.98Å |
| 152 | N | 88 | Confident | 85.1 | Confident | 30 Ų | 30 | 34.1 Ų | 34.1 | 16% | 0.16 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -35.9 | 176.5 | -74 | -15.9 | 0 | 0 | 0 | 112.8 | I21 N22 T148 I149 F150 G156 | I21-N152 VanDerWaalsContact CG2-ND2 3.3Å; I21-N152 WeakPolarHBondContact CG2-ND2 3.31Å; N22-N152 WeakPolarHBondContact OD1-CB 3.29Å; N22-N152 PolarHBondContact OD1-ND2 2.98Å; T148-N152 WeakPolarHBondContact O-CB 3.26Å; T148-N152 VanDerWaalsContact O-CG 3.27Å; T148-N152 PolarHBondContact O-N 2.91Å; T148-N152 PolarHBondContact O-ND2 2.76Å; I149-N152 PolarHBondContact O-N 2.94Å; F150-N152 VanDerWaalsContact C-N 3.35Å; F150-N152 PolarHBondContact O-N 3.16Å; N152-G156 WeakPolarHBondContact O-CA 3.5Å; N152-G156 PolarHBondContact O-N 3.35Å |
| 153 | V | 85.8 | Confident | 84.8 | Confident | 14 Ų | 14 | 29.6 Ų | 29.6 | 9% | 0.085 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.2 | -43.2 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 111 | A33 L128 I149 F150 V151 S157 | A33-V153 HydrophobicContact CB-CG2 3.43Å; A33-V153 VanDerWaalsContact CB-CG2 3.43Å; L128-V153 HydrophobicContact CD1-CG1 4.16Å; I149-V153 HydrophobicContact CG2-CG2 4.41Å; I149-V153 WeakPolarHBondContact O-CB 3.39Å; I149-V153 WeakPolarHBondContact O-CG2 3.37Å; I149-V153 PolarHBondContact O-N 2.97Å; F150-V153 PolarHBondContact O-N 2.94Å; V151-V153 PolarHBondContact O-N 3.33Å; V153-S157 WeakPolarHBondContact O-CB 3.41Å; V153-S157 PolarHBondContact O-N 3.45Å; V153-S157 PolarHBondContact O-OG 3.32Å |
| 154 | L | 82.3 | Confident | 84.5 | Confident | 46 Ų | 46 | 32.8 Ų | 32.8 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -53.7 | 177.5 | -176.9 | 63.7 | 0 | 0 | 0 | 110.8 | V121 F150 V151 S157 V158 | V121-L154 HydrophobicContact CG1-CD1 3.99Å; F150-L154 HydrophobicContact CE1-CD2 4.11Å; F150-L154 HydrophobicContact CZ-CB 4.34Å; F150-L154 HydrophobicContact CZ-CD2 3.96Å; F150-L154 PolarHBondContact O-N 3.01Å; V151-L154 PolarHBondContact O-N 3.32Å; L154-S157 PolarHBondContact O-N 2.94Å; L154-S157 PolarHBondContact O-OG 3.05Å; L154-V158 PolarHBondContact O-N 3.45Å |
| 155 | L | 83.9 | Confident | 83.9 | Confident | 74 Ų | 74 | 34.9 Ų | 34.9 | 39% | 0.387 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63 | -43.4 | 178 | -67.8 | 176.5 | 0 | 0 | 0 | 111.7 | V151 S157 V158 F159 | V151-L155 HydrophobicContact CG1-CD1 3.81Å; V151-L155 HydrophobicContact CG1-CG 4.3Å; V151-L155 WeakPolarHBondContact O-CB 3.04Å; V151-L155 WeakPolarHBondContact O-CG 3.33Å; V151-L155 PolarHBondContact O-N 2.98Å; L155-S157 VanDerWaalsContact C-N 3.32Å; L155-S157 PolarHBondContact O-N 3.25Å; L155-V158 PolarHBondContact O-N 3.21Å; L155-V158 VanDerWaalsContact O-N 3.12Å; L155-F159 HydrophobicContact CB-CD2 4.5Å; L155-F159 HydrophobicContact CB-CE2 4.02Å; L155-F159 HydrophobicContact CB-CZ 4.41Å; L155-F159 VanDerWaalsContact O-CD2 3.28Å; L155-F159 WeakPolarHBondContact O-CD2 3.47Å; L155-F159 VanDerWaalsContact O-CG 3.29Å; L155-F159 WeakPolarHBondContact O-CG 3.34Å; L155-F159 PolarHBondContact O-N 2.87Å |
| 156 | G | 84.1 | Confident | 83.2 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F15 N152 V158 F159 L160 | F15-G156 VanDerWaalsContact CD2-O 3.32Å; F15-G156 WeakPolarHBondContact CD2-O 3.49Å; N152-G156 WeakPolarHBondContact O-CA 3.5Å; N152-G156 PolarHBondContact O-N 3.35Å; G156-V158 VanDerWaalsContact C-N 3.35Å; G156-V158 PolarHBondContact O-N 3.42Å; G156-F159 PolarHBondContact O-N 2.86Å; G156-L160 WeakPolarHBondContact O-CB 3.38Å; G156-L160 PolarHBondContact O-N 3.11Å |
| 157 | S | 80.8 | Confident | 82.6 | Confident | 15 Ų | 15 | 40 Ų | 40 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -36.9 | 175.3 | 77 | 0 | 0 | 0 | 0 | 112.7 | V153 L154 L155 G161 | V153-S157 WeakPolarHBondContact O-CB 3.41Å; V153-S157 PolarHBondContact O-N 3.45Å; V153-S157 PolarHBondContact O-OG 3.32Å; L154-S157 PolarHBondContact O-N 2.94Å; L154-S157 PolarHBondContact O-OG 3.05Å; L155-S157 VanDerWaalsContact C-N 3.32Å; L155-S157 PolarHBondContact O-N 3.25Å; S157-G161 PolarHBondContact O-N 2.69Å |
| 158 | V | 79.8 | Confident | 82.1 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 33% | 0.327 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.9 | -42.4 | 175 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | L154 L155 G156 G161 N162 | L154-V158 PolarHBondContact O-N 3.45Å; L155-V158 PolarHBondContact O-N 3.21Å; L155-V158 VanDerWaalsContact O-N 3.12Å; G156-V158 VanDerWaalsContact C-N 3.35Å; G156-V158 PolarHBondContact O-N 3.42Å; V158-G161 PolarHBondContact O-N 3.1Å; V158-N162 VanDerWaalsContact O-CG 3.23Å; V158-N162 PolarHBondContact O-N 2.73Å; V158-N162 PolarHBondContact O-ND2 2.72Å |
| 159 | F | 86.1 | Confident | 81.7 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 27% | 0.268 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.9 | -48.6 | 175.5 | -64.4 | -38.2 | 0 | 0 | 0 | 111.5 | N11 F15 L155 G156 G161 N162 A163 | N11-F159 HydrophobicContact CB-CB 4.2Å; N11-F159 WeakPolarHBondContact CB-O 3.33Å; N11-F159 WeakPolarHBondContact O-CB 3.46Å; N11-F159 WeakPolarHBondContact OD1-CD1 3.1Å; F15-F159 HydrophobicContact CB-CB 4.35Å; L155-F159 HydrophobicContact CB-CD2 4.5Å; L155-F159 HydrophobicContact CB-CE2 4.02Å; L155-F159 HydrophobicContact CB-CZ 4.41Å; L155-F159 VanDerWaalsContact O-CD2 3.28Å; L155-F159 WeakPolarHBondContact O-CD2 3.47Å; L155-F159 VanDerWaalsContact O-CG 3.29Å; L155-F159 WeakPolarHBondContact O-CG 3.34Å; L155-F159 PolarHBondContact O-N 2.87Å; G156-F159 PolarHBondContact O-N 2.86Å; F159-G161 VanDerWaalsContact C-N 3.32Å; F159-G161 PolarHBondContact O-N 2.95Å; F159-N162 PolarHBondContact O-N 2.74Å; F159-N162 VanDerWaalsContact O-N 3.1Å; F159-A163 WeakPolarHBondContact O-CB 3.36Å; F159-A163 PolarHBondContact O-N 3.38Å |
| 160 | L | 81.9 | Confident | 81.2 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 176 | -175.8 | 64.6 | 0 | 0 | 0 | 111.7 | F15 G156 N162 A163 L164 | F15-L160 HydrophobicContact CD1-CD1 4.31Å; F15-L160 HydrophobicContact CD2-CB 4.05Å; F15-L160 HydrophobicContact CE1-CD1 4.18Å; F15-L160 HydrophobicContact CE1-CD2 4.45Å; F15-L160 HydrophobicContact CE2-CB 4.2Å; F15-L160 HydrophobicContact CE2-CD2 4.01Å; F15-L160 HydrophobicContact CG-CB 4.35Å; F15-L160 HydrophobicContact CZ-CD1 4.41Å; F15-L160 HydrophobicContact CZ-CD2 3.88Å; G156-L160 WeakPolarHBondContact O-CB 3.38Å; G156-L160 PolarHBondContact O-N 3.11Å; L160-N162 VanDerWaalsContact C-N 3.26Å; L160-N162 PolarHBondContact O-N 3.21Å; L160-A163 PolarHBondContact O-N 3.26Å; L160-L164 HydrophobicContact CD1-CD1 4.45Å; L160-L164 HydrophobicContact CD1-CG 4.34Å; L160-L164 HydrophobicContact CG-CD1 4.22Å; L160-L164 WeakPolarHBondContact O-CG 3.14Å; L160-L164 PolarHBondContact O-N 3.26Å; L160-L164 VanDerWaalsContact O-N 3.08Å |
| 161 | G | 77 | Confident | 81 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -27.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S157 V158 F159 P165 | S157-G161 PolarHBondContact O-N 2.69Å; V158-G161 PolarHBondContact O-N 3.1Å; F159-G161 VanDerWaalsContact C-N 3.32Å; F159-G161 PolarHBondContact O-N 2.95Å; G161-P165 WeakPolarHBondContact O-CD 3.18Å; G161-P165 WeakPolarHBondContact O-CG 3.19Å |
| 162 | N | 77.9 | Confident | 80.9 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -83.7 | -34.2 | 172.9 | -66.9 | -24 | 0 | 0 | 0 | 112.7 | N11 V158 F159 L160 P165 S166 | N11-N162 HydrophobicContact CB-CB 4.5Å; N11-N162 WeakPolarHBondContact OD1-CB 3.32Å; N11-N162 PolarHBondContact OD1-ND2 3.21Å; V158-N162 VanDerWaalsContact O-CG 3.23Å; V158-N162 PolarHBondContact O-N 2.73Å; V158-N162 PolarHBondContact O-ND2 2.72Å; F159-N162 PolarHBondContact O-N 2.74Å; F159-N162 VanDerWaalsContact O-N 3.1Å; L160-N162 VanDerWaalsContact C-N 3.26Å; L160-N162 PolarHBondContact O-N 3.21Å; N162-P165 WeakPolarHBondContact O-CD 3.31Å; N162-S166 PolarHBondContact O-OG 3.21Å |
| 163 | A | 81.6 | Confident | 80.8 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.5 | -38.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F8 N11 F159 L160 S166 F167 | F8-A163 HydrophobicContact CD2-CB 4.15Å; F8-A163 WeakPolarHBondContact CD2-O 3.37Å; F8-A163 HydrophobicContact CE2-CB 4.35Å; N11-A163 HydrophobicContact CB-CB 3.95Å; F159-A163 WeakPolarHBondContact O-CB 3.36Å; F159-A163 PolarHBondContact O-N 3.38Å; L160-A163 PolarHBondContact O-N 3.26Å; A163-S166 WeakPolarHBondContact O-CB 3.26Å; A163-S166 PolarHBondContact O-N 3.41Å; A163-S166 VanDerWaalsContact O-N 3.15Å; A163-F167 PolarHBondContact O-N 3.18Å |
| 164 | L | 78.5 | Confident | 80.9 | Confident | 95 Ų | 95 | 63 Ų | 63 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | -177.1 | -71.4 | 170.1 | 0 | 0 | 0 | 113.5 | L160 S166 F167 | L160-L164 HydrophobicContact CD1-CD1 4.45Å; L160-L164 HydrophobicContact CD1-CG 4.34Å; L160-L164 HydrophobicContact CG-CD1 4.22Å; L160-L164 WeakPolarHBondContact O-CG 3.14Å; L160-L164 PolarHBondContact O-N 3.26Å; L160-L164 VanDerWaalsContact O-N 3.08Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 2.97Å; L164-F167 WeakPolarHBondContact O-CB 3.33Å; L164-F167 PolarHBondContact O-N 2.9Å |
| 165 | P | 73.4 | Confident | 81.1 | Confident | 77 Ų | 77 | 63.9 Ų | 63.9 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.2 | -35.1 | 171.7 | -25 | 34.8 | 0 | 0 | 0 | 113.7 | G161 N162 F167 Q168 | G161-P165 WeakPolarHBondContact O-CD 3.18Å; G161-P165 WeakPolarHBondContact O-CG 3.19Å; N162-P165 WeakPolarHBondContact O-CD 3.31Å; P165-F167 PolarHBondContact O-N 2.93Å; P165-Q168 PolarHBondContact O-N 3.12Å |
| 166 | S | 75.6 | Confident | 81.3 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 11% | 0.112 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -29.1 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | N162 A163 L164 Q168 Y169 | N162-S166 PolarHBondContact O-OG 3.21Å; A163-S166 WeakPolarHBondContact O-CB 3.26Å; A163-S166 PolarHBondContact O-N 3.41Å; A163-S166 VanDerWaalsContact O-N 3.15Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 2.97Å; S166-Q168 VanDerWaalsContact C-N 3.32Å; S166-Q168 PolarHBondContact O-N 2.83Å; S166-Y169 PolarHBondContact O-N 3.05Å |
| 167 | F | 75.4 | Confident | 81.7 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 44% | 0.443 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 179.5 | -166.5 | -104 | 0 | 0 | 0 | 113.5 | F8 A163 L164 P165 Y169 F170 M171 | F8-F167 HydrophobicContact CE2-CD2 4.26Å; F8-F167 HydrophobicContact CZ-CD2 4.3Å; A163-F167 PolarHBondContact O-N 3.18Å; L164-F167 WeakPolarHBondContact O-CB 3.33Å; L164-F167 PolarHBondContact O-N 2.9Å; P165-F167 PolarHBondContact O-N 2.93Å; F167-Y169 PolarHBondContact O-N 3.25Å; F167-F170 HydrophobicContact CD2-CD2 4.27Å; F167-F170 PolarHBondContact O-N 2.87Å; F167-F170 VanDerWaalsContact O-N 3.1Å; F167-M171 HydrophobicContact CD1-CE 3.95Å; F167-M171 HydrophobicContact CD1-CG 4.21Å; F167-M171 HydrophobicContact CD1-SD 4.08Å; F167-M171 HydrophobicContact CE1-CE 4.21Å; F167-M171 HydrophobicContact CE1-CG 3.87Å; F167-M171 HydrophobicContact CE1-SD 3.72Å; F167-M171 PolarHBondContact O-N 3.49Å |
| 168 | Q | 79 | Confident | 82.1 | Confident | 95 Ų | 95 | 68.8 Ų | 68.8 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -30.4 | 179.1 | -173.8 | 64.9 | 59.7 | 0 | 0 | 112.6 | P165 S166 F170 M171 N172 | P165-Q168 PolarHBondContact O-N 3.12Å; S166-Q168 VanDerWaalsContact C-N 3.32Å; S166-Q168 PolarHBondContact O-N 2.83Å; Q168-F170 VanDerWaalsContact C-N 3.32Å; Q168-F170 PolarHBondContact O-N 3.42Å; Q168-M171 PolarHBondContact O-N 3.06Å; Q168-N172 PolarHBondContact NE2-OD1 3.17Å; Q168-N172 WeakPolarHBondContact O-CB 3.37Å; Q168-N172 PolarHBondContact O-N 2.85Å; Q168-N172 PolarHBondContact O-OD1 3.48Å |
| 169 | Y | 80 | Confident | 82.5 | Confident | 138 Ų | 138 | 72.6 Ų | 72.6 | 54% | 0.541 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.5 | -31.5 | 177.9 | -67.2 | -88.3 | 0 | 0 | 0 | 112.3 | T4 S166 F167 A173 | T4-Y169 HydrophobicContact CG2-CD2 4.4Å; T4-Y169 HydrophobicContact CG2-CG 4.31Å; S166-Y169 PolarHBondContact O-N 3.05Å; F167-Y169 PolarHBondContact O-N 3.25Å; Y169-A173 WeakPolarHBondContact O-CB 3.39Å; Y169-A173 PolarHBondContact O-N 3.03Å |
| 170 | F | 82 | Confident | 82.7 | Confident | 64 Ų | 64 | 74.1 Ų | 74.1 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 173.5 | -58.4 | -68.1 | 0 | 0 | 0 | 111.9 | L5 F8 F167 Q168 N172 A173 Q174 | L5-F170 HydrophobicContact CB-CE1 4.01Å; L5-F170 HydrophobicContact CB-CZ 4.02Å; L5-F170 HydrophobicContact CD1-CE1 3.8Å; L5-F170 HydrophobicContact CD1-CZ 3.56Å; L5-F170 HydrophobicContact CG-CE1 4.39Å; L5-F170 HydrophobicContact CG-CZ 4.37Å; F8-F170 HydrophobicContact CB-CE2 3.98Å; F8-F170 HydrophobicContact CB-CZ 4.14Å; F8-F170 AromaticContact CD1-CE2 3.86Å; F8-F170 HydrophobicContact CD1-CE2 3.86Å; F8-F170 HydrophobicContact CD1-CZ 4.18Å; F8-F170 HydrophobicContact CD2-CE2 4.23Å; F8-F170 HydrophobicContact CE1-CE2 4.41Å; F8-F170 AromaticContact CG-CE2 3.76Å; F8-F170 HydrophobicContact CG-CE2 3.76Å; F8-F170 HydrophobicContact CG-CZ 4.25Å; F167-F170 HydrophobicContact CD2-CD2 4.27Å; F167-F170 PolarHBondContact O-N 2.87Å; F167-F170 VanDerWaalsContact O-N 3.1Å; Q168-F170 VanDerWaalsContact C-N 3.32Å; Q168-F170 PolarHBondContact O-N 3.42Å; F170-N172 VanDerWaalsContact C-N 3.3Å; F170-N172 PolarHBondContact O-N 2.91Å; F170-A173 PolarHBondContact O-N 3.15Å; F170-Q174 VanDerWaalsContact O-CB 3.31Å; F170-Q174 WeakPolarHBondContact O-CB 3.44Å; F170-Q174 PolarHBondContact O-N 2.91Å |
| 171 | M | 81.3 | Confident | 83.2 | Confident | 79 Ų | 79 | 78.4 Ų | 78.4 | 39% | 0.389 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 177.1 | -64.9 | -168.7 | -66.4 | 0 | 0 | 111.5 | F167 Q168 A175 | F167-M171 HydrophobicContact CD1-CE 3.95Å; F167-M171 HydrophobicContact CD1-CG 4.21Å; F167-M171 HydrophobicContact CD1-SD 4.08Å; F167-M171 HydrophobicContact CE1-CE 4.21Å; F167-M171 HydrophobicContact CE1-CG 3.87Å; F167-M171 HydrophobicContact CE1-SD 3.72Å; F167-M171 PolarHBondContact O-N 3.49Å; Q168-M171 PolarHBondContact O-N 3.06Å; M171-A175 WeakPolarHBondContact O-CB 3.42Å; M171-A175 PolarHBondContact O-N 3.42Å |
| 172 | N | 84.1 | Confident | 83.9 | Confident | 85 Ų | 85 | 81.2 Ų | 81.2 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65 | -46.6 | 174 | -68.8 | 3.2 | 0 | 0 | 0 | 111.6 | Q168 F170 Q174 A175 S176 | Q168-N172 PolarHBondContact NE2-OD1 3.17Å; Q168-N172 WeakPolarHBondContact O-CB 3.37Å; Q168-N172 PolarHBondContact O-N 2.85Å; Q168-N172 PolarHBondContact O-OD1 3.48Å; F170-N172 VanDerWaalsContact C-N 3.3Å; F170-N172 PolarHBondContact O-N 2.91Å; N172-Q174 VanDerWaalsContact C-N 3.32Å; N172-Q174 PolarHBondContact O-N 3.47Å; N172-A175 PolarHBondContact O-N 3.32Å; N172-S176 PolarHBondContact O-N 2.89Å; N172-S176 PolarHBondContact O-OG 2.94Å |
| 173 | A | 85.9 | Confident | 84.6 | Confident | 60 Ų | 60 | 84.2 Ų | 84.2 | 50% | 0.496 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y169 F170 A177 | Y169-A173 WeakPolarHBondContact O-CB 3.39Å; Y169-A173 PolarHBondContact O-N 3.03Å; F170-A173 PolarHBondContact O-N 3.15Å; A173-A177 WeakPolarHBondContact O-CB 3.21Å; A173-A177 PolarHBondContact O-N 2.91Å |
| 174 | Q | 88.2 | Confident | 85 | Confident | 138 Ų | 138 | 89.7 Ų | 89.7 | 65% | 0.645 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.9 | -46.3 | 174.8 | -174.6 | 179.4 | 8.6 | 0 | 0 | 111.2 | F170 N172 A177 T178 | F170-Q174 VanDerWaalsContact O-CB 3.31Å; F170-Q174 WeakPolarHBondContact O-CB 3.44Å; F170-Q174 PolarHBondContact O-N 2.91Å; N172-Q174 VanDerWaalsContact C-N 3.32Å; N172-Q174 PolarHBondContact O-N 3.47Å; Q174-A177 WeakPolarHBondContact O-CB 3.25Å; Q174-A177 PolarHBondContact O-N 3.39Å; Q174-T178 PolarHBondContact O-N 3.29Å; Q174-T178 PolarHBondContact O-OG1 3.41Å; Q174-T178 VanDerWaalsContact O-OG1 3.13Å |
| 175 | A | 86.6 | Confident | 85.6 | Confident | 65 Ų | 65 | 91.9 Ų | 91.9 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M171 N172 A177 T178 | M171-A175 WeakPolarHBondContact O-CB 3.42Å; M171-A175 PolarHBondContact O-N 3.42Å; N172-A175 PolarHBondContact O-N 3.32Å; A175-A177 VanDerWaalsContact C-N 3.33Å; A175-T178 PolarHBondContact O-N 3.38Å |
| 176 | S | 88.6 | Confident | 86.5 | Confident | 66 Ų | 66 | 96.5 Ų | 96.5 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.1 | -31.3 | 174 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | N172 I180 | N172-S176 PolarHBondContact O-N 2.89Å; N172-S176 PolarHBondContact O-OG 2.94Å; S176-I180 WeakPolarHBondContact O-CD1 3.48Å; S176-I180 VanDerWaalsContact O-CG1 3.3Å; S176-I180 WeakPolarHBondContact O-CG1 3.44Å; S176-I180 PolarHBondContact O-N 3.11Å; S176-I180 VanDerWaalsContact O-N 3.13Å |
| 177 | A | 91.4 | Very high | 87.1 | Confident | 33 Ų | 33 | 101.8 Ų | 101.8 | 27% | 0.273 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A173 Q174 A175 E179 I180 Y181 | A173-A177 WeakPolarHBondContact O-CB 3.21Å; A173-A177 PolarHBondContact O-N 2.91Å; Q174-A177 WeakPolarHBondContact O-CB 3.25Å; Q174-A177 PolarHBondContact O-N 3.39Å; A175-A177 VanDerWaalsContact C-N 3.33Å; A177-E179 VanDerWaalsContact C-N 3.3Å; A177-E179 PolarHBondContact O-N 2.87Å; A177-I180 PolarHBondContact O-N 2.83Å; A177-Y181 HydrophobicContact CB-CD2 4.03Å; A177-Y181 HydrophobicContact CB-CE2 4.29Å; A177-Y181 WeakPolarHBondContact O-CB 3.37Å; A177-Y181 WeakPolarHBondContact O-CD2 3.5Å; A177-Y181 PolarHBondContact O-N 2.8Å |
| 178 | T | 90.4 | Very high | 87.8 | Confident | 96 Ų | 96 | 100.3 Ų | 100.3 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -55.8 | -44.9 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | Q174 A175 S182 | Q174-T178 PolarHBondContact O-N 3.29Å; Q174-T178 PolarHBondContact O-OG1 3.41Å; Q174-T178 VanDerWaalsContact O-OG1 3.13Å; A175-T178 PolarHBondContact O-N 3.38Å; T178-S182 VanDerWaalsContact O-CB 3.29Å; T178-S182 WeakPolarHBondContact O-CB 3.28Å; T178-S182 PolarHBondContact O-N 3.34Å; T178-S182 PolarHBondContact O-OG 2.9Å |
| 179 | E | 87.9 | Confident | 88.1 | Confident | 134 Ų | 134 | 104.6 Ų | 104.6 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.5 | -51.4 | 175.2 | -171.3 | 174 | -169.1 | 0 | 0 | 111.9 | A177 S182 I183 | A177-E179 VanDerWaalsContact C-N 3.3Å; A177-E179 PolarHBondContact O-N 2.87Å; E179-S182 PolarHBondContact O-N 3.23Å; E179-S182 PolarHBondContact O-OG 3.07Å; E179-I183 PolarHBondContact O-N 3.41Å |
| 180 | I | 90.3 | Very high | 88.5 | Confident | 94 Ų | 94 | 99.6 Ų | 99.6 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | -178.7 | -67.5 | 166.5 | 0 | 0 | 0 | 112.1 | S176 A177 S182 I183 I184 | S176-I180 WeakPolarHBondContact O-CD1 3.48Å; S176-I180 VanDerWaalsContact O-CG1 3.3Å; S176-I180 WeakPolarHBondContact O-CG1 3.44Å; S176-I180 PolarHBondContact O-N 3.11Å; S176-I180 VanDerWaalsContact O-N 3.13Å; A177-I180 PolarHBondContact O-N 2.83Å; I180-S182 PolarHBondContact O-N 3.32Å; I180-I183 WeakPolarHBondContact O-CB 3.44Å; I180-I183 PolarHBondContact O-N 2.98Å; I180-I183 VanDerWaalsContact O-N 3.1Å; I180-I184 HydrophobicContact CG2-CD1 3.68Å; I180-I184 HydrophobicContact CG2-CG1 4.41Å; I180-I184 WeakPolarHBondContact O-CG1 3.2Å; I180-I184 PolarHBondContact O-N 3.23Å; I180-I184 VanDerWaalsContact O-N 3.08Å |
| 181 | Y | 92.4 | Very high | 88.5 | Confident | 129 Ų | 129 | 99.9 Ų | 99.9 | 51% | 0.506 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 179 | -84.2 | -96 | 0 | 0 | 0 | 111.4 | A177 I183 I184 E185 | A177-Y181 HydrophobicContact CB-CD2 4.03Å; A177-Y181 HydrophobicContact CB-CE2 4.29Å; A177-Y181 WeakPolarHBondContact O-CB 3.37Å; A177-Y181 WeakPolarHBondContact O-CD2 3.5Å; A177-Y181 PolarHBondContact O-N 2.8Å; Y181-I183 PolarHBondContact O-N 2.97Å; Y181-I183 VanDerWaalsContact O-N 3.08Å; Y181-I184 PolarHBondContact O-N 3.12Å; Y181-E185 HydrophobicContact CD1-CG 4.28Å; Y181-E185 WeakPolarHBondContact CD1-OE1 3.19Å; Y181-E185 WeakPolarHBondContact O-CB 3.33Å; Y181-E185 WeakPolarHBondContact O-CG 3.34Å; Y181-E185 PolarHBondContact O-N 3.09Å |
| 182 | S | 92.4 | Very high | 88.5 | Confident | 74 Ų | 74 | 99.4 Ų | 99.4 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -14.6 | 172.4 | 76.4 | 0 | 0 | 0 | 0 | 114.6 | T178 E179 I180 R186 | T178-S182 VanDerWaalsContact O-CB 3.29Å; T178-S182 WeakPolarHBondContact O-CB 3.28Å; T178-S182 PolarHBondContact O-N 3.34Å; T178-S182 PolarHBondContact O-OG 2.9Å; E179-S182 PolarHBondContact O-N 3.23Å; E179-S182 PolarHBondContact O-OG 3.07Å; I180-S182 PolarHBondContact O-N 3.32Å; S182-R186 WeakPolarHBondContact O-CB 3.27Å |
| 183 | I | 91 | Very high | 88.2 | Confident | 125 Ų | 125 | 100.3 Ų | 100.3 | 64% | 0.641 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -92.7 | -38.7 | 171.3 | -62 | 168.3 | 0 | 0 | 0 | 110.8 | E179 I180 Y181 | E179-I183 PolarHBondContact O-N 3.41Å; I180-I183 WeakPolarHBondContact O-CB 3.44Å; I180-I183 PolarHBondContact O-N 2.98Å; I180-I183 VanDerWaalsContact O-N 3.1Å; Y181-I183 PolarHBondContact O-N 2.97Å; Y181-I183 VanDerWaalsContact O-N 3.08Å |
| 184 | I | 90.7 | Very high | 87.9 | Confident | 119 Ų | 119 | 101.3 Ų | 101.3 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72.4 | -42.7 | -179.1 | -66.3 | 171.4 | 0 | 0 | 0 | 112.3 | I180 Y181 R186 | I180-I184 HydrophobicContact CG2-CD1 3.68Å; I180-I184 HydrophobicContact CG2-CG1 4.41Å; I180-I184 WeakPolarHBondContact O-CG1 3.2Å; I180-I184 PolarHBondContact O-N 3.23Å; I180-I184 VanDerWaalsContact O-N 3.08Å; Y181-I184 PolarHBondContact O-N 3.12Å; I184-R186 VanDerWaalsContact C-N 3.32Å |
| 185 | E | 91.8 | Very high | 87.4 | Confident | 141 Ų | 141 | 102.9 Ų | 102.9 | 66% | 0.659 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -83.8 | -8.4 | -176.6 | -61.8 | 178.8 | 162.6 | 0 | 0 | 112.6 | Y181 T187 | Y181-E185 HydrophobicContact CD1-CG 4.28Å; Y181-E185 WeakPolarHBondContact CD1-OE1 3.19Å; Y181-E185 WeakPolarHBondContact O-CB 3.33Å; Y181-E185 WeakPolarHBondContact O-CG 3.34Å; Y181-E185 PolarHBondContact O-N 3.09Å; E185-T187 PolarHBondContact O-N 3.41Å |
| 186 | R | 92.1 | Very high | 87.2 | Confident | 175 Ų | 175 | 101.1 Ų | 101.1 | 66% | 0.66 | 53% | 0.531 | S | S | * | . | trans | -72.3 | 108.9 | 177.7 | 178.5 | -178.1 | 178.2 | -157.1 | -0.5 | 110.7 | S182 I184 | S182-R186 WeakPolarHBondContact O-CB 3.27Å; I184-R186 VanDerWaalsContact C-N 3.32Å | ||
| 187 | T | 88.4 | Confident | 87 | Confident | 127 Ų | 127 | 105.5 Ų | 105.5 | 78% | 0.779 | 54% | 0.537 | S | S | * | . | trans | -64.2 | 127.5 | 161 | 45.2 | 0 | 0 | 0 | 0 | 110.2 | E185 | E185-T187 PolarHBondContact O-N 3.41Š| ||
| 188 | P | 88.8 | Confident | 86.7 | Confident | 69 Ų | 69 | 109.4 Ų | 109.4 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | trans | -78.8 | 145.4 | 174 | 32.1 | -34.6 | 0 | 0 | 0 | 111 | I190 D191 | P188-I190 VanDerWaalsContact C-N 3.25Å; P188-I190 PolarHBondContact O-N 3Å; P188-D191 HydrophobicContact CG-CB 4.36Å | ||
| 189 | E | 85.9 | Confident | 86.3 | Confident | 186 Ų | 186 | 106.7 Ų | 106.7 | 87% | 0.869 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -63.2 | -33.2 | 174.2 | -66.4 | 167.9 | -162 | 0 | 0 | 112.3 | ||
| 190 | I | 87.9 | Confident | 85.7 | Confident | 32 Ų | 32 | 106 Ų | 106 | 16% | 0.164 | 54% | 0.541 | C | S | . | . | S | Bend | trans | -107.4 | 85.3 | 171.8 | -54.4 | 175.1 | 0 | 0 | 0 | 107.3 | P188 K192 R256 L277 | P188-I190 VanDerWaalsContact C-N 3.25Å; P188-I190 PolarHBondContact O-N 3Å; I190-K192 PolarHBondContact O-N 3.28Å; I190-R256 HydrophobicContact CD1-CG 4.42Å; I190-R256 HydrophobicContact CG2-CG 4.48Å; I190-L277 HydrophobicContact CG2-CD2 3.63Å |
| 191 | D | 82.9 | Confident | 85.1 | Confident | 71 Ų | 71 | 108.2 Ų | 108.2 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | trans | -69.6 | 127.1 | 171.7 | -175 | 8.7 | 0 | 0 | 0 | 110.6 | P188 N193 C194 | P188-D191 HydrophobicContact CG-CB 4.36Å; D191-N193 PolarHBondContact OD1-N 3.26Å; D191-C194 HydrophobicContact CB-CB 4.06Å; D191-C194 PolarHBondContact OD2-N 2.98Å | ||
| 192 | K | 80.6 | Confident | 84.6 | Confident | 69 Ų | 69 | 102.7 Ų | 102.7 | 30% | 0.3 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -85.7 | -11.2 | 179.2 | -57.3 | 179.6 | -177.9 | -178.8 | 0 | 112.8 | I190 L277 K278 T731 E736 | I190-K192 PolarHBondContact O-N 3.28Å; K192-L277 HydrophobicContact CG-CD2 4.3Å; K192-K278 VanDerWaalsContact O-CE 3.25Å; K192-K278 WeakPolarHBondContact O-CE 3.48Å; K192-T731 VanDerWaalsContact NZ-CG2 3.34Å; K192-T731 PolarHBondContact NZ-OG1 3.06Å; K192-T731 VanDerWaalsContact NZ-OG1 3.16Å; K192-E736 WeakPolarHBondContact CD-OE1 3.41Å; K192-E736 WeakPolarHBondContact CE-OE1 3.25Å; K192-E736 IonicContact NZ-OE1 2.65Å; K192-E736 PolarHBondContact NZ-OE1 3.27Å |
| 193 | N | 77.8 | Confident | 84.2 | Confident | 103 Ų | 103 | 100.8 Ų | 100.8 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -109.8 | -8.5 | -176.9 | -63.1 | -40.6 | 0 | 0 | 0 | 113.4 | D191 H195 K278 | D191-N193 PolarHBondContact OD1-N 3.26Å; N193-H195 PolarHBondContact O-N 3.47Å; N193-K278 WeakPolarHBondContact OD1-CE 3.38Å; N193-K278 PolarHBondContact OD1-NZ 2.86Å |
| 194 | C | 79.1 | Confident | 83.8 | Confident | 82 Ų | 82 | 94.8 Ų | 94.8 | 55% | 0.554 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -67.9 | 123.1 | 171.6 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | D191 G196 | D191-C194 HydrophobicContact CB-CB 4.06Å; D191-C194 PolarHBondContact OD2-N 2.98Å; C194-G196 PolarHBondContact O-N 2.77Å |
| 195 | H | 78.1 | Confident | 83.8 | Confident | 171 Ų | 171 | 91.9 Ų | 91.9 | 79% | 0.792 | 48% | 0.475 | S | S | * | . | trans | -71.3 | 109.8 | 179.6 | -68.5 | -51.1 | 0 | 0 | 0 | 111.1 | N193 D276 | N193-H195 PolarHBondContact O-N 3.47Å; H195-D276 IonicContact ND1-OD1 3.74Å | ||
| 196 | G | 82.6 | Confident | 83.9 | Confident | 28 Ų | 28 | 85.1 Ų | 85.1 | 29% | 0.289 | 44% | 0.443 | S | S | . | . | trans | -87.4 | -175.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C194 N274 | C194-G196 PolarHBondContact O-N 2.77Å; G196-N274 CarbonylContact C-O 3.51Å; G196-N274 VanDerWaalsContact CA-O 3.24Å; G196-N274 WeakPolarHBondContact CA-O 3.32Å | ||
| 197 | R | 85.1 | Confident | 84 | Confident | 157 Ų | 157 | 78.5 Ų | 78.5 | 59% | 0.592 | 42% | 0.422 | S | S | * | . | B | Isolated β-bridge | trans | -72.8 | 133.1 | 171.5 | -175 | 159.5 | 166.1 | -140 | 0.4 | 110.1 | E270 N274 V275 D276 | R197-E270 WeakPolarHBondContact CD-OE1 3.45Å; R197-E270 WeakPolarHBondContact CD-OE2 3.44Å; R197-E270 IonicContact CZ-OE1 3.43Å; R197-E270 IonicContact CZ-OE2 2.69Å; R197-E270 VanDerWaalsContact CZ-OE2 3.32Å; R197-E270 IonicContact NE-OE2 2.96Å; R197-E270 PolarHBondContact NE-OE2 2.96Å; R197-E270 IonicContact NH1-OE1 2.64Å; R197-E270 PolarHBondContact NH1-OE1 3.02Å; R197-E270 IonicContact NH1-OE2 3.21Å; R197-E270 PolarHBondContact NH1-OE2 3.49Å; R197-N274 PolarHBondContact N-O 2.9Å; R197-V275 WeakPolarHBondContact O-CA 3.29Å; R197-D276 PolarHBondContact O-N 2.8Å |
| 198 | L | 85 | Confident | 84.3 | Confident | 115 Ų | 115 | 72.6 Ų | 72.6 | 60% | 0.602 | 39% | 0.386 | S | S | * | . | trans | -83.3 | 129.2 | 173.4 | -64.9 | 170.2 | 0 | 0 | 0 | 109.4 | P200 D276 A279 | L198-P200 WeakPolarHBondContact O-CD 3.38Å; L198-D276 HydrophobicContact CD2-CB 3.88Å; L198-A279 HydrophobicContact CD2-CB 3.49Å; L198-A279 VanDerWaalsContact CD2-CB 3.49Å | ||
| 199 | I | 82.2 | Confident | 84.5 | Confident | 39 Ų | 39 | 71.2 Ų | 71.2 | 20% | 0.2 | 38% | 0.378 | C | S | . | . | trans | -94.5 | 104.1 | 171.6 | -60.3 | 174.3 | 0 | 0 | 0 | 107.3 | F202 I267 E268 V275 | I199-F202 HydrophobicContact CG2-CB 4.18Å; I199-I267 HydrophobicContact CD1-CB 4.37Å; I199-I267 HydrophobicContact CD1-CG2 3.95Å; I199-E268 HydrophobicContact CG2-CB 4.42Å; I199-E268 HydrophobicContact CG2-CG 4.1Å; I199-V275 HydrophobicContact CD1-CG1 3.87Å; I199-V275 HydrophobicContact CD1-CG2 3.83Å; I199-V275 HydrophobicContact CG1-CG1 4.2Å | ||
| 200 | P | 73.6 | Confident | 84.8 | Confident | 119 Ų | 119 | 66.7 Ų | 66.7 | 77% | 0.773 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -34.4 | -171.6 | 27.3 | -34.7 | 0 | 0 | 0 | 113.2 | L198 | L198-P200 WeakPolarHBondContact O-CD 3.38Š|
| 201 | N | 77.7 | Confident | 85.1 | Confident | 142 Ų | 142 | 65.1 Ų | 65.1 | 76% | 0.759 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 58.9 | -176.2 | -70.8 | -11.5 | 0 | 0 | 0 | 110.9 | S203 | N201-S203 PolarHBondContact O-N 3.32Å; N201-S203 VanDerWaalsContact O-N 3.16Å |
| 202 | F | 82.9 | Confident | 85.6 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 5% | 0.053 | 34% | 0.338 | C | S | . | . | trans | -62.6 | 117.6 | 175.1 | 179.8 | -120.8 | 0 | 0 | 0 | 110.5 | I199 I267 E268 Y280 Q283 K364 L365 | I199-F202 HydrophobicContact CG2-CB 4.18Å; F202-I267 HydrophobicContact CD2-CG2 3.99Å; F202-I267 HydrophobicContact CE2-CG2 3.56Å; F202-E268 HydrophobicContact CD2-CG 3.84Å; F202-E268 HydrophobicContact CE2-CG 4.42Å; F202-Y280 HydrophobicContact CZ-CE2 4.46Å; F202-Q283 HydrophobicContact CB-CG 4.45Å; F202-Q283 HydrophobicContact CD1-CB 3.52Å; F202-Q283 HydrophobicContact CD1-CG 3.86Å; F202-Q283 HydrophobicContact CE1-CB 3.79Å; F202-Q283 HydrophobicContact CG-CG 4.49Å; F202-K364 HydrophobicContact CD1-CB 3.53Å; F202-K364 HydrophobicContact CD1-CG 3.98Å; F202-K364 HydrophobicContact CE1-CB 3.6Å; F202-K364 WeakPolarHBondContact O-CD 3.29Å; F202-K364 WeakPolarHBondContact O-CE 3.45Å; F202-L365 HydrophobicContact CE1-CB 4Å; F202-L365 HydrophobicContact CZ-CB 4.05Å; F202-L365 HydrophobicContact CZ-CD2 4.4Å | ||
| 203 | S | 83.3 | Confident | 86.2 | Confident | 34 Ų | 34 | 59.5 Ų | 59.5 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | trans | -100.2 | -23.2 | -177.3 | 81 | 0 | 0 | 0 | 0 | 112 | N201 N205 S233 E268 | N201-S203 PolarHBondContact O-N 3.32Å; N201-S203 VanDerWaalsContact O-N 3.16Å; S203-N205 PolarHBondContact OG-ND2 3.21Å; S203-S233 WeakPolarHBondContact O-CB 3.34Å; S203-S233 PolarHBondContact O-OG 3.28Å; S203-E268 WeakPolarHBondContact CA-OE1 3.43Å; S203-E268 WeakPolarHBondContact CB-OE1 3.46Å; S203-E268 PolarHBondContact N-OE1 3.19Å; S203-E268 PolarHBondContact OG-OE1 3.44Å; S203-E268 PolarHBondContact OG-OE2 3.24Å | ||
| 204 | G | 83.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | 105 | 20.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E268 T395 | G204-E268 PolarHBondContact N-OE1 2.9Å; G204-T395 WeakPolarHBondContact O-CG2 3.29Å; G204-T395 PolarHBondContact O-OG1 2.9Å; G204-T395 VanDerWaalsContact O-OG1 3.11Å | ||
| 205 | N | 91 | Very high | 87.5 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | trans | -80.5 | 130.9 | 172.1 | -59.5 | -51.4 | 0 | 0 | 0 | 111 | S203 I231 S233 E268 | S203-N205 PolarHBondContact OG-ND2 3.21Å; N205-I231 WeakPolarHBondContact CA-O 3.42Å; N205-S233 PolarHBondContact OD1-N 2.8Å; N205-E268 WeakPolarHBondContact CB-OE2 3.24Å; N205-E268 PolarHBondContact N-OE1 2.94Å; N205-E268 PolarHBondContact ND2-OE2 3.29Å; N205-E268 PolarHBondContact O-N 3.28Å; N205-E268 VanDerWaalsContact O-N 3.12Å | ||
| 206 | V | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 131.7 | 178 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | F208 I231 L254 V265 L266 I267 L365 | V206-F208 HydrophobicContact CG1-CD2 4.31Å; V206-F208 HydrophobicContact CG1-CE2 3.93Å; V206-I231 HydrophobicContact CB-CB 4.32Å; V206-I231 HydrophobicContact CB-CD1 4.36Å; V206-I231 PolarHBondContact N-O 3.26Å; V206-I231 PolarHBondContact O-N 2.72Å; V206-L254 HydrophobicContact CB-CD2 4.49Å; V206-L254 HydrophobicContact CG1-CD2 3.69Å; V206-L254 HydrophobicContact CG2-CD2 4.41Å; V206-V265 HydrophobicContact CG1-CG1 4.2Å; V206-L266 CarbonylContact C-O 3.54Å; V206-L266 WeakPolarHBondContact CA-O 3.28Å; V206-I267 HydrophobicContact CB-CD1 4.28Å; V206-I267 HydrophobicContact CG1-CD1 3.81Å; V206-I267 HydrophobicContact CG2-CD1 3.73Å; V206-L365 HydrophobicContact CG2-CD2 4.38Å |
| 207 | T | 94.2 | Very high | 88.4 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.6 | 178 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | L229 S230 L266 | T207-L229 CarbonylContact C-O 3.57Å; T207-L229 WeakPolarHBondContact CA-O 3.37Å; T207-S230 PolarHBondContact OG1-OG 3.16Å; T207-L266 PolarHBondContact N-O 3.38Å; T207-L266 PolarHBondContact O-N 3.24Å |
| 208 | F | 94.5 | Very high | 88.6 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.3 | 168.8 | -68.7 | -104.1 | 0 | 0 | 0 | 109.3 | V206 V211 F227 N228 L229 I231 V250 M253 L254 V265 | V206-F208 HydrophobicContact CG1-CD2 4.31Å; V206-F208 HydrophobicContact CG1-CE2 3.93Å; F208-V211 HydrophobicContact CB-CG2 4.32Å; F208-V211 HydrophobicContact CD1-CB 4.37Å; F208-V211 HydrophobicContact CD1-CG2 4.03Å; F208-F227 HydrophobicContact CB-CD1 3.87Å; F208-F227 HydrophobicContact CB-CE1 4.02Å; F208-F227 AromaticContact CD1-CD1 3.78Å; F208-F227 HydrophobicContact CD1-CD1 3.78Å; F208-F227 AromaticContact CD1-CE1 3.81Å; F208-F227 HydrophobicContact CD1-CE1 3.81Å; F208-F227 HydrophobicContact CD2-CE1 4.11Å; F208-F227 HydrophobicContact CE1-CE1 4.33Å; F208-F227 AromaticContact CG-CD1 3.89Å; F208-F227 HydrophobicContact CG-CD1 3.89Å; F208-F227 AromaticContact CG-CE1 3.72Å; F208-F227 HydrophobicContact CG-CE1 3.72Å; F208-N228 WeakPolarHBondContact O-CA 3.27Å; F208-L229 HydrophobicContact CB-CB 4.38Å; F208-L229 HydrophobicContact CD2-CB 4.23Å; F208-L229 PolarHBondContact N-O 3.45Å; F208-L229 PolarHBondContact O-N 2.95Å; F208-I231 HydrophobicContact CE2-CD1 4.49Å; F208-V250 HydrophobicContact CE1-CG1 4.09Å; F208-V250 HydrophobicContact CE2-CG1 4Å; F208-V250 HydrophobicContact CZ-CG1 3.55Å; F208-M253 HydrophobicContact CE1-CB 3.99Å; F208-M253 HydrophobicContact CZ-CB 4.47Å; F208-L254 HydrophobicContact CE2-CD2 3.86Å; F208-L254 HydrophobicContact CE2-CG 4.41Å; F208-L254 HydrophobicContact CZ-CD2 3.76Å; F208-L254 HydrophobicContact CZ-CG 3.97Å; F208-V265 HydrophobicContact CD1-CG1 4.48Å; F208-V265 HydrophobicContact CD1-CG2 3.72Å; F208-V265 HydrophobicContact CE1-CG1 4.21Å; F208-V265 HydrophobicContact CE1-CG2 3.71Å; F208-V265 HydrophobicContact CZ-CG1 4.22Å |
| 209 | S | 93.3 | Very high | 88.8 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 108.2 | -179.3 | -57 | 0 | 0 | 0 | 0 | 111.2 | V211 N228 G263 K264 | S209-V211 PolarHBondContact O-N 2.66Å; S209-N228 WeakPolarHBondContact CA-OD1 3.39Å; S209-G263 CarbonylContact O-C 3.52Å; S209-G263 WeakPolarHBondContact O-CA 3.36Å; S209-K264 PolarHBondContact N-O 3.47Å; S209-K264 PolarHBondContact O-N 2.92Å |
| 210 | N | 92.7 | Very high | 89.1 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.2 | 38.8 | 178.8 | -66.9 | -48.5 | 0 | 0 | 0 | 114.5 | S212 F227 N228 G263 | N210-S212 PolarHBondContact O-N 3.18Å; N210-F227 PolarHBondContact N-O 2.89Å; N210-N228 PolarHBondContact N-OD1 3.04Å; N210-N228 PolarHBondContact OD1-ND2 3.11Å; N210-G263 WeakPolarHBondContact O-CA 3.44Å |
| 211 | V | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 124.1 | -173.8 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | F208 S209 L224 N226 F227 P260 K262 K264 V265 | F208-V211 HydrophobicContact CB-CG2 4.32Å; F208-V211 HydrophobicContact CD1-CB 4.37Å; F208-V211 HydrophobicContact CD1-CG2 4.03Å; S209-V211 PolarHBondContact O-N 2.66Å; V211-L224 HydrophobicContact CG1-CD1 4.37Å; V211-N226 PolarHBondContact O-N 3.2Å; V211-F227 HydrophobicContact CB-CB 4.31Å; V211-F227 PolarHBondContact N-O 2.99Å; V211-F227 WeakPolarHBondContact O-CB 3.45Å; V211-F227 PolarHBondContact O-N 3.38Å; V211-P260 HydrophobicContact CG1-CB 3.91Å; V211-P260 HydrophobicContact CG2-CB 4.38Å; V211-K262 CarbonylContact C-O 3.49Å; V211-K262 WeakPolarHBondContact CA-O 3.31Å; V211-K264 WeakPolarHBondContact CG2-O 3.4Å; V211-V265 HydrophobicContact CG2-CG2 4.04Å |
| 212 | S | 93.3 | Very high | 90.5 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 11% | 0.105 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.3 | 169.2 | -54 | 0 | 0 | 0 | 0 | 110.8 | N210 L224 N226 T261 K262 | N210-S212 PolarHBondContact O-N 3.18Å; S212-L224 CarbonylContact C-O 2.98Å; S212-L224 WeakPolarHBondContact CA-O 3.4Å; S212-N226 PolarHBondContact OG-N 2.67Å; S212-N226 PolarHBondContact OG-OD1 3.16Å; S212-T261 WeakPolarHBondContact O-CA 3.39Å; S212-T261 WeakPolarHBondContact O-CB 3.48Å; S212-T261 PolarHBondContact O-N 3.34Å; S212-K262 PolarHBondContact N-O 3.02Å; S212-K262 PolarHBondContact O-N 2.9Å; S212-K262 VanDerWaalsContact O-N 3.07Å |
| 213 | F | 94.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 143 | -174.7 | 176.2 | -104.8 | 0 | 0 | 0 | 113.1 | Y215 V222 I223 L224 T249 M253 Y258 | F213-Y215 AromaticContact CE1-CD1 3.71Å; F213-Y215 HydrophobicContact CE1-CD1 3.71Å; F213-Y215 AromaticContact CE1-CD2 3.97Å; F213-Y215 HydrophobicContact CE1-CD2 3.97Å; F213-Y215 AromaticContact CE1-CE1 3.83Å; F213-Y215 HydrophobicContact CE1-CE1 3.83Å; F213-Y215 HydrophobicContact CE1-CE2 4.05Å; F213-Y215 AromaticContact CE1-CG 3.77Å; F213-Y215 HydrophobicContact CE1-CG 3.77Å; F213-Y215 AromaticContact CE1-CZ 3.98Å; F213-Y215 AromaticContact CZ-CD1 3.84Å; F213-Y215 HydrophobicContact CZ-CD1 3.84Å; F213-Y215 HydrophobicContact CZ-CE1 4.17Å; F213-Y215 HydrophobicContact CZ-CG 4.18Å; F213-V222 CarbonylContact O-C 3.57Å; F213-I223 PolarHBondContact O-N 3.23Å; F213-L224 HydrophobicContact CB-CB 4.4Å; F213-L224 PolarHBondContact N-O 2.68Å; F213-L224 PolarHBondContact O-N 3.02Å; F213-T249 HydrophobicContact CD1-CG2 3.55Å; F213-T249 HydrophobicContact CE1-CG2 3.73Å; F213-M253 HydrophobicContact CB-CE 3.91Å; F213-M253 HydrophobicContact CD1-CE 3.74Å; F213-M253 HydrophobicContact CD2-CE 3.24Å; F213-M253 HydrophobicContact CE1-CE 3.99Å; F213-M253 HydrophobicContact CE2-CE 3.53Å; F213-M253 HydrophobicContact CG-CE 3.33Å; F213-M253 HydrophobicContact CZ-CE 3.88Å; F213-Y258 HydrophobicContact CE2-CD1 4.47Å; F213-Y258 HydrophobicContact CE2-CG 4.15Å; F213-Y258 HydrophobicContact CZ-CD1 4.06Å; F213-Y258 HydrophobicContact CZ-CD2 4.2Å; F213-Y258 AromaticContact CZ-CG 3.73Å; F213-Y258 HydrophobicContact CZ-CG 3.73Å |
| 214 | A | 92.4 | Very high | 91.4 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P219 T221 | A214-P219 WeakPolarHBondContact CB-O 3.1Å; A214-T221 WeakPolarHBondContact CB-O 3.21Å |
| 215 | Y | 92 | Very high | 91.8 | Very high | 49 Ų | 49 | 56 Ų | 56 | 19% | 0.192 | 31% | 0.309 | C | S | . | . | trans | -67.5 | 139.6 | 176.4 | -79.3 | -78 | 0 | 0 | 0 | 110.6 | F213 S217 R218 I223 T249 H252 Y258 | F213-Y215 AromaticContact CE1-CD1 3.71Å; F213-Y215 HydrophobicContact CE1-CD1 3.71Å; F213-Y215 AromaticContact CE1-CD2 3.97Å; F213-Y215 HydrophobicContact CE1-CD2 3.97Å; F213-Y215 AromaticContact CE1-CE1 3.83Å; F213-Y215 HydrophobicContact CE1-CE1 3.83Å; F213-Y215 HydrophobicContact CE1-CE2 4.05Å; F213-Y215 AromaticContact CE1-CG 3.77Å; F213-Y215 HydrophobicContact CE1-CG 3.77Å; F213-Y215 AromaticContact CE1-CZ 3.98Å; F213-Y215 AromaticContact CZ-CD1 3.84Å; F213-Y215 HydrophobicContact CZ-CD1 3.84Å; F213-Y215 HydrophobicContact CZ-CE1 4.17Å; F213-Y215 HydrophobicContact CZ-CG 4.18Å; Y215-S217 PolarHBondContact O-N 3.38Å; Y215-R218 CarbonylContact O-C 3.58Å; Y215-R218 PolarHBondContact O-N 3.02Å; Y215-I223 HydrophobicContact CD2-CG1 3.86Å; Y215-I223 HydrophobicContact CE2-CG1 4.21Å; Y215-T249 HydrophobicContact CE2-CG2 4.1Å; Y215-T249 WeakPolarHBondContact OH-CB 3.33Å; Y215-T249 WeakPolarHBondContact OH-CG2 3.47Å; Y215-T249 PolarHBondContact OH-OG1 3.04Å; Y215-H252 PolarHBondContact OH-ND1 3.02Å; Y215-H252 VanDerWaalsContact OH-ND1 3.1Å; Y215-Y258 HydrophobicContact CD1-CE1 4.36Å; Y215-Y258 HydrophobicContact CD1-CE2 4.18Å; Y215-Y258 HydrophobicContact CE1-CD2 4.13Å; Y215-Y258 AromaticContact CE1-CE2 3.62Å; Y215-Y258 HydrophobicContact CE1-CE2 3.62Å; Y215-Y258 AromaticContact CE1-CZ 3.89Å | ||
| 216 | P | 89.8 | Confident | 91.8 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 66% | 0.656 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.9 | 179.6 | -28.5 | 35.6 | 0 | 0 | 0 | 115.3 | R218 | P216-R218 VanDerWaalsContact C-N 3.35Š|
| 217 | S | 89.5 | Confident | 91.7 | Very high | 103 Ų | 103 | 58.5 Ų | 58.5 | 72% | 0.72 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.1 | 175.4 | 55.1 | 0 | 0 | 0 | 0 | 114.7 | Y215 | Y215-S217 PolarHBondContact O-N 3.38Š|
| 218 | R | 90.1 | Very high | 91.7 | Very high | 172 Ų | 172 | 60.4 Ų | 60.4 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | trans | -150 | 67.6 | 178.8 | -64 | -171.8 | -174.7 | 170.1 | 3.7 | 110.2 | Y215 P216 D220 T221 | Y215-R218 CarbonylContact O-C 3.58Å; Y215-R218 PolarHBondContact O-N 3.02Å; P216-R218 VanDerWaalsContact C-N 3.35Å; R218-D220 PolarHBondContact O-N 2.85Å; R218-D220 VanDerWaalsContact O-N 3.16Å; R218-T221 PolarHBondContact O-N 3.21Å | ||
| 219 | P | 88 | Confident | 91.6 | Very high | 84 Ų | 84 | 61.2 Ų | 61.2 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30 | -173.6 | 24.9 | -35 | 0 | 0 | 0 | 113.3 | A214 T221 | A214-P219 WeakPolarHBondContact CB-O 3.1Å; P219-T221 PolarHBondContact O-N 3.08Å |
| 220 | D | 89.5 | Confident | 91.6 | Very high | 149 Ų | 149 | 62.3 Ų | 62.3 | 80% | 0.797 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -17.7 | 178.7 | -41.5 | -70.9 | 0 | 0 | 0 | 113.2 | R218 | R218-D220 PolarHBondContact O-N 2.85Å; R218-D220 VanDerWaalsContact O-N 3.16Å |
| 221 | T | 89.1 | Confident | 91.6 | Very high | 69 Ų | 69 | 58 Ų | 58 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -102.4 | 89.4 | -176.1 | -49.9 | 0 | 0 | 0 | 0 | 110.8 | A214 R218 P219 I223 | A214-T221 WeakPolarHBondContact CB-O 3.21Å; R218-T221 PolarHBondContact O-N 3.21Å; P219-T221 PolarHBondContact O-N 3.08Å; T221-I223 HydrophobicContact CG2-CD1 3.89Å; T221-I223 PolarHBondContact O-N 3.22Å |
| 222 | V | 90.3 | Very high | 91.5 | Very high | 62 Ų | 62 | 64.7 Ų | 64.7 | 38% | 0.376 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 113.6 | 175 | -175 | 0 | 0 | 0 | 0 | 110.4 | F213 L224 K225 | F213-V222 CarbonylContact O-C 3.57Å; V222-L224 WeakPolarHBondContact CG1-O 3.27Å; V222-K225 HydrophobicContact CB-CG 4.4Å; V222-K225 HydrophobicContact CG1-CG 3.65Å; V222-K225 VanDerWaalsContact O-CE 3.24Å; V222-K225 WeakPolarHBondContact O-CE 3.46Å |
| 223 | I | 92.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 66.9 Ų | 66.9 | 19% | 0.185 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -36.3 | -174.6 | -57.7 | -59.9 | 0 | 0 | 0 | 112.5 | F213 Y215 T221 T249 G418 | F213-I223 PolarHBondContact O-N 3.23Å; Y215-I223 HydrophobicContact CD2-CG1 3.86Å; Y215-I223 HydrophobicContact CE2-CG1 4.21Å; T221-I223 HydrophobicContact CG2-CD1 3.89Å; T221-I223 PolarHBondContact O-N 3.22Å; I223-T249 HydrophobicContact CG2-CG2 4.4Å; I223-G418 WeakPolarHBondContact O-CA 3.14Å |
| 224 | L | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.3 | 172.7 | -64.5 | 177.2 | 0 | 0 | 0 | 108.7 | V211 S212 F213 V222 F227 T249 L415 | V211-L224 HydrophobicContact CG1-CD1 4.37Å; S212-L224 CarbonylContact C-O 2.98Å; S212-L224 WeakPolarHBondContact CA-O 3.4Å; F213-L224 HydrophobicContact CB-CB 4.4Å; F213-L224 PolarHBondContact N-O 2.68Å; F213-L224 PolarHBondContact O-N 3.02Å; V222-L224 WeakPolarHBondContact CG1-O 3.27Å; L224-F227 HydrophobicContact CB-CB 4.34Å; L224-F227 HydrophobicContact CD2-CD2 4.33Å; L224-F227 HydrophobicContact CD2-CG 4.45Å; L224-T249 HydrophobicContact CD1-CG2 4.03Å; L224-T249 HydrophobicContact CG-CG2 4.36Å; L224-L415 HydrophobicContact CD2-CD2 4.21Å |
| 225 | K | 92.1 | Very high | 91.1 | Very high | 86 Ų | 86 | 69.4 Ų | 69.4 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 106.4 | -171.4 | -65.5 | 168.8 | -170.8 | 147.1 | 0 | 109.8 | V222 F227 K417 G418 V419 | V222-K225 HydrophobicContact CB-CG 4.4Å; V222-K225 HydrophobicContact CG1-CG 3.65Å; V222-K225 VanDerWaalsContact O-CE 3.24Å; V222-K225 WeakPolarHBondContact O-CE 3.46Å; K225-F227 PolarHBondContact O-N 2.98Å; K225-F227 VanDerWaalsContact O-N 3.13Å; K225-K417 WeakPolarHBondContact CE-O 3.49Å; K225-K417 PolarHBondContact NZ-O 2.77Å; K225-G418 PolarHBondContact N-O 2.84Å; K225-V419 HydrophobicContact CB-CG2 3.98Å |
| 226 | N | 90.7 | Very high | 91.1 | Very high | 107 Ų | 107 | 67.7 Ų | 67.7 | 57% | 0.572 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.6 | 40.2 | -176.1 | -59.8 | -18.9 | 0 | 0 | 0 | 112.9 | V211 S212 N228 | V211-N226 PolarHBondContact O-N 3.2Å; S212-N226 PolarHBondContact OG-N 2.67Å; S212-N226 PolarHBondContact OG-OD1 3.16Å; N226-N228 PolarHBondContact O-N 3.06Å; N226-N228 PolarHBondContact O-ND2 2.85Å |
| 227 | F | 92.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.009 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 127.4 | -178 | -179.2 | -97.2 | 0 | 0 | 0 | 110.4 | F208 N210 V211 L224 K225 L229 V250 L415 V420 | F208-F227 HydrophobicContact CB-CD1 3.87Å; F208-F227 HydrophobicContact CB-CE1 4.02Å; F208-F227 AromaticContact CD1-CD1 3.78Å; F208-F227 HydrophobicContact CD1-CD1 3.78Å; F208-F227 AromaticContact CD1-CE1 3.81Å; F208-F227 HydrophobicContact CD1-CE1 3.81Å; F208-F227 HydrophobicContact CD2-CE1 4.11Å; F208-F227 HydrophobicContact CE1-CE1 4.33Å; F208-F227 AromaticContact CG-CD1 3.89Å; F208-F227 HydrophobicContact CG-CD1 3.89Å; F208-F227 AromaticContact CG-CE1 3.72Å; F208-F227 HydrophobicContact CG-CE1 3.72Å; N210-F227 PolarHBondContact N-O 2.89Å; V211-F227 HydrophobicContact CB-CB 4.31Å; V211-F227 PolarHBondContact N-O 2.99Å; V211-F227 WeakPolarHBondContact O-CB 3.45Å; V211-F227 PolarHBondContact O-N 3.38Å; L224-F227 HydrophobicContact CB-CB 4.34Å; L224-F227 HydrophobicContact CD2-CD2 4.33Å; L224-F227 HydrophobicContact CD2-CG 4.45Å; K225-F227 PolarHBondContact O-N 2.98Å; K225-F227 VanDerWaalsContact O-N 3.13Å; F227-L229 HydrophobicContact CE1-CB 3.8Å; F227-L229 HydrophobicContact CE1-CD2 4.26Å; F227-L229 HydrophobicContact CZ-CB 3.88Å; F227-L229 HydrophobicContact CZ-CD2 3.89Å; F227-V250 HydrophobicContact CE1-CG1 4.28Å; F227-V250 HydrophobicContact CE1-CG2 4.14Å; F227-V250 HydrophobicContact CE2-CG2 4.39Å; F227-V250 HydrophobicContact CZ-CG1 4.4Å; F227-V250 HydrophobicContact CZ-CG2 3.87Å; F227-L415 HydrophobicContact CD2-CD2 4.23Å; F227-L415 HydrophobicContact CE2-CD2 3.72Å; F227-L415 HydrophobicContact CE2-CG 4.1Å; F227-V420 HydrophobicContact CD2-CG2 3.76Å; F227-V420 HydrophobicContact CE2-CG2 3.47Å; F227-V420 VanDerWaalsContact CE2-CG2 3.47Å; F227-V420 HydrophobicContact CZ-CG2 4.36Å |
| 228 | N | 92.9 | Very high | 91.5 | Very high | 76 Ų | 76 | 58 Ų | 58 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133.7 | 177.7 | -72 | -83.1 | 0 | 0 | 0 | 108.6 | F208 S209 N210 N226 | F208-N228 WeakPolarHBondContact O-CA 3.27Å; S209-N228 WeakPolarHBondContact CA-OD1 3.39Å; N210-N228 PolarHBondContact N-OD1 3.04Å; N210-N228 PolarHBondContact OD1-ND2 3.11Å; N226-N228 PolarHBondContact O-N 3.06Å; N226-N228 PolarHBondContact O-ND2 2.85Å |
| 229 | L | 92.8 | Very high | 91.6 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 138.7 | 179.3 | 175.6 | 59.1 | 0 | 0 | 0 | 108.5 | T207 F208 F227 I231 L239 L411 V413 | T207-L229 CarbonylContact C-O 3.57Å; T207-L229 WeakPolarHBondContact CA-O 3.37Å; F208-L229 HydrophobicContact CB-CB 4.38Å; F208-L229 HydrophobicContact CD2-CB 4.23Å; F208-L229 PolarHBondContact N-O 3.45Å; F208-L229 PolarHBondContact O-N 2.95Å; F227-L229 HydrophobicContact CE1-CB 3.8Å; F227-L229 HydrophobicContact CE1-CD2 4.26Å; F227-L229 HydrophobicContact CZ-CB 3.88Å; F227-L229 HydrophobicContact CZ-CD2 3.89Å; L229-I231 HydrophobicContact CD2-CD1 4.12Å; L229-I231 HydrophobicContact CD2-CG1 4.15Å; L229-I231 HydrophobicContact CG-CD1 4.49Å; L229-I231 HydrophobicContact CG-CG1 4.06Å; L229-L239 HydrophobicContact CD2-CD2 4.09Å; L229-L411 HydrophobicContact CD1-CD2 4.3Å; L229-V413 HydrophobicContact CD1-CG1 4.5Å; L229-V413 HydrophobicContact CD1-CG2 3.74Å |
| 230 | S | 92.9 | Very high | 91.8 | Very high | 64 Ų | 64 | 46 Ų | 46 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.7 | 170.1 | -168.7 | 0 | 0 | 0 | 0 | 109.9 | T207 | T207-S230 PolarHBondContact OG1-OG 3.16Å |
| 231 | I | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.7 | -174.3 | -56.1 | 169.9 | 0 | 0 | 0 | 106.5 | N205 V206 F208 L229 V237 T395 V397 | N205-I231 WeakPolarHBondContact CA-O 3.42Å; V206-I231 HydrophobicContact CB-CB 4.32Å; V206-I231 HydrophobicContact CB-CD1 4.36Å; V206-I231 PolarHBondContact N-O 3.26Å; V206-I231 PolarHBondContact O-N 2.72Å; F208-I231 HydrophobicContact CE2-CD1 4.49Å; L229-I231 HydrophobicContact CD2-CD1 4.12Å; L229-I231 HydrophobicContact CD2-CG1 4.15Å; L229-I231 HydrophobicContact CG-CD1 4.49Å; L229-I231 HydrophobicContact CG-CG1 4.06Å; I231-V237 HydrophobicContact CB-CG2 4.43Å; I231-V237 HydrophobicContact CG1-CG2 4.21Å; I231-V237 HydrophobicContact CG2-CG2 3.89Å; I231-T395 HydrophobicContact CG2-CG2 3.41Å; I231-T395 VanDerWaalsContact CG2-CG2 3.41Å; I231-V397 HydrophobicContact CD1-CG2 3.84Å |
| 232 | K | 91.9 | Very high | 91.5 | Very high | 139 Ų | 139 | 38.7 Ų | 38.7 | 60% | 0.604 | 22% | 0.223 | S | C | * | . | trans | -92.2 | 154.4 | -177.9 | -60.8 | 176.3 | -177.8 | 175.8 | 0 | 111.6 | G234 Q235 T395 | K232-G234 PolarHBondContact O-N 3.14Å; K232-Q235 HydrophobicContact CB-CB 4.26Å; K232-Q235 WeakPolarHBondContact O-CB 3.46Å; K232-Q235 PolarHBondContact O-N 3.11Å; K232-T395 PolarHBondContact O-OG1 2.89Å | ||
| 233 | S | 90.6 | Very high | 91.1 | Very high | 61 Ų | 61 | 41 Ų | 41 | 43% | 0.427 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 127.6 | 170.9 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | S203 N205 Q235 T395 | S203-S233 WeakPolarHBondContact O-CB 3.34Å; S203-S233 PolarHBondContact O-OG 3.28Å; N205-S233 PolarHBondContact OD1-N 2.8Å; S233-Q235 VanDerWaalsContact C-N 3.26Å; S233-Q235 PolarHBondContact O-N 2.76Å; S233-T395 WeakPolarHBondContact CA-OG1 3.45Å |
| 234 | G | 88.2 | Confident | 90.6 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 45% | 0.454 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K232 R394 T395 | K232-G234 PolarHBondContact O-N 3.14Å; G234-R394 CarbonylContact C-O 3.51Å; G234-T395 PolarHBondContact N-OG1 3.34Å |
| 235 | Q | 91.5 | Very high | 90.2 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | trans | -85.2 | 135 | 179.6 | -164.8 | 179.8 | 3.3 | 0 | 0 | 111.3 | K232 S233 V237 V396 N410 L411 | K232-Q235 HydrophobicContact CB-CB 4.26Å; K232-Q235 WeakPolarHBondContact O-CB 3.46Å; K232-Q235 PolarHBondContact O-N 3.11Å; S233-Q235 VanDerWaalsContact C-N 3.26Å; S233-Q235 PolarHBondContact O-N 2.76Å; Q235-V237 HydrophobicContact CB-CG2 4.39Å; Q235-V237 HydrophobicContact CG-CG2 3.86Å; Q235-V396 PolarHBondContact O-N 3.12Å; Q235-N410 HydrophobicContact CG-CB 3.86Å; Q235-L411 VanDerWaalsContact NE2-CB 3.32Å | ||
| 236 | T | 92.1 | Very high | 90 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 116 | 164.9 | -60.7 | 0 | 0 | 0 | 0 | 109.5 | I391 V396 V398 A409 N410 L411 | T236-I391 WeakPolarHBondContact OG1-CG2 3.32Å; T236-V396 WeakPolarHBondContact CA-O 3.4Å; T236-V396 HydrophobicContact CG2-CB 4.29Å; T236-V398 HydrophobicContact CG2-CG2 4.31Å; T236-A409 HydrophobicContact CG2-CB 4.08Å; T236-N410 WeakPolarHBondContact CB-OD1 3.47Å; T236-N410 PolarHBondContact N-OD1 3.38Å; T236-N410 PolarHBondContact O-N 3.48Å; T236-L411 PolarHBondContact O-N 2.94Å |
| 237 | V | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.1 | 180 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | I231 Q235 L239 V396 V397 V398 L411 V413 | I231-V237 HydrophobicContact CB-CG2 4.43Å; I231-V237 HydrophobicContact CG1-CG2 4.21Å; I231-V237 HydrophobicContact CG2-CG2 3.89Å; Q235-V237 HydrophobicContact CB-CG2 4.39Å; Q235-V237 HydrophobicContact CG-CG2 3.86Å; V237-L239 HydrophobicContact CG1-CD2 4.41Å; V237-V396 PolarHBondContact N-O 2.87Å; V237-V397 WeakPolarHBondContact O-CA 3.09Å; V237-V398 PolarHBondContact O-N 3.14Å; V237-L411 CarbonylContact C-O 3.58Å; V237-L411 VanDerWaalsContact CA-O 3.31Å; V237-L411 WeakPolarHBondContact CA-O 3.28Å; V237-L411 HydrophobicContact CG1-CD2 4.38Å; V237-L411 HydrophobicContact CG2-CB 4.35Å; V237-L411 HydrophobicContact CG2-CD2 4.47Å; V237-V413 HydrophobicContact CG1-CG2 3.84Å |
| 238 | A | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V398 V406 A409 L411 I412 V413 | A238-V398 CarbonylContact C-O 3.51Å; A238-V398 WeakPolarHBondContact CA-O 3.34Å; A238-V406 HydrophobicContact CB-CB 3.58Å; A238-V406 HydrophobicContact CB-CG1 3.48Å; A238-V406 VanDerWaalsContact CB-CG1 3.48Å; A238-A409 HydrophobicContact CB-CB 3.71Å; A238-L411 PolarHBondContact N-O 3.24Å; A238-I412 HydrophobicContact CB-CG1 4.24Å; A238-V413 PolarHBondContact O-N 3.11Å |
| 239 | L | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 115.6 | 176 | -54.4 | -176.4 | 0 | 0 | 0 | 109.2 | L229 V237 V250 V397 V398 V399 A400 V413 L415 | L229-L239 HydrophobicContact CD2-CD2 4.09Å; V237-L239 HydrophobicContact CG1-CD2 4.41Å; L239-V250 HydrophobicContact CD1-CB 3.7Å; L239-V250 HydrophobicContact CD1-CG1 3.85Å; L239-V250 HydrophobicContact CD1-CG2 4.05Å; L239-V397 HydrophobicContact CD1-CG1 3.89Å; L239-V397 HydrophobicContact CG-CG1 4.16Å; L239-V398 PolarHBondContact N-O 3.11Å; L239-V399 HydrophobicContact CB-CG2 4.07Å; L239-V399 HydrophobicContact CD1-CG2 3.97Å; L239-V399 HydrophobicContact CG-CG2 4.47Å; L239-A400 PolarHBondContact O-N 3.35Å; L239-V413 HydrophobicContact CD2-CB 3.97Å; L239-V413 HydrophobicContact CD2-CG1 4.43Å; L239-V413 HydrophobicContact CD2-CG2 4.34Å; L239-L415 HydrophobicContact CB-CD1 4.28Å; L239-L415 HydrophobicContact CD2-CD1 4.32Å |
| 240 | V | 91.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 154.8 | -174 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | L403 V406 I412 V413 V414 L415 Y436 M439 | V240-L403 HydrophobicContact CG1-CD2 3.72Å; V240-L403 HydrophobicContact CG2-CD2 4.21Å; V240-V406 HydrophobicContact CG2-CG2 4.14Å; V240-I412 HydrophobicContact CB-CG2 4.37Å; V240-I412 HydrophobicContact CG2-CG2 3.81Å; V240-V413 PolarHBondContact N-O 3.45Å; V240-V414 WeakPolarHBondContact O-CA 3.42Å; V240-L415 PolarHBondContact O-N 3.23Å; V240-Y436 HydrophobicContact CG1-CD2 4.21Å; V240-Y436 HydrophobicContact CG1-CE2 4.47Å; V240-Y436 HydrophobicContact CG2-CE2 4.47Å; V240-M439 HydrophobicContact CG1-SD 3.96Å |
| 241 | G | 87.8 | Confident | 89.9 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | trans | 149.8 | 167.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K247 L415 | G241-K247 PolarHBondContact O-NZ 2.89Å; G241-L415 WeakPolarHBondContact CA-O 3.34Å | ||
| 242 | P | 84.8 | Confident | 89.9 | Confident | 53 Ų | 53 | 30.1 Ų | 30.1 | 34% | 0.344 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -67.8 | 164.9 | -178.5 | 31.5 | -34.5 | 0 | 0 | 0 | 111.9 | G244 S245 L415 M439 | P242-G244 PolarHBondContact O-N 3Å; P242-S245 WeakPolarHBondContact O-CB 3.44Å; P242-S245 PolarHBondContact O-N 3.47Å; P242-S245 VanDerWaalsContact O-N 3.08Å; P242-S245 PolarHBondContact O-OG 3.3Å; P242-L415 WeakPolarHBondContact CD-O 3.33Å; P242-M439 HydrophobicContact CB-CE 4.48Å; P242-M439 HydrophobicContact CG-CE 4.44Å |
| 243 | S | 82.7 | Confident | 89.9 | Confident | 110 Ų | 110 | 23.6 Ų | 23.6 | 77% | 0.769 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 128.3 | 175.6 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 244 | G | 81.3 | Confident | 90 | Very high | 71 Ų | 71 | 20.7 Ų | 20.7 | 73% | 0.732 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 0.8 | -177 | 0 | 0 | 0 | 0 | 0 | 116.2 | P242 G246 | P242-G244 PolarHBondContact O-N 3Å; G244-G246 PolarHBondContact O-N 3.03Å |
| 245 | S | 85.7 | Confident | 90.2 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -69.8 | -9.1 | -179.7 | 73.3 | 0 | 0 | 0 | 0 | 115.9 | P242 K247 L415 G418 | P242-S245 WeakPolarHBondContact O-CB 3.44Å; P242-S245 PolarHBondContact O-N 3.47Å; P242-S245 VanDerWaalsContact O-N 3.08Å; P242-S245 PolarHBondContact O-OG 3.3Å; S245-K247 WeakPolarHBondContact OG-CG 3.14Å; S245-L415 WeakPolarHBondContact CB-O 3.41Å; S245-L415 PolarHBondContact OG-O 3.42Å; S245-G418 WeakPolarHBondContact O-CA 3.25Å; S245-G418 PolarHBondContact O-N 2.9Å |
| 246 | G | 87.4 | Confident | 90.3 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 115.3 | -6.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | G244 S248 T249 V250 | G244-G246 PolarHBondContact O-N 3.03Å; G246-S248 PolarHBondContact O-N 3.29Å; G246-T249 WeakPolarHBondContact O-CA 3.49Å; G246-T249 WeakPolarHBondContact O-CB 3.44Å; G246-T249 PolarHBondContact O-N 3.04Å; G246-T249 PolarHBondContact O-OG1 3.29Å; G246-V250 PolarHBondContact O-N 3.37Å |
| 247 | K | 90.2 | Very high | 90.3 | Very high | 12 Ų | 12 | 19 Ų | 19 | 5% | 0.052 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -40.8 | -67.2 | -171.1 | -41.1 | -166.1 | -56.9 | -86.6 | 0 | 115.1 | G241 S245 T249 V250 E370 V399 | G241-K247 PolarHBondContact O-NZ 2.89Å; S245-K247 WeakPolarHBondContact OG-CG 3.14Å; K247-T249 PolarHBondContact O-N 3.06Å; K247-V250 VanDerWaalsContact O-CB 3.32Å; K247-V250 WeakPolarHBondContact O-CB 3.02Å; K247-V250 PolarHBondContact O-N 2.78Å; K247-E370 WeakPolarHBondContact CE-OE1 3.4Å; K247-E370 IonicContact NZ-OE1 3.86Å; K247-E370 PolarHBondContact NZ-OE1 3.14Å; K247-V399 HydrophobicContact CB-CB 4.43Å; K247-V399 HydrophobicContact CB-CG1 3.48Å; K247-V399 VanDerWaalsContact CB-CG1 3.48Å; K247-V399 HydrophobicContact CB-CG2 4.02Å; K247-V399 HydrophobicContact CD-CG1 4.01Å; K247-V399 HydrophobicContact CG-CG1 4.36Å |
| 248 | S | 90.9 | Very high | 90.2 | Very high | 30 Ų | 30 | 21.4 Ų | 21.4 | 21% | 0.21 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.3 | -18.9 | 179.9 | -46.9 | 0 | 0 | 0 | 0 | 114 | G246 V250 I251 H252 D369 | G246-S248 PolarHBondContact O-N 3.29Å; S248-V250 VanDerWaalsContact C-N 3.26Å; S248-V250 PolarHBondContact O-N 3.16Å; S248-I251 PolarHBondContact O-N 3.45Å; S248-I251 VanDerWaalsContact O-N 3.15Å; S248-H252 PolarHBondContact O-N 3.07Å; S248-H252 PolarHBondContact O-ND1 2.9Å; S248-D369 WeakPolarHBondContact CB-OD1 3.34Å; S248-D369 WeakPolarHBondContact CB-OD2 3.48Å; S248-D369 PolarHBondContact OG-OD1 3.32Å; S248-D369 PolarHBondContact OG-OD2 3.19Å |
| 249 | T | 92.5 | Very high | 90.1 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.4 | -30.9 | 172.7 | -47.8 | 0 | 0 | 0 | 0 | 111.1 | F213 Y215 I223 L224 G246 K247 H252 M253 | F213-T249 HydrophobicContact CD1-CG2 3.55Å; F213-T249 HydrophobicContact CE1-CG2 3.73Å; Y215-T249 HydrophobicContact CE2-CG2 4.1Å; Y215-T249 WeakPolarHBondContact OH-CB 3.33Å; Y215-T249 WeakPolarHBondContact OH-CG2 3.47Å; Y215-T249 PolarHBondContact OH-OG1 3.04Å; I223-T249 HydrophobicContact CG2-CG2 4.4Å; L224-T249 HydrophobicContact CD1-CG2 4.03Å; L224-T249 HydrophobicContact CG-CG2 4.36Å; G246-T249 WeakPolarHBondContact O-CA 3.49Å; G246-T249 WeakPolarHBondContact O-CB 3.44Å; G246-T249 PolarHBondContact O-N 3.04Å; G246-T249 PolarHBondContact O-OG1 3.29Å; K247-T249 PolarHBondContact O-N 3.06Å; T249-H252 PolarHBondContact O-N 3.3Å; T249-M253 VanDerWaalsContact O-CG 3.28Å; T249-M253 WeakPolarHBondContact O-CG 3.17Å; T249-M253 PolarHBondContact O-N 3.08Å |
| 250 | V | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 171.1 | -172.8 | 0 | 0 | 0 | 0 | 110 | F208 F227 L239 G246 K247 S248 H252 M253 L254 L415 | F208-V250 HydrophobicContact CE1-CG1 4.09Å; F208-V250 HydrophobicContact CE2-CG1 4Å; F208-V250 HydrophobicContact CZ-CG1 3.55Å; F227-V250 HydrophobicContact CE1-CG1 4.28Å; F227-V250 HydrophobicContact CE1-CG2 4.14Å; F227-V250 HydrophobicContact CE2-CG2 4.39Å; F227-V250 HydrophobicContact CZ-CG1 4.4Å; F227-V250 HydrophobicContact CZ-CG2 3.87Å; L239-V250 HydrophobicContact CD1-CB 3.7Å; L239-V250 HydrophobicContact CD1-CG1 3.85Å; L239-V250 HydrophobicContact CD1-CG2 4.05Å; G246-V250 PolarHBondContact O-N 3.37Å; K247-V250 VanDerWaalsContact O-CB 3.32Å; K247-V250 WeakPolarHBondContact O-CB 3.02Å; K247-V250 PolarHBondContact O-N 2.78Å; S248-V250 VanDerWaalsContact C-N 3.26Å; S248-V250 PolarHBondContact O-N 3.16Å; V250-H252 VanDerWaalsContact C-N 3.34Å; V250-H252 PolarHBondContact O-N 3.26Å; V250-M253 WeakPolarHBondContact O-CB 3.35Å; V250-M253 PolarHBondContact O-N 3.16Å; V250-L254 HydrophobicContact CG1-CD1 4.43Å; V250-L254 WeakPolarHBondContact O-CG 3.21Å; V250-L254 PolarHBondContact O-N 2.92Å; V250-L415 HydrophobicContact CG2-CD2 4.38Å |
| 251 | I | 92.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -35.1 | 174.9 | -76.8 | -177 | 0 | 0 | 0 | 112.5 | S248 L254 Q255 L367 D369 V397 V399 | S248-I251 PolarHBondContact O-N 3.45Å; S248-I251 VanDerWaalsContact O-N 3.15Å; I251-L254 PolarHBondContact O-N 3.01Å; I251-Q255 PolarHBondContact O-N 2.95Å; I251-Q255 VanDerWaalsContact O-N 3.14Å; I251-Q255 PolarHBondContact O-NE2 2.96Å; I251-L367 HydrophobicContact CG2-CB 4.46Å; I251-L367 HydrophobicContact CG2-CD1 4.49Å; I251-D369 HydrophobicContact CD1-CB 3.72Å; I251-D369 HydrophobicContact CG2-CB 4.3Å; I251-V397 HydrophobicContact CG1-CG1 4.46Å; I251-V399 HydrophobicContact CD1-CB 4.19Å; I251-V399 HydrophobicContact CD1-CG2 3.5Å; I251-V399 HydrophobicContact CG1-CG2 4.03Å |
| 252 | H | 92.7 | Very high | 90.3 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.6 | -33.2 | 173.2 | -64.3 | 151.6 | 0 | 0 | 0 | 113.3 | Y215 S248 T249 V250 R256 F257 Y258 | Y215-H252 PolarHBondContact OH-ND1 3.02Å; Y215-H252 VanDerWaalsContact OH-ND1 3.1Å; S248-H252 PolarHBondContact O-N 3.07Å; S248-H252 PolarHBondContact O-ND1 2.9Å; T249-H252 PolarHBondContact O-N 3.3Å; V250-H252 VanDerWaalsContact C-N 3.34Å; V250-H252 PolarHBondContact O-N 3.26Å; H252-R256 PolarHBondContact O-N 3.31Å; H252-F257 HydrophobicContact CB-CD2 4.31Å; H252-F257 AromaticContact CD2-CD2 3.65Å; H252-F257 AromaticContact CD2-CE2 3.98Å; H252-F257 PolarHBondContact O-N 3.14Å; H252-Y258 HydrophobicContact CB-CD2 4.04Å; H252-Y258 HydrophobicContact CB-CE2 4.2Å |
| 253 | M | 92.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.5 | -42.4 | 172 | -71 | -71.3 | 158.4 | 0 | 0 | 111.5 | F208 F213 T249 V250 Q255 R256 Y258 P260 | F208-M253 HydrophobicContact CE1-CB 3.99Å; F208-M253 HydrophobicContact CZ-CB 4.47Å; F213-M253 HydrophobicContact CB-CE 3.91Å; F213-M253 HydrophobicContact CD1-CE 3.74Å; F213-M253 HydrophobicContact CD2-CE 3.24Å; F213-M253 HydrophobicContact CE1-CE 3.99Å; F213-M253 HydrophobicContact CE2-CE 3.53Å; F213-M253 HydrophobicContact CG-CE 3.33Å; F213-M253 HydrophobicContact CZ-CE 3.88Å; T249-M253 VanDerWaalsContact O-CG 3.28Å; T249-M253 WeakPolarHBondContact O-CG 3.17Å; T249-M253 PolarHBondContact O-N 3.08Å; V250-M253 WeakPolarHBondContact O-CB 3.35Å; V250-M253 PolarHBondContact O-N 3.16Å; M253-Q255 PolarHBondContact O-N 2.89Å; M253-R256 WeakPolarHBondContact O-CA 3.4Å; M253-R256 PolarHBondContact O-N 2.88Å; M253-Y258 VanDerWaalsContact SD-O 3.4Å; M253-P260 HydrophobicContact SD-CB 4.47Å |
| 254 | L | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -30.9 | 174.8 | -69.4 | 172.4 | 0 | 0 | 0 | 112.7 | V206 F208 V250 I251 R256 Y280 L367 V397 | V206-L254 HydrophobicContact CB-CD2 4.49Å; V206-L254 HydrophobicContact CG1-CD2 3.69Å; V206-L254 HydrophobicContact CG2-CD2 4.41Å; F208-L254 HydrophobicContact CE2-CD2 3.86Å; F208-L254 HydrophobicContact CE2-CG 4.41Å; F208-L254 HydrophobicContact CZ-CD2 3.76Å; F208-L254 HydrophobicContact CZ-CG 3.97Å; V250-L254 HydrophobicContact CG1-CD1 4.43Å; V250-L254 WeakPolarHBondContact O-CG 3.21Å; V250-L254 PolarHBondContact O-N 2.92Å; I251-L254 PolarHBondContact O-N 3.01Å; L254-R256 VanDerWaalsContact C-N 3.31Å; L254-Y280 VanDerWaalsContact O-CE1 3.23Å; L254-Y280 WeakPolarHBondContact O-CE1 3.28Å; L254-Y280 PolarHBondContact O-OH 3.4Å; L254-L367 HydrophobicContact CB-CD1 3.87Å; L254-L367 HydrophobicContact CB-CD2 4.25Å; L254-L367 HydrophobicContact CD1-CD2 3.59Å; L254-V397 HydrophobicContact CD1-CB 4.2Å; L254-V397 HydrophobicContact CD1-CG1 4.07Å; L254-V397 HydrophobicContact CD1-CG2 3.95Å |
| 255 | Q | 92.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2.1 | 174 | -69.8 | 169.5 | 96.7 | 0 | 0 | 113.6 | I251 M253 F257 R281 C286 L367 | I251-Q255 PolarHBondContact O-N 2.95Å; I251-Q255 VanDerWaalsContact O-N 3.14Å; I251-Q255 PolarHBondContact O-NE2 2.96Å; M253-Q255 PolarHBondContact O-N 2.89Å; Q255-F257 VanDerWaalsContact C-N 3.28Å; Q255-F257 HydrophobicContact CB-CD1 3.83Å; Q255-F257 HydrophobicContact CB-CD2 4.31Å; Q255-F257 HydrophobicContact CB-CE1 3.67Å; Q255-F257 HydrophobicContact CB-CE2 4.16Å; Q255-F257 HydrophobicContact CB-CG 4.16Å; Q255-F257 HydrophobicContact CB-CZ 3.85Å; Q255-F257 HydrophobicContact CG-CE1 4.49Å; Q255-F257 HydrophobicContact CG-CZ 4.28Å; Q255-F257 PolarHBondContact O-N 3.12Å; Q255-F257 VanDerWaalsContact OE1-CZ 3.25Å; Q255-R281 PolarHBondContact O-NE 3.29Å; Q255-R281 PolarHBondContact O-NH2 3.13Å; Q255-C286 PolarHBondContact OE1-SG 3.32Å; Q255-L367 HydrophobicContact CG-CD1 3.66Å |
| 256 | R | 92.9 | Very high | 92.1 | Very high | 24 Ų | 24 | 32 Ų | 32 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 51.3 | -169.4 | -165.2 | 173.4 | 168.6 | -151.2 | -10.5 | 112 | I190 H252 M253 L254 Y258 D259 I272 K273 L277 R281 | I190-R256 HydrophobicContact CD1-CG 4.42Å; I190-R256 HydrophobicContact CG2-CG 4.48Å; H252-R256 PolarHBondContact O-N 3.31Å; M253-R256 WeakPolarHBondContact O-CA 3.4Å; M253-R256 PolarHBondContact O-N 2.88Å; L254-R256 VanDerWaalsContact C-N 3.31Å; R256-Y258 VanDerWaalsContact C-N 3.32Å; R256-D259 WeakPolarHBondContact CG-OD1 3.47Å; R256-D259 IonicContact CZ-OD1 3.77Å; R256-D259 IonicContact NE-OD1 2.72Å; R256-D259 PolarHBondContact NE-OD1 3.12Å; R256-D259 IonicContact NH2-OD1 2.77Å; R256-I272 HydrophobicContact CB-CD1 4.03Å; R256-I272 HydrophobicContact CB-CG1 4.46Å; R256-I272 WeakPolarHBondContact CD-O 3.22Å; R256-I272 PolarHBondContact NH1-O 2.77Å; R256-K273 PolarHBondContact NH1-O 2.69Å; R256-K273 PolarHBondContact NH2-O 2.84Å; R256-L277 HydrophobicContact CB-CD1 3.99Å; R256-L277 HydrophobicContact CG-CD1 4.49Å; R256-R281 PolarHBondContact O-NH2 3.31Å |
| 257 | F | 91.7 | Very high | 92.2 | Very high | 27 Ų | 27 | 31.7 Ų | 31.7 | 12% | 0.118 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -77.8 | -25.4 | 166.4 | -66.3 | -15.5 | 0 | 0 | 0 | 111.5 | H252 Q255 Y728 T731 A732 | H252-F257 HydrophobicContact CB-CD2 4.31Å; H252-F257 AromaticContact CD2-CD2 3.65Å; H252-F257 AromaticContact CD2-CE2 3.98Å; H252-F257 PolarHBondContact O-N 3.14Å; Q255-F257 VanDerWaalsContact C-N 3.28Å; Q255-F257 HydrophobicContact CB-CD1 3.83Å; Q255-F257 HydrophobicContact CB-CD2 4.31Å; Q255-F257 HydrophobicContact CB-CE1 3.67Å; Q255-F257 HydrophobicContact CB-CE2 4.16Å; Q255-F257 HydrophobicContact CB-CG 4.16Å; Q255-F257 HydrophobicContact CB-CZ 3.85Å; Q255-F257 HydrophobicContact CG-CE1 4.49Å; Q255-F257 HydrophobicContact CG-CZ 4.28Å; Q255-F257 PolarHBondContact O-N 3.12Å; Q255-F257 VanDerWaalsContact OE1-CZ 3.25Å; F257-Y728 AromaticContact CD2-CD1 3.63Å; F257-Y728 HydrophobicContact CD2-CD1 3.63Å; F257-Y728 AromaticContact CD2-CE1 3.97Å; F257-Y728 HydrophobicContact CD2-CE1 3.97Å; F257-Y728 AromaticContact CE2-CD1 3.55Å; F257-Y728 HydrophobicContact CE2-CD1 3.55Å; F257-Y728 HydrophobicContact CE2-CE1 4.33Å; F257-Y728 HydrophobicContact CE2-CG 4.29Å; F257-Y728 HydrophobicContact CG-CD1 4.39Å; F257-Y728 HydrophobicContact CZ-CD1 4.24Å; F257-T731 HydrophobicContact CD1-CG2 4.15Å; F257-T731 HydrophobicContact CE1-CG2 3.85Å; F257-A732 HydrophobicContact CZ-CB 4.15Å |
| 258 | Y | 92.8 | Very high | 92.1 | Very high | 50 Ų | 50 | 33.4 Ų | 33.4 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -137.3 | 151.2 | 173.4 | -52 | -81.8 | 0 | 0 | 0 | 108.2 | F213 Y215 H252 M253 R256 Y728 | F213-Y258 HydrophobicContact CE2-CD1 4.47Å; F213-Y258 HydrophobicContact CE2-CG 4.15Å; F213-Y258 HydrophobicContact CZ-CD1 4.06Å; F213-Y258 HydrophobicContact CZ-CD2 4.2Å; F213-Y258 AromaticContact CZ-CG 3.73Å; F213-Y258 HydrophobicContact CZ-CG 3.73Å; Y215-Y258 HydrophobicContact CD1-CE1 4.36Å; Y215-Y258 HydrophobicContact CD1-CE2 4.18Å; Y215-Y258 HydrophobicContact CE1-CD2 4.13Å; Y215-Y258 AromaticContact CE1-CE2 3.62Å; Y215-Y258 HydrophobicContact CE1-CE2 3.62Å; Y215-Y258 AromaticContact CE1-CZ 3.89Å; H252-Y258 HydrophobicContact CB-CD2 4.04Å; H252-Y258 HydrophobicContact CB-CE2 4.2Å; M253-Y258 VanDerWaalsContact SD-O 3.4Å; R256-Y258 VanDerWaalsContact C-N 3.32Å; Y258-Y728 PolarHBondContact OH-OH 2.87Å |
| 259 | D | 91.8 | Very high | 91.8 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | trans | -93.7 | 152.4 | 167.6 | -86.9 | 14.7 | 0 | 0 | 0 | 109.4 | R256 K273 | R256-D259 WeakPolarHBondContact CG-OD1 3.47Å; R256-D259 IonicContact CZ-OD1 3.77Å; R256-D259 IonicContact NE-OD1 2.72Å; R256-D259 PolarHBondContact NE-OD1 3.12Å; R256-D259 IonicContact NH2-OD1 2.77Å; D259-K273 IonicContact OD2-NZ 3.83Å; D259-K273 PolarHBondContact OD2-NZ 3.02Å | ||
| 260 | P | 92.3 | Very high | 91.7 | Very high | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | trans | -71.2 | 143.2 | 177.9 | 30.3 | -36.4 | 0 | 0 | 0 | 112 | V211 M253 | V211-P260 HydrophobicContact CG1-CB 3.91Å; V211-P260 HydrophobicContact CG2-CB 4.38Å; M253-P260 HydrophobicContact SD-CB 4.47Å | ||
| 261 | T | 91 | Very high | 91.6 | Very high | 98 Ų | 98 | 40.6 Ų | 40.6 | 60% | 0.601 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -74.2 | -32.5 | 178.9 | -44.2 | 0 | 0 | 0 | 0 | 112.2 | S212 | S212-T261 WeakPolarHBondContact O-CA 3.39Å; S212-T261 WeakPolarHBondContact O-CB 3.48Å; S212-T261 PolarHBondContact O-N 3.34Å |
| 262 | K | 92.1 | Very high | 91.4 | Very high | 148 Ų | 148 | 40.7 Ų | 40.7 | 64% | 0.643 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 158.9 | 167.3 | -61.5 | -174.6 | 179.6 | -179.2 | 0 | 109.2 | V211 S212 | V211-K262 CarbonylContact C-O 3.49Å; V211-K262 WeakPolarHBondContact CA-O 3.31Å; S212-K262 PolarHBondContact N-O 3.02Å; S212-K262 PolarHBondContact O-N 2.9Å; S212-K262 VanDerWaalsContact O-N 3.07Å |
| 263 | G | 91.8 | Very high | 91.2 | Very high | 34 Ų | 34 | 43 Ų | 43 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 80.8 | -171.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | S209 N210 | S209-G263 CarbonylContact O-C 3.52Å; S209-G263 WeakPolarHBondContact O-CA 3.36Å; N210-G263 WeakPolarHBondContact O-CA 3.44Å |
| 264 | K | 93.6 | Very high | 91 | Very high | 106 Ų | 106 | 47.2 Ų | 47.2 | 46% | 0.461 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 154.7 | -177 | -69.1 | -177 | 169.9 | -122.9 | 0 | 111.6 | S209 V211 L266 D271 | S209-K264 PolarHBondContact N-O 3.47Å; S209-K264 PolarHBondContact O-N 2.92Å; V211-K264 WeakPolarHBondContact CG2-O 3.4Å; K264-L266 HydrophobicContact CB-CD2 4.35Å; K264-D271 VanDerWaalsContact CD-OD2 3.27Å; K264-D271 WeakPolarHBondContact CD-OD2 3.48Å; K264-D271 VanDerWaalsContact CE-OD2 3.28Å; K264-D271 WeakPolarHBondContact CE-OD2 3.3Å; K264-D271 WeakPolarHBondContact CG-OD2 3.45Å; K264-D271 IonicContact NZ-OD2 2.62Å; K264-D271 PolarHBondContact NZ-OD2 3.41Å |
| 265 | V | 94 | Very high | 90.8 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.8 | 166.6 | -177 | 0 | 0 | 0 | 0 | 106.6 | V206 F208 V211 I267 I272 | V206-V265 HydrophobicContact CG1-CG1 4.2Å; F208-V265 HydrophobicContact CD1-CG1 4.48Å; F208-V265 HydrophobicContact CD1-CG2 3.72Å; F208-V265 HydrophobicContact CE1-CG1 4.21Å; F208-V265 HydrophobicContact CE1-CG2 3.71Å; F208-V265 HydrophobicContact CZ-CG1 4.22Å; V211-V265 HydrophobicContact CG2-CG2 4.04Å; V265-I267 HydrophobicContact CG1-CD1 4.35Å; V265-I272 HydrophobicContact CB-CB 4.43Å; V265-I272 HydrophobicContact CB-CG2 3.94Å; V265-I272 HydrophobicContact CG1-CD1 4.35Å; V265-I272 WeakPolarHBondContact O-CB 3.3Å; V265-I272 PolarHBondContact O-N 3.35Å |
| 266 | L | 93 | Very high | 90.7 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 18% | 0.183 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.3 | -177.1 | -55.5 | 175.1 | 0 | 0 | 0 | 109.5 | V206 T207 K264 E270 D271 | V206-L266 CarbonylContact C-O 3.54Å; V206-L266 WeakPolarHBondContact CA-O 3.28Å; T207-L266 PolarHBondContact N-O 3.38Å; T207-L266 PolarHBondContact O-N 3.24Å; K264-L266 HydrophobicContact CB-CD2 4.35Å; L266-E270 CarbonylContact C-O 3.6Å; L266-E270 VanDerWaalsContact CA-O 3.32Å; L266-E270 WeakPolarHBondContact CA-O 3.48Å; L266-D271 HydrophobicContact CD2-CB 4.29Å |
| 267 | I | 90.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 113.8 | 177.6 | -52.8 | -59.5 | 0 | 0 | 0 | 106.5 | I199 F202 V206 V265 D269 E270 I272 Y280 | I199-I267 HydrophobicContact CD1-CB 4.37Å; I199-I267 HydrophobicContact CD1-CG2 3.95Å; F202-I267 HydrophobicContact CD2-CG2 3.99Å; F202-I267 HydrophobicContact CE2-CG2 3.56Å; V206-I267 HydrophobicContact CB-CD1 4.28Å; V206-I267 HydrophobicContact CG1-CD1 3.81Å; V206-I267 HydrophobicContact CG2-CD1 3.73Å; V265-I267 HydrophobicContact CG1-CD1 4.35Å; I267-D269 VanDerWaalsContact C-N 3.26Å; I267-D269 PolarHBondContact O-N 2.68Å; I267-E270 PolarHBondContact N-O 3.43Å; I267-E270 PolarHBondContact O-N 3.44Å; I267-I272 HydrophobicContact CD1-CD1 4.2Å; I267-I272 HydrophobicContact CD1-CG1 4.46Å; I267-I272 HydrophobicContact CG1-CB 4.02Å; I267-I272 HydrophobicContact CG1-CD1 4.16Å; I267-I272 HydrophobicContact CG1-CG1 3.86Å; I267-Y280 HydrophobicContact CD1-CE2 4.04Å; I267-Y280 VanDerWaalsContact CD1-OH 3.3Å; I267-Y280 WeakPolarHBondContact CD1-OH 3.28Å; I267-Y280 HydrophobicContact CG1-CE2 4Å; I267-Y280 HydrophobicContact CG2-CD2 4.28Å; I267-Y280 HydrophobicContact CG2-CE2 3.77Å |
| 268 | E | 87.3 | Confident | 90.3 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 49.6 | -170.7 | -49.6 | -64.3 | 170.9 | 0 | 0 | 112 | I199 F202 S203 G204 N205 E270 | I199-E268 HydrophobicContact CG2-CB 4.42Å; I199-E268 HydrophobicContact CG2-CG 4.1Å; F202-E268 HydrophobicContact CD2-CG 3.84Å; F202-E268 HydrophobicContact CE2-CG 4.42Å; S203-E268 WeakPolarHBondContact CA-OE1 3.43Å; S203-E268 WeakPolarHBondContact CB-OE1 3.46Å; S203-E268 PolarHBondContact N-OE1 3.19Å; S203-E268 PolarHBondContact OG-OE1 3.44Å; S203-E268 PolarHBondContact OG-OE2 3.24Å; G204-E268 PolarHBondContact N-OE1 2.9Å; N205-E268 WeakPolarHBondContact CB-OE2 3.24Å; N205-E268 PolarHBondContact N-OE1 2.94Å; N205-E268 PolarHBondContact ND2-OE2 3.29Å; N205-E268 PolarHBondContact O-N 3.28Å; N205-E268 VanDerWaalsContact O-N 3.12Å; E268-E270 PolarHBondContact O-N 3.38Å; E268-E270 VanDerWaalsContact O-N 3.07Å |
| 269 | D | 85.2 | Confident | 90.1 | Very high | 142 Ų | 142 | 48.1 Ų | 48.1 | 76% | 0.759 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | -0.1 | -174.7 | -59.7 | -38 | 0 | 0 | 0 | 117.2 | I267 | I267-D269 VanDerWaalsContact C-N 3.26Å; I267-D269 PolarHBondContact O-N 2.68Å |
| 270 | E | 89 | Confident | 90 | Very high | 33 Ų | 33 | 46.7 Ų | 46.7 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.8 | 175.9 | -174.4 | 141.4 | -128.1 | 0 | 0 | 112.6 | R197 L266 I267 E268 I272 N274 V275 | R197-E270 WeakPolarHBondContact CD-OE1 3.45Å; R197-E270 WeakPolarHBondContact CD-OE2 3.44Å; R197-E270 IonicContact CZ-OE1 3.43Å; R197-E270 IonicContact CZ-OE2 2.69Å; R197-E270 VanDerWaalsContact CZ-OE2 3.32Å; R197-E270 IonicContact NE-OE2 2.96Å; R197-E270 PolarHBondContact NE-OE2 2.96Å; R197-E270 IonicContact NH1-OE1 2.64Å; R197-E270 PolarHBondContact NH1-OE1 3.02Å; R197-E270 IonicContact NH1-OE2 3.21Å; R197-E270 PolarHBondContact NH1-OE2 3.49Å; L266-E270 CarbonylContact C-O 3.6Å; L266-E270 VanDerWaalsContact CA-O 3.32Å; L266-E270 WeakPolarHBondContact CA-O 3.48Å; I267-E270 PolarHBondContact N-O 3.43Å; I267-E270 PolarHBondContact O-N 3.44Å; E268-E270 PolarHBondContact O-N 3.38Å; E268-E270 VanDerWaalsContact O-N 3.07Å; E270-I272 PolarHBondContact O-N 3.25Å; E270-N274 HydrophobicContact CG-CB 4.26Å; E270-V275 HydrophobicContact CB-CG2 4.47Å; E270-V275 HydrophobicContact CG-CG2 4.1Å |
| 271 | D | 90.7 | Very high | 90 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 124.5 | 177.2 | -165.7 | -36.2 | 0 | 0 | 0 | 110.6 | K264 L266 K273 N274 | K264-D271 VanDerWaalsContact CD-OD2 3.27Å; K264-D271 WeakPolarHBondContact CD-OD2 3.48Å; K264-D271 VanDerWaalsContact CE-OD2 3.28Å; K264-D271 WeakPolarHBondContact CE-OD2 3.3Å; K264-D271 WeakPolarHBondContact CG-OD2 3.45Å; K264-D271 IonicContact NZ-OD2 2.62Å; K264-D271 PolarHBondContact NZ-OD2 3.41Å; L266-D271 HydrophobicContact CD2-CB 4.29Å; D271-K273 PolarHBondContact O-N 3.26Å; D271-K273 WeakPolarHBondContact OD1-CB 3.27Å; D271-K273 WeakPolarHBondContact OD1-CG 3.31Å; D271-K273 PolarHBondContact OD1-N 2.61Å; D271-K273 VanDerWaalsContact OD1-N 3.15Å; D271-N274 WeakPolarHBondContact O-CB 3.38Å; D271-N274 PolarHBondContact O-N 3.1Å |
| 272 | I | 90.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -20.7 | -178.7 | -158.1 | 174.7 | 0 | 0 | 0 | 112.9 | R256 V265 I267 E270 N274 Y280 | R256-I272 HydrophobicContact CB-CD1 4.03Å; R256-I272 HydrophobicContact CB-CG1 4.46Å; R256-I272 WeakPolarHBondContact CD-O 3.22Å; R256-I272 PolarHBondContact NH1-O 2.77Å; V265-I272 HydrophobicContact CB-CB 4.43Å; V265-I272 HydrophobicContact CB-CG2 3.94Å; V265-I272 HydrophobicContact CG1-CD1 4.35Å; V265-I272 WeakPolarHBondContact O-CB 3.3Å; V265-I272 PolarHBondContact O-N 3.35Å; I267-I272 HydrophobicContact CD1-CD1 4.2Å; I267-I272 HydrophobicContact CD1-CG1 4.46Å; I267-I272 HydrophobicContact CG1-CB 4.02Å; I267-I272 HydrophobicContact CG1-CD1 4.16Å; I267-I272 HydrophobicContact CG1-CG1 3.86Å; E270-I272 PolarHBondContact O-N 3.25Å; I272-N274 VanDerWaalsContact C-N 3.32Å; I272-Y280 HydrophobicContact CD1-CE1 3.74Å; I272-Y280 HydrophobicContact CG1-CE1 4.12Å |
| 273 | K | 87.9 | Confident | 89.7 | Confident | 82 Ų | 82 | 41.7 Ų | 41.7 | 36% | 0.357 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -35.5 | 172.9 | -70.9 | 171.2 | -179.3 | -84.7 | 0 | 113.3 | R256 D259 D271 | R256-K273 PolarHBondContact NH1-O 2.69Å; R256-K273 PolarHBondContact NH2-O 2.84Å; D259-K273 IonicContact OD2-NZ 3.83Å; D259-K273 PolarHBondContact OD2-NZ 3.02Å; D271-K273 PolarHBondContact O-N 3.26Å; D271-K273 WeakPolarHBondContact OD1-CB 3.27Å; D271-K273 WeakPolarHBondContact OD1-CG 3.31Å; D271-K273 PolarHBondContact OD1-N 2.61Å; D271-K273 VanDerWaalsContact OD1-N 3.15Å |
| 274 | N | 88.6 | Confident | 89.7 | Confident | 92 Ų | 92 | 40.5 Ų | 40.5 | 49% | 0.492 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -18.4 | -174.5 | -62.3 | -7.4 | 0 | 0 | 0 | 113.6 | G196 R197 E270 D271 I272 | G196-N274 CarbonylContact C-O 3.51Å; G196-N274 VanDerWaalsContact CA-O 3.24Å; G196-N274 WeakPolarHBondContact CA-O 3.32Å; R197-N274 PolarHBondContact N-O 2.9Å; E270-N274 HydrophobicContact CG-CB 4.26Å; D271-N274 WeakPolarHBondContact O-CB 3.38Å; D271-N274 PolarHBondContact O-N 3.1Å; I272-N274 VanDerWaalsContact C-N 3.32Å |
| 275 | V | 88.1 | Confident | 89.6 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -77.2 | 143.4 | -175.7 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | R197 I199 E270 L277 | R197-V275 WeakPolarHBondContact O-CA 3.29Å; I199-V275 HydrophobicContact CD1-CG1 3.87Å; I199-V275 HydrophobicContact CD1-CG2 3.83Å; I199-V275 HydrophobicContact CG1-CG1 4.2Å; E270-V275 HydrophobicContact CB-CG2 4.47Å; E270-V275 HydrophobicContact CG-CG2 4.1Å; V275-L277 PolarHBondContact O-N 2.96Å |
| 276 | D | 89.8 | Confident | 89.5 | Confident | 20 Ų | 20 | 35.7 Ų | 35.7 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | trans | -63.1 | 119.7 | 174.1 | -175.5 | 98.2 | 0 | 0 | 0 | 111.2 | H195 R197 L198 K278 A279 Y280 | H195-D276 IonicContact ND1-OD1 3.74Å; R197-D276 PolarHBondContact O-N 2.8Å; L198-D276 HydrophobicContact CD2-CB 3.88Å; D276-K278 PolarHBondContact O-N 2.64Å; D276-K278 PolarHBondContact OD2-N 3.24Å; D276-K278 VanDerWaalsContact OD2-N 3.07Å; D276-A279 HydrophobicContact CB-CB 4.07Å; D276-A279 WeakPolarHBondContact OD2-CB 3.48Å; D276-A279 PolarHBondContact OD2-N 3.05Å; D276-Y280 WeakPolarHBondContact O-CB 3.4Å; D276-Y280 PolarHBondContact O-N 3.49Å | ||
| 277 | L | 89.4 | Confident | 89.4 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.9 | -28.8 | -168.4 | -173.1 | 54.7 | 0 | 0 | 0 | 113.6 | I190 K192 R256 V275 Y280 R281 | I190-L277 HydrophobicContact CG2-CD2 3.63Å; K192-L277 HydrophobicContact CG-CD2 4.3Å; R256-L277 HydrophobicContact CB-CD1 3.99Å; R256-L277 HydrophobicContact CG-CD1 4.49Å; V275-L277 PolarHBondContact O-N 2.96Å; L277-Y280 HydrophobicContact CD1-CD1 4.42Å; L277-R281 HydrophobicContact CD1-CG 4.33Å; L277-R281 WeakPolarHBondContact O-CB 3.22Å; L277-R281 WeakPolarHBondContact O-CG 3.48Å; L277-R281 PolarHBondContact O-N 2.79Å |
| 278 | K | 88.2 | Confident | 89.3 | Confident | 57 Ų | 57 | 35.8 Ų | 35.8 | 25% | 0.248 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -76.8 | -45 | 176.5 | -68.6 | -170.2 | -176.8 | -177.3 | 0 | 110 | K192 N193 D276 Y280 R281 N282 D737 | K192-K278 VanDerWaalsContact O-CE 3.25Å; K192-K278 WeakPolarHBondContact O-CE 3.48Å; N193-K278 WeakPolarHBondContact OD1-CE 3.38Å; N193-K278 PolarHBondContact OD1-NZ 2.86Å; D276-K278 PolarHBondContact O-N 2.64Å; D276-K278 PolarHBondContact OD2-N 3.24Å; D276-K278 VanDerWaalsContact OD2-N 3.07Å; K278-Y280 PolarHBondContact O-N 3.18Å; K278-R281 PolarHBondContact O-N 3.24Å; K278-N282 PolarHBondContact O-N 3.18Å; K278-N282 VanDerWaalsContact O-N 3.17Å; K278-N282 PolarHBondContact O-ND2 2.87Å; K278-D737 IonicContact NZ-OD1 2.67Å; K278-D737 IonicContact NZ-OD2 3.88Å; K278-D737 PolarHBondContact NZ-OD2 3.33Å |
| 279 | A | 87.8 | Confident | 89.2 | Confident | 33 Ų | 33 | 37 Ų | 37 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L198 D276 N282 | L198-A279 HydrophobicContact CD2-CB 3.49Å; L198-A279 VanDerWaalsContact CD2-CB 3.49Å; D276-A279 HydrophobicContact CB-CB 4.07Å; D276-A279 WeakPolarHBondContact OD2-CB 3.48Å; D276-A279 PolarHBondContact OD2-N 3.05Å; A279-N282 PolarHBondContact O-N 3.37Å |
| 280 | Y | 90.3 | Very high | 89 | Confident | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 177.7 | 176.4 | -117.8 | 0 | 0 | 0 | 112.6 | F202 L254 I267 I272 D276 L277 K278 N282 Q283 I284 | F202-Y280 HydrophobicContact CZ-CE2 4.46Å; L254-Y280 VanDerWaalsContact O-CE1 3.23Å; L254-Y280 WeakPolarHBondContact O-CE1 3.28Å; L254-Y280 PolarHBondContact O-OH 3.4Å; I267-Y280 HydrophobicContact CD1-CE2 4.04Å; I267-Y280 VanDerWaalsContact CD1-OH 3.3Å; I267-Y280 WeakPolarHBondContact CD1-OH 3.28Å; I267-Y280 HydrophobicContact CG1-CE2 4Å; I267-Y280 HydrophobicContact CG2-CD2 4.28Å; I267-Y280 HydrophobicContact CG2-CE2 3.77Å; I272-Y280 HydrophobicContact CD1-CE1 3.74Å; I272-Y280 HydrophobicContact CG1-CE1 4.12Å; D276-Y280 WeakPolarHBondContact O-CB 3.4Å; D276-Y280 PolarHBondContact O-N 3.49Å; L277-Y280 HydrophobicContact CD1-CD1 4.42Å; K278-Y280 PolarHBondContact O-N 3.18Å; Y280-N282 PolarHBondContact O-N 3Å; Y280-Q283 WeakPolarHBondContact O-CB 3.43Å; Y280-Q283 PolarHBondContact O-N 3.37Å; Y280-I284 HydrophobicContact CD1-CD1 4.07Å; Y280-I284 HydrophobicContact CE1-CD1 3.62Å; Y280-I284 HydrophobicContact CE2-CD1 4.19Å |
| 281 | R | 91.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -23.2 | 178.5 | -74.5 | -175.5 | -178.4 | 139 | 7 | 114.1 | Q255 R256 L277 K278 Q283 I284 R361 T731 T734 | Q255-R281 PolarHBondContact O-NE 3.29Å; Q255-R281 PolarHBondContact O-NH2 3.13Å; R256-R281 PolarHBondContact O-NH2 3.31Å; L277-R281 HydrophobicContact CD1-CG 4.33Å; L277-R281 WeakPolarHBondContact O-CB 3.22Å; L277-R281 WeakPolarHBondContact O-CG 3.48Å; L277-R281 PolarHBondContact O-N 2.79Å; K278-R281 PolarHBondContact O-N 3.24Å; R281-Q283 PolarHBondContact O-N 3.15Å; R281-I284 PolarHBondContact O-N 3.4Å; R281-R361 PolarHBondContact O-NH1 3.42Å; R281-R361 VanDerWaalsContact O-NH1 3.11Å; R281-T731 VanDerWaalsContact CD-O 3.3Å; R281-T731 WeakPolarHBondContact CD-O 3.37Å; R281-T734 HydrophobicContact CB-CG2 3.61Å; R281-T734 HydrophobicContact CG-CG2 4.38Å |
| 282 | N | 88.7 | Confident | 88.7 | Confident | 71 Ų | 71 | 37.2 Ų | 37.2 | 38% | 0.38 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69.8 | -20.9 | 171.8 | -74.1 | -23.2 | 0 | 0 | 0 | 113.4 | K278 A279 Y280 I284 R361 T734 | K278-N282 PolarHBondContact O-N 3.18Å; K278-N282 VanDerWaalsContact O-N 3.17Å; K278-N282 PolarHBondContact O-ND2 2.87Å; A279-N282 PolarHBondContact O-N 3.37Å; Y280-N282 PolarHBondContact O-N 3Å; N282-I284 VanDerWaalsContact C-N 3.33Å; N282-R361 PolarHBondContact OD1-NH1 3.44Å; N282-R361 VanDerWaalsContact OD1-NH1 3.14Å; N282-T734 PolarHBondContact OD1-OG1 2.89Å |
| 283 | Q | 89.2 | Confident | 88.6 | Confident | 77 Ų | 77 | 37.2 Ų | 37.2 | 36% | 0.36 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -5.7 | 173.4 | -59.6 | -60.5 | -38.2 | 0 | 0 | 114 | F202 Y280 R281 P363 K364 L365 | F202-Q283 HydrophobicContact CB-CG 4.45Å; F202-Q283 HydrophobicContact CD1-CB 3.52Å; F202-Q283 HydrophobicContact CD1-CG 3.86Å; F202-Q283 HydrophobicContact CE1-CB 3.79Å; F202-Q283 HydrophobicContact CG-CG 4.49Å; Y280-Q283 WeakPolarHBondContact O-CB 3.43Å; Y280-Q283 PolarHBondContact O-N 3.37Å; R281-Q283 PolarHBondContact O-N 3.15Å; Q283-P363 WeakPolarHBondContact O-CA 3.43Å; Q283-P363 WeakPolarHBondContact O-CB 3.43Å; Q283-K364 PolarHBondContact O-N 2.85Å; Q283-L365 PolarHBondContact O-N 3.05Å |
| 284 | I | 91.5 | Very high | 88.7 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.5 | -175.1 | -58.8 | 174.9 | 0 | 0 | 0 | 110.5 | Y280 R281 N282 L365 L367 | Y280-I284 HydrophobicContact CD1-CD1 4.07Å; Y280-I284 HydrophobicContact CE1-CD1 3.62Å; Y280-I284 HydrophobicContact CE2-CD1 4.19Å; R281-I284 PolarHBondContact O-N 3.4Å; N282-I284 VanDerWaalsContact C-N 3.33Å; I284-L365 WeakPolarHBondContact CA-O 3.39Å; I284-L365 HydrophobicContact CG1-CD2 4.42Å; I284-L367 HydrophobicContact CG2-CD1 3.71Å; I284-L367 HydrophobicContact CG2-CG 3.93Å |
| 285 | G | 91.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | P363 L365 L367 | G285-P363 VanDerWaalsContact N-CB 3.26Å; G285-L365 PolarHBondContact N-O 3.09Å; G285-L367 PolarHBondContact O-N 2.67Å |
| 286 | C | 91.8 | Very high | 88.7 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 5% | 0.047 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.9 | 177.8 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | Q255 L367 | Q255-C286 PolarHBondContact OE1-SG 3.32Å; C286-L367 WeakPolarHBondContact CA-O 3.33Å |
| 287 | V | 91 | Very high | 88.8 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.5 | 170.1 | -172.6 | 0 | 0 | 0 | 0 | 108 | A354 I355 A358 L367 L368 D369 A371 | V287-A354 HydrophobicContact CG1-CB 4.35Å; V287-I355 HydrophobicContact CG2-CG1 3.99Å; V287-A358 HydrophobicContact CG2-CB 4.19Å; V287-L367 PolarHBondContact N-O 3.37Å; V287-L368 HydrophobicContact CB-CD2 3.79Å; V287-L368 HydrophobicContact CG2-CD2 3.7Å; V287-D369 PolarHBondContact O-N 2.9Å; V287-A371 HydrophobicContact CG1-CB 4.22Å |
| 288 | Q | 88.1 | Confident | 88.9 | Confident | 35 Ų | 35 | 31.1 Ų | 31.1 | 16% | 0.164 | 16% | 0.161 | C | C | . | . | trans | -96.5 | 153.1 | -175.7 | -63 | 173.4 | -55.5 | 0 | 0 | 110.7 | E290 T729 | Q288-E290 VanDerWaalsContact C-N 3.29Å; Q288-E290 PolarHBondContact O-N 3.37Å; Q288-T729 PolarHBondContact OE1-OG1 2.89Å | ||
| 289 | Q | 84.6 | Confident | 89.2 | Confident | 74 Ų | 74 | 28.7 Ų | 28.7 | 35% | 0.346 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -49.8 | -45.6 | 179.6 | -178.6 | 165.9 | 53.9 | 0 | 0 | 113.4 | D369 E370 S373 S374 | Q289-D369 VanDerWaalsContact CA-O 3.29Å; Q289-D369 WeakPolarHBondContact CA-O 3.44Å; Q289-D369 WeakPolarHBondContact CB-O 3.37Å; Q289-D369 PolarHBondContact N-O 3.12Å; Q289-E370 HydrophobicContact CB-CB 4.47Å; Q289-E370 HydrophobicContact CG-CB 4.27Å; Q289-E370 VanDerWaalsContact NE2-CB 3.27Å; Q289-E370 PolarHBondContact NE2-OE2 2.91Å; Q289-S373 WeakPolarHBondContact CG-OG 3.22Å; Q289-S373 PolarHBondContact NE2-OG 3.31Å; Q289-S374 PolarHBondContact O-OG 3.27Å |
| 290 | E | 82 | Confident | 89.4 | Confident | 141 Ų | 141 | 30 Ų | 30 | 66% | 0.659 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -100.3 | 116.4 | 166.8 | -67.7 | -163.9 | 166.3 | 0 | 0 | 110.3 | Q288 V292 | Q288-E290 VanDerWaalsContact C-N 3.29Å; Q288-E290 PolarHBondContact O-N 3.37Å; E290-V292 PolarHBondContact O-N 3.19Å; E290-V292 VanDerWaalsContact O-N 3.09Å |
| 291 | P | 85.4 | Confident | 89.5 | Confident | 19 Ų | 19 | 29.7 Ų | 29.7 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | trans | -76 | 98.5 | 179.4 | 32.1 | -38.8 | 0 | 0 | 0 | 111.6 | L293 K350 Q351 A354 | P291-L293 PolarHBondContact O-N 3.08Å; P291-K350 HydrophobicContact CB-CB 3.87Å; P291-K350 HydrophobicContact CG-CB 3.4Å; P291-K350 VanDerWaalsContact CG-CB 3.4Å; P291-K350 HydrophobicContact CG-CD 4.33Å; P291-Q351 HydrophobicContact CB-CG 3.95Å; P291-Q351 HydrophobicContact CG-CG 3.62Å; P291-A354 HydrophobicContact CB-CB 3.99Å | ||
| 292 | V | 86.9 | Confident | 89.7 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 19% | 0.188 | 15% | 0.151 | C | C | . | . | trans | -70.1 | 124.2 | 174.5 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | E290 R357 S726 T729 | E290-V292 PolarHBondContact O-N 3.19Å; E290-V292 VanDerWaalsContact O-N 3.09Å; V292-R357 VanDerWaalsContact O-CZ 3.31Å; V292-R357 PolarHBondContact O-NH1 2.68Å; V292-R357 PolarHBondContact O-NH2 2.97Å; V292-S726 WeakPolarHBondContact CG1-OG 3.43Å; V292-T729 HydrophobicContact CB-CG2 4.41Å | ||
| 293 | L | 89.7 | Confident | 90 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | trans | -113.8 | 140.6 | 167.7 | -59.2 | -176.2 | 0 | 0 | 0 | 109.8 | P291 N301 V338 R341 M345 K350 I353 | P291-L293 PolarHBondContact O-N 3.08Å; L293-N301 WeakPolarHBondContact CA-OD1 3.37Å; L293-V338 HydrophobicContact CB-CG1 3.97Å; L293-V338 HydrophobicContact CD1-CG1 3.93Å; L293-R341 PolarHBondContact O-N 3.5Å; L293-M345 HydrophobicContact CD1-SD 4.21Å; L293-K350 HydrophobicContact CD1-CB 4.22Å; L293-K350 HydrophobicContact CD1-CG 3.91Å; L293-I353 HydrophobicContact CD1-CD1 4.4Å; L293-I353 HydrophobicContact CD2-CB 4.23Å; L293-I353 HydrophobicContact CD2-CG2 3.62Å | ||
| 294 | F | 89.8 | Confident | 90.1 | Very high | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.013 | 13% | 0.131 | C | C | . | . | trans | -95.9 | 160.6 | -176.4 | -62.7 | -87 | 0 | 0 | 0 | 111.3 | G296 N301 L304 E722 T729 V730 F739 | F294-G296 PolarHBondContact O-N 2.85Å; F294-N301 PolarHBondContact N-OD1 2.78Å; F294-N301 PolarHBondContact O-ND2 2.71Å; F294-L304 HydrophobicContact CB-CD1 3.93Å; F294-L304 HydrophobicContact CD2-CD1 3.39Å; F294-L304 HydrophobicContact CE2-CD1 4.05Å; F294-L304 HydrophobicContact CG-CD1 3.79Å; F294-E722 VanDerWaalsContact CA-OE1 3.28Å; F294-E722 WeakPolarHBondContact CA-OE1 3.35Å; F294-E722 WeakPolarHBondContact CB-OE1 3.43Å; F294-E722 HydrophobicContact CD1-CG 3.96Å; F294-T729 HydrophobicContact CE2-CG2 4.14Å; F294-T729 HydrophobicContact CZ-CG2 4.21Å; F294-V730 HydrophobicContact CE1-CG2 3.79Å; F294-V730 HydrophobicContact CZ-CG2 3.79Å; F294-F739 HydrophobicContact CD1-CE1 4.31Å; F294-F739 HydrophobicContact CD1-CE2 4.3Å; F294-F739 AromaticContact CD1-CZ 3.56Å; F294-F739 HydrophobicContact CD1-CZ 3.56Å; F294-F739 HydrophobicContact CE1-CE2 4Å; F294-F739 AromaticContact CE1-CZ 3.71Å; F294-F739 HydrophobicContact CE1-CZ 3.71Å; F294-F739 HydrophobicContact CG-CZ 4.13Å; F294-F739 HydrophobicContact CZ-CE2 4.37Å; F294-F739 HydrophobicContact CZ-CZ 4.4Å | ||
| 295 | E | 87.6 | Confident | 90.1 | Very high | 42 Ų | 42 | 25.6 Ų | 25.6 | 20% | 0.196 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -73.3 | 110.1 | 179.3 | -165.6 | -173.8 | 137.3 | 0 | 0 | 111.8 | F337 V338 R718 E722 R742 | E295-F337 HydrophobicContact CG-CE1 3.91Å; E295-F337 HydrophobicContact CG-CZ 3.53Å; E295-V338 WeakPolarHBondContact CA-O 3.12Å; E295-R718 IonicContact OE1-CZ 2.98Å; E295-R718 IonicContact OE1-NH1 2.71Å; E295-R718 PolarHBondContact OE1-NH1 2.93Å; E295-R718 IonicContact OE1-NH2 2.66Å; E295-R718 IonicContact OE2-CZ 3.29Å; E295-R718 IonicContact OE2-NH1 2.98Å; E295-R718 PolarHBondContact OE2-NH1 3.48Å; E295-E722 PolarHBondContact N-OE1 2.81Å; E295-R742 PolarHBondContact O-NH2 3.45Å |
| 296 | G | 87.6 | Confident | 90.2 | Very high | 10 Ų | 10 | 28 Ų | 28 | 10% | 0.103 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.2 | -166.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F294 V338 | F294-G296 PolarHBondContact O-N 2.85Å; G296-V338 PolarHBondContact N-O 3.45Å; G296-V338 PolarHBondContact O-N 3.36Å |
| 297 | T | 92 | Very high | 90.1 | Very high | 24 Ų | 24 | 31.9 Ų | 31.9 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 171.2 | 173.9 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | S299 D300 N301 D335 | T297-S299 VanDerWaalsContact C-N 3.29Å; T297-S299 PolarHBondContact OG1-N 3.11Å; T297-S299 PolarHBondContact OG1-OG 2.9Å; T297-D300 WeakPolarHBondContact CB-OD2 3.3Å; T297-D300 WeakPolarHBondContact CG2-OD2 3.4Å; T297-D300 PolarHBondContact N-OD2 3.33Å; T297-D300 PolarHBondContact O-N 3.22Å; T297-D300 PolarHBondContact OG1-N 3.5Å; T297-D300 PolarHBondContact OG1-OD2 3.29Å; T297-N301 PolarHBondContact O-N 3.08Å; T297-N301 VanDerWaalsContact O-N 3.08Å; T297-N301 PolarHBondContact O-ND2 2.72Å; T297-D335 WeakPolarHBondContact CG2-O 3.22Å |
| 298 | I | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -37.8 | 167.2 | -64.1 | 176.1 | 0 | 0 | 0 | 110.2 | D300 N301 I302 I327 L330 Y334 T336 V338 M345 I353 | I298-D300 PolarHBondContact O-N 2.83Å; I298-N301 PolarHBondContact O-N 2.88Å; I298-I302 HydrophobicContact CG2-CD1 4.07Å; I298-I302 WeakPolarHBondContact O-CG1 3.4Å; I298-I302 PolarHBondContact O-N 2.76Å; I298-I302 VanDerWaalsContact O-N 3.1Å; I298-I327 HydrophobicContact CD1-CG1 4.42Å; I298-I327 HydrophobicContact CG2-CD1 3.85Å; I298-I327 HydrophobicContact CG2-CG1 4.26Å; I298-L330 HydrophobicContact CD1-CD1 3.35Å; I298-Y334 WeakPolarHBondContact CB-O 3.39Å; I298-Y334 HydrophobicContact CG2-CD1 4.39Å; I298-Y334 PolarHBondContact N-O 2.89Å; I298-T336 PolarHBondContact N-O 3.03Å; I298-V338 HydrophobicContact CD1-CG2 4.49Å; I298-V338 HydrophobicContact CG1-CG2 3.58Å; I298-M345 HydrophobicContact CD1-CE 4.12Å; I298-I353 HydrophobicContact CD1-CD1 4.38Å; I298-I353 HydrophobicContact CG1-CD1 4.4Å; I298-I353 HydrophobicContact CG2-CD1 4.09Å; I298-I353 HydrophobicContact CG2-CG1 4.4Å |
| 299 | S | 93.8 | Very high | 90.2 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -45 | 174.9 | 90.7 | 0 | 0 | 0 | 0 | 111.9 | T297 I302 R303 Y334 | T297-S299 VanDerWaalsContact C-N 3.29Å; T297-S299 PolarHBondContact OG1-N 3.11Å; T297-S299 PolarHBondContact OG1-OG 2.9Å; S299-I302 PolarHBondContact O-N 3.04Å; S299-R303 WeakPolarHBondContact O-CB 3.35Å; S299-R303 PolarHBondContact O-N 3.07Å; S299-R303 PolarHBondContact OG-NH2 3.09Å; S299-Y334 PolarHBondContact N-O 2.94Å |
| 300 | D | 92.1 | Very high | 90.7 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 178 | -60 | -49.3 | 0 | 0 | 0 | 111.3 | T297 I298 I302 R303 L304 | T297-D300 WeakPolarHBondContact CB-OD2 3.3Å; T297-D300 WeakPolarHBondContact CG2-OD2 3.4Å; T297-D300 PolarHBondContact N-OD2 3.33Å; T297-D300 PolarHBondContact O-N 3.22Å; T297-D300 PolarHBondContact OG1-N 3.5Å; T297-D300 PolarHBondContact OG1-OD2 3.29Å; I298-D300 PolarHBondContact O-N 2.83Å; D300-I302 VanDerWaalsContact C-N 3.26Å; D300-I302 PolarHBondContact O-N 3.14Å; D300-R303 CarbonylContact O-C 3.56Å; D300-R303 PolarHBondContact O-N 3.45Å; D300-R303 VanDerWaalsContact O-N 3.13Å; D300-R303 IonicContact OD1-CZ 3.9Å; D300-R303 IonicContact OD1-NH1 3.32Å; D300-R303 PolarHBondContact OD1-NH1 2.88Å; D300-L304 WeakPolarHBondContact O-CG 3.22Å; D300-L304 PolarHBondContact O-N 3.37Å |
| 301 | N | 93.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.6 | -36 | 178.6 | -92.4 | -85.3 | 0 | 0 | 0 | 112.6 | L293 F294 T297 I298 I353 R357 | L293-N301 WeakPolarHBondContact CA-OD1 3.37Å; F294-N301 PolarHBondContact N-OD1 2.78Å; F294-N301 PolarHBondContact O-ND2 2.71Å; T297-N301 PolarHBondContact O-N 3.08Å; T297-N301 VanDerWaalsContact O-N 3.08Å; T297-N301 PolarHBondContact O-ND2 2.72Å; I298-N301 PolarHBondContact O-N 2.88Å; N301-I353 HydrophobicContact CB-CG2 4.36Å; N301-R357 WeakPolarHBondContact O-CD 3.32Å |
| 302 | I | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76.4 | -41 | 174.3 | -62 | 171.2 | 0 | 0 | 0 | 110.5 | I298 S299 D300 L304 G305 I314 A318 Y334 I353 A356 I360 | I298-I302 HydrophobicContact CG2-CD1 4.07Å; I298-I302 WeakPolarHBondContact O-CG1 3.4Å; I298-I302 PolarHBondContact O-N 2.76Å; I298-I302 VanDerWaalsContact O-N 3.1Å; S299-I302 PolarHBondContact O-N 3.04Å; D300-I302 VanDerWaalsContact C-N 3.26Å; D300-I302 PolarHBondContact O-N 3.14Å; I302-L304 PolarHBondContact O-N 2.76Å; I302-G305 PolarHBondContact O-N 3.03Å; I302-I314 HydrophobicContact CB-CG2 4.11Å; I302-I314 HydrophobicContact CD1-CG2 4.11Å; I302-I314 HydrophobicContact CG2-CB 4.35Å; I302-I314 HydrophobicContact CG2-CG1 4.18Å; I302-I314 HydrophobicContact CG2-CG2 4.03Å; I302-A318 HydrophobicContact CD1-CB 4.28Å; I302-Y334 HydrophobicContact CD1-CE1 4.32Å; I302-I353 HydrophobicContact CG1-CG2 4.14Å; I302-A356 HydrophobicContact CD1-CB 4.03Å; I302-A356 HydrophobicContact CG1-CB 4.07Å; I302-A356 HydrophobicContact CG2-CB 4.24Å; I302-I360 HydrophobicContact CG2-CD1 3.87Å |
| 303 | R | 94.7 | Very high | 92 | Very high | 67 Ų | 67 | 38 Ų | 38 | 25% | 0.253 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.2 | -23.5 | 176.8 | -158.5 | 179.8 | -58.3 | 106.3 | 8.1 | 113.5 | S299 D300 G305 K306 L307 A309 I314 | S299-R303 WeakPolarHBondContact O-CB 3.35Å; S299-R303 PolarHBondContact O-N 3.07Å; S299-R303 PolarHBondContact OG-NH2 3.09Å; D300-R303 CarbonylContact O-C 3.56Å; D300-R303 PolarHBondContact O-N 3.45Å; D300-R303 VanDerWaalsContact O-N 3.13Å; D300-R303 IonicContact OD1-CZ 3.9Å; D300-R303 IonicContact OD1-NH1 3.32Å; D300-R303 PolarHBondContact OD1-NH1 2.88Å; R303-G305 PolarHBondContact O-N 2.77Å; R303-G305 VanDerWaalsContact O-N 3.12Å; R303-K306 CarbonylContact O-C 3.51Å; R303-K306 PolarHBondContact O-N 3.28Å; R303-L307 WeakPolarHBondContact O-CA 3.46Å; R303-L307 PolarHBondContact O-N 2.9Å; R303-A309 HydrophobicContact CG-CB 4.49Å; R303-I314 HydrophobicContact CB-CD1 4.01Å; R303-I314 HydrophobicContact CG-CD1 4.3Å |
| 304 | L | 92.7 | Very high | 92.2 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -12.6 | 168.6 | -71.9 | 176.2 | 0 | 0 | 0 | 113.6 | F294 D300 I302 L307 L735 Y738 F739 | F294-L304 HydrophobicContact CB-CD1 3.93Å; F294-L304 HydrophobicContact CD2-CD1 3.39Å; F294-L304 HydrophobicContact CE2-CD1 4.05Å; F294-L304 HydrophobicContact CG-CD1 3.79Å; D300-L304 WeakPolarHBondContact O-CG 3.22Å; D300-L304 PolarHBondContact O-N 3.37Å; I302-L304 PolarHBondContact O-N 2.76Å; L304-L307 HydrophobicContact CD2-CD2 4.23Å; L304-L735 HydrophobicContact CB-CD1 3.96Å; L304-L735 HydrophobicContact CB-CD2 4.45Å; L304-L735 HydrophobicContact CD2-CD1 4.12Å; L304-L735 HydrophobicContact CD2-CD2 3.86Å; L304-L735 HydrophobicContact CG-CD1 4.45Å; L304-L735 WeakPolarHBondContact O-CD2 3.42Å; L304-Y738 HydrophobicContact CD2-CD1 4.02Å; L304-Y738 HydrophobicContact CD2-CE1 3.71Å; L304-F739 HydrophobicContact CD1-CZ 4.45Å |
| 305 | G | 91 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -46.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I302 R303 R357 R361 | I302-G305 PolarHBondContact O-N 3.03Å; R303-G305 PolarHBondContact O-N 2.77Å; R303-G305 VanDerWaalsContact O-N 3.12Å; G305-R357 WeakPolarHBondContact CA-O 3.11Å; G305-R361 WeakPolarHBondContact O-CG 3.48Å; G305-R361 PolarHBondContact O-NE 3.24Å; G305-R361 PolarHBondContact O-NH2 3.24Å |
| 306 | K | 92.3 | Very high | 92.7 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 22% | 0.217 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -140.9 | 103.9 | -178.8 | 177.3 | -171.1 | 175.5 | -150.1 | 0 | 108.6 | R303 D308 A309 E313 I360 | R303-K306 CarbonylContact O-C 3.51Å; R303-K306 PolarHBondContact O-N 3.28Å; K306-D308 VanDerWaalsContact CE-CG 3.45Å; K306-D308 WeakPolarHBondContact CE-OD1 3.46Å; K306-D308 WeakPolarHBondContact CE-OD2 3.5Å; K306-D308 WeakPolarHBondContact CG-OD1 3.18Å; K306-D308 IonicContact NZ-OD2 3.87Å; K306-D308 PolarHBondContact O-N 3.49Å; K306-A309 HydrophobicContact CB-CB 4.12Å; K306-A309 HydrophobicContact CD-CB 4.04Å; K306-A309 HydrophobicContact CG-CB 4.11Å; K306-A309 WeakPolarHBondContact O-CB 3.49Å; K306-A309 PolarHBondContact O-N 3.18Å; K306-E313 IonicContact NZ-OE1 3.41Å; K306-E313 PolarHBondContact NZ-OE1 3.2Å; K306-E313 IonicContact NZ-OE2 3.74Å; K306-E313 PolarHBondContact NZ-OE2 3.41Å; K306-I360 HydrophobicContact CB-CG1 4.22Å; K306-I360 HydrophobicContact CB-CG2 3.97Å |
| 307 | L | 89.7 | Confident | 93 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 46% | 0.461 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -26.6 | -167.5 | -65.8 | 175.2 | 0 | 0 | 0 | 114.1 | R303 L304 L735 Y738 | R303-L307 WeakPolarHBondContact O-CA 3.46Å; R303-L307 PolarHBondContact O-N 2.9Å; L304-L307 HydrophobicContact CD2-CD2 4.23Å; L307-L735 HydrophobicContact CD1-CD2 4.43Å; L307-L735 HydrophobicContact CD2-CD2 3.93Å; L307-L735 HydrophobicContact CG-CD2 4.38Å; L307-Y738 HydrophobicContact CD1-CD2 4.32Å; L307-Y738 HydrophobicContact CD1-CG 4.47Å; L307-Y738 HydrophobicContact CD2-CD2 3.99Å; L307-Y738 HydrophobicContact CD2-CE2 4.39Å; L307-Y738 HydrophobicContact CD2-CG 4.29Å |
| 308 | D | 91.2 | Very high | 93 | Very high | 122 Ų | 122 | 42 Ų | 42 | 65% | 0.652 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7.4 | 177.5 | 61.5 | -58.3 | 0 | 0 | 0 | 113.7 | K306 | K306-D308 VanDerWaalsContact CE-CG 3.45Å; K306-D308 WeakPolarHBondContact CE-OD1 3.46Å; K306-D308 WeakPolarHBondContact CE-OD2 3.5Å; K306-D308 WeakPolarHBondContact CG-OD1 3.18Å; K306-D308 IonicContact NZ-OD2 3.87Å; K306-D308 PolarHBondContact O-N 3.49Å |
| 309 | A | 91.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | trans | -68.1 | 138.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R303 K306 E313 I314 I360 | R303-A309 HydrophobicContact CG-CB 4.49Å; K306-A309 HydrophobicContact CB-CB 4.12Å; K306-A309 HydrophobicContact CD-CB 4.04Å; K306-A309 HydrophobicContact CG-CB 4.11Å; K306-A309 WeakPolarHBondContact O-CB 3.49Å; K306-A309 PolarHBondContact O-N 3.18Å; A309-E313 VanDerWaalsContact CA-OE2 3.28Å; A309-E313 WeakPolarHBondContact CA-OE2 3.25Å; A309-E313 HydrophobicContact CB-CB 4.29Å; A309-I314 HydrophobicContact CB-CG1 4.41Å; A309-I360 HydrophobicContact CB-CD1 3.55Å; A309-I360 HydrophobicContact CB-CG1 4.16Å | ||
| 310 | T | 94.6 | Very high | 92.9 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 43% | 0.429 | 25% | 0.25 | S | C | . | . | trans | -74.2 | 165.2 | 171.6 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | D312 E313 I314 | T310-D312 PolarHBondContact O-N 2.99Å; T310-D312 PolarHBondContact OG1-N 3.05Å; T310-E313 PolarHBondContact N-OE2 3.11Å; T310-E313 PolarHBondContact O-N 3.4Å; T310-E313 PolarHBondContact OG1-N 3.4Å; T310-I314 WeakPolarHBondContact O-CG1 3.14Å; T310-I314 PolarHBondContact O-N 3.31Å; T310-I314 VanDerWaalsContact O-N 3.13Å | ||
| 311 | Q | 92.1 | Very high | 92.8 | Very high | 73 Ų | 73 | 47 Ų | 47 | 34% | 0.341 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -32.8 | 173.9 | -174.1 | 59.6 | 19.8 | 0 | 0 | 111.7 | I314 E315 | Q311-I314 WeakPolarHBondContact O-CB 3.35Å; Q311-I314 PolarHBondContact O-N 3.15Å; Q311-E315 PolarHBondContact O-N 3.37Å |
| 312 | D | 94.2 | Very high | 92.6 | Very high | 118 Ų | 118 | 49.2 Ų | 49.2 | 63% | 0.631 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.7 | -43.9 | 176.2 | -45.7 | -69.9 | 0 | 0 | 0 | 111.7 | T310 I314 E315 E316 | T310-D312 PolarHBondContact O-N 2.99Å; T310-D312 PolarHBondContact OG1-N 3.05Å; D312-I314 VanDerWaalsContact C-N 3.31Å; D312-I314 PolarHBondContact O-N 3.37Å; D312-E315 PolarHBondContact O-N 3Å; D312-E316 WeakPolarHBondContact O-CG 3.18Å; D312-E316 PolarHBondContact O-N 3.4Å |
| 313 | E | 94.3 | Very high | 92.3 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -34.4 | 174.9 | -73.8 | -174.7 | 131.1 | 0 | 0 | 112.5 | K306 A309 T310 A317 I360 K362 | K306-E313 IonicContact NZ-OE1 3.41Å; K306-E313 PolarHBondContact NZ-OE1 3.2Å; K306-E313 IonicContact NZ-OE2 3.74Å; K306-E313 PolarHBondContact NZ-OE2 3.41Å; A309-E313 VanDerWaalsContact CA-OE2 3.28Å; A309-E313 WeakPolarHBondContact CA-OE2 3.25Å; A309-E313 HydrophobicContact CB-CB 4.29Å; T310-E313 PolarHBondContact N-OE2 3.11Å; T310-E313 PolarHBondContact O-N 3.4Å; T310-E313 PolarHBondContact OG1-N 3.4Å; E313-A317 VanDerWaalsContact O-CB 3.31Å; E313-A317 WeakPolarHBondContact O-CB 3.15Å; E313-A317 PolarHBondContact O-N 3.28Å; E313-I360 HydrophobicContact CB-CD1 4.37Å; E313-I360 HydrophobicContact CB-CG1 4.4Å; E313-K362 IonicContact OE1-NZ 2.93Å |
| 314 | I | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.5 | -40.9 | 173.2 | -70 | 167.3 | 0 | 0 | 0 | 110.6 | I302 R303 A309 T310 Q311 D312 A318 Y334 I360 | I302-I314 HydrophobicContact CB-CG2 4.11Å; I302-I314 HydrophobicContact CD1-CG2 4.11Å; I302-I314 HydrophobicContact CG2-CB 4.35Å; I302-I314 HydrophobicContact CG2-CG1 4.18Å; I302-I314 HydrophobicContact CG2-CG2 4.03Å; R303-I314 HydrophobicContact CB-CD1 4.01Å; R303-I314 HydrophobicContact CG-CD1 4.3Å; A309-I314 HydrophobicContact CB-CG1 4.41Å; T310-I314 WeakPolarHBondContact O-CG1 3.14Å; T310-I314 PolarHBondContact O-N 3.31Å; T310-I314 VanDerWaalsContact O-N 3.13Å; Q311-I314 WeakPolarHBondContact O-CB 3.35Å; Q311-I314 PolarHBondContact O-N 3.15Å; D312-I314 VanDerWaalsContact C-N 3.31Å; D312-I314 PolarHBondContact O-N 3.37Å; I314-A318 VanDerWaalsContact O-CB 3.26Å; I314-A318 WeakPolarHBondContact O-CB 3.46Å; I314-A318 PolarHBondContact O-N 3.17Å; I314-Y334 HydrophobicContact CG2-CD1 4.1Å; I314-Y334 HydrophobicContact CG2-CE1 3.96Å; I314-I360 HydrophobicContact CB-CD1 4.49Å; I314-I360 HydrophobicContact CG1-CD1 3.73Å |
| 315 | E | 94.5 | Very high | 92 | Very high | 55 Ų | 55 | 49 Ų | 49 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.8 | -43.2 | 174.4 | -74.3 | -149 | -177.9 | 0 | 0 | 113.1 | Q311 D312 A318 K319 H324 Y334 | Q311-E315 PolarHBondContact O-N 3.37Å; D312-E315 PolarHBondContact O-N 3Å; E315-A318 PolarHBondContact O-N 3.24Å; E315-K319 WeakPolarHBondContact O-CB 3.34Å; E315-K319 WeakPolarHBondContact O-CD 3.24Å; E315-K319 WeakPolarHBondContact O-CG 3.37Å; E315-K319 PolarHBondContact O-N 3.18Å; E315-K319 WeakPolarHBondContact OE2-CE 3.37Å; E315-K319 IonicContact OE2-NZ 2.64Å; E315-K319 PolarHBondContact OE2-NZ 2.86Å; E315-H324 IonicContact OE2-CE1 3.87Å; E315-H324 PolarHBondContact OE2-CE1 3.39Å; E315-H324 VanDerWaalsContact OE2-CE1 3.31Å; E315-Y334 HydrophobicContact CG-CE2 3.96Å |
| 316 | E | 93.2 | Very high | 91.8 | Very high | 105 Ų | 105 | 50.3 Ų | 50.3 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 174.7 | -75.6 | -169.9 | 156.6 | 0 | 0 | 111.1 | D312 A318 K319 L320 K362 | D312-E316 WeakPolarHBondContact O-CG 3.18Å; D312-E316 PolarHBondContact O-N 3.4Å; E316-A318 VanDerWaalsContact C-N 3.3Å; E316-A318 PolarHBondContact O-N 2.99Å; E316-K319 PolarHBondContact O-N 3.12Å; E316-K319 VanDerWaalsContact O-N 3.13Å; E316-L320 WeakPolarHBondContact O-CG 3.47Å; E316-L320 PolarHBondContact O-N 2.88Å; E316-K362 IonicContact OE2-NZ 3.91Å |
| 317 | A | 93.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | E313 A321 A356 I360 | E313-A317 VanDerWaalsContact O-CB 3.31Å; E313-A317 WeakPolarHBondContact O-CB 3.15Å; E313-A317 PolarHBondContact O-N 3.28Å; A317-A321 WeakPolarHBondContact O-CB 3.48Å; A317-A321 PolarHBondContact O-N 3.44Å; A317-A356 HydrophobicContact CB-CB 4.38Å; A317-I360 HydrophobicContact CB-CB 3.9Å; A317-I360 HydrophobicContact CB-CD1 4.43Å; A317-I360 HydrophobicContact CB-CG1 4.23Å |
| 318 | A | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.3 | -28.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I302 I314 E315 E316 N322 A323 H324 I327 Y334 | I302-A318 HydrophobicContact CD1-CB 4.28Å; I314-A318 VanDerWaalsContact O-CB 3.26Å; I314-A318 WeakPolarHBondContact O-CB 3.46Å; I314-A318 PolarHBondContact O-N 3.17Å; E315-A318 PolarHBondContact O-N 3.24Å; E316-A318 VanDerWaalsContact C-N 3.3Å; E316-A318 PolarHBondContact O-N 2.99Å; A318-N322 PolarHBondContact O-N 3.24Å; A318-A323 HydrophobicContact CB-CB 4.38Å; A318-A323 PolarHBondContact O-N 2.82Å; A318-H324 HydrophobicContact CB-CB 4.33Å; A318-H324 PolarHBondContact O-N 2.87Å; A318-I327 HydrophobicContact CB-CD1 4.31Å; A318-Y334 HydrophobicContact CB-CE1 4.09Å; A318-Y334 WeakPolarHBondContact CB-OH 3.41Å |
| 319 | K | 92.7 | Very high | 91.6 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -74.4 | -43 | 174.8 | -73.2 | 160.5 | -169.4 | 165.5 | 0 | 111 | E315 E316 N322 H324 | E315-K319 WeakPolarHBondContact O-CB 3.34Å; E315-K319 WeakPolarHBondContact O-CD 3.24Å; E315-K319 WeakPolarHBondContact O-CG 3.37Å; E315-K319 PolarHBondContact O-N 3.18Å; E315-K319 WeakPolarHBondContact OE2-CE 3.37Å; E315-K319 IonicContact OE2-NZ 2.64Å; E315-K319 PolarHBondContact OE2-NZ 2.86Å; E316-K319 PolarHBondContact O-N 3.12Å; E316-K319 VanDerWaalsContact O-N 3.13Å; K319-N322 PolarHBondContact O-N 2.9Å; K319-H324 WeakPolarHBondContact CE-CE1 3.44Å; K319-H324 VanDerWaalsContact CE-NE2 3.25Å; K319-H324 WeakPolarHBondContact CE-NE2 3.23Å; K319-H324 HydrophobicContact CG-CB 3.72Å |
| 320 | L | 90 | Very high | 91.4 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 41% | 0.408 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.3 | -48.6 | 171.7 | -69.7 | 171.8 | 0 | 0 | 0 | 111.3 | E316 N322 L359 | E316-L320 WeakPolarHBondContact O-CG 3.47Å; E316-L320 PolarHBondContact O-N 2.88Å; L320-N322 PolarHBondContact O-N 3.27Å; L320-N322 VanDerWaalsContact O-N 3.1Å; L320-L359 HydrophobicContact CB-CD1 3.82Å |
| 321 | A | 90.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 9.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A317 A323 C352 I355 A356 A386 | A317-A321 WeakPolarHBondContact O-CB 3.48Å; A317-A321 PolarHBondContact O-N 3.44Å; A321-A323 PolarHBondContact O-N 2.77Å; A321-C352 WeakPolarHBondContact CB-O 3.26Å; A321-C352 WeakPolarHBondContact O-CB 3.39Å; A321-I355 HydrophobicContact CB-CB 3.96Å; A321-I355 HydrophobicContact CB-CG2 3.65Å; A321-A356 HydrophobicContact CB-CB 3.82Å; A321-A386 WeakPolarHBondContact O-CB 3.27Å |
| 322 | N | 89 | Confident | 90.5 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 17.6 | -179.2 | -151.3 | 24.1 | 0 | 0 | 0 | 115.1 | A318 K319 L320 V382 A386 | A318-N322 PolarHBondContact O-N 3.24Å; K319-N322 PolarHBondContact O-N 2.9Å; L320-N322 PolarHBondContact O-N 3.27Å; L320-N322 VanDerWaalsContact O-N 3.1Å; N322-V382 PolarHBondContact ND2-O 3.46Å; N322-A386 HydrophobicContact CB-CB 3.85Å |
| 323 | A | 89.7 | Confident | 90.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -86.7 | -34.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A318 A321 G325 F326 I327 C352 | A318-A323 HydrophobicContact CB-CB 4.38Å; A318-A323 PolarHBondContact O-N 2.82Å; A321-A323 PolarHBondContact O-N 2.77Å; A323-G325 PolarHBondContact O-N 3.28Å; A323-G325 VanDerWaalsContact O-N 3.11Å; A323-F326 HydrophobicContact CB-CD1 4.43Å; A323-F326 HydrophobicContact CB-CE1 3.74Å; A323-F326 HydrophobicContact CB-CZ 4.22Å; A323-F326 VanDerWaalsContact O-CD1 3.24Å; A323-F326 WeakPolarHBondContact O-CD1 3.45Å; A323-F326 PolarHBondContact O-N 3.36Å; A323-I327 HydrophobicContact CB-CD1 3.78Å; A323-I327 HydrophobicContact CB-CG1 4.49Å; A323-I327 WeakPolarHBondContact O-CG1 3.32Å; A323-I327 PolarHBondContact O-N 2.79Å; A323-C352 HydrophobicContact CB-CB 3.98Å | ||
| 324 | H | 92.4 | Very high | 90.2 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -48.8 | -43.5 | -174.2 | -176.8 | 76.7 | 0 | 0 | 0 | 113.2 | E315 A318 K319 F326 I327 Q328 Y334 | E315-H324 IonicContact OE2-CE1 3.87Å; E315-H324 PolarHBondContact OE2-CE1 3.39Å; E315-H324 VanDerWaalsContact OE2-CE1 3.31Å; A318-H324 HydrophobicContact CB-CB 4.33Å; A318-H324 PolarHBondContact O-N 2.87Å; K319-H324 WeakPolarHBondContact CE-CE1 3.44Å; K319-H324 VanDerWaalsContact CE-NE2 3.25Å; K319-H324 WeakPolarHBondContact CE-NE2 3.23Å; K319-H324 HydrophobicContact CG-CB 3.72Å; H324-F326 VanDerWaalsContact C-N 3.35Å; H324-F326 PolarHBondContact O-N 2.97Å; H324-I327 PolarHBondContact O-N 2.67Å; H324-Q328 PolarHBondContact CE1-NE2 2.89Å; H324-Q328 VanDerWaalsContact CE1-NE2 3.32Å; H324-Q328 PolarHBondContact NE2-NE2 3.35Å; H324-Q328 VanDerWaalsContact NE2-NE2 3.12Å; H324-Q328 WeakPolarHBondContact O-CG 3.25Å; H324-Q328 PolarHBondContact O-N 3.11Å; H324-Y334 AromaticContact ND1-CE2 3.79Å; H324-Y334 AromaticContact ND1-CZ 3.76Å; H324-Y334 PolarHBondContact ND1-OH 2.86Å |
| 325 | G | 87.4 | Confident | 90.1 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 42% | 0.423 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.9 | -24.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A323 Q329 | A323-G325 PolarHBondContact O-N 3.28Å; A323-G325 VanDerWaalsContact O-N 3.11Å; G325-Q329 WeakPolarHBondContact O-CG 3.33Å; G325-Q329 PolarHBondContact O-NE2 2.97Å |
| 326 | F | 87.6 | Confident | 89.8 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -93.4 | -30.2 | 170.7 | 83.5 | -106.7 | 0 | 0 | 0 | 112 | A323 H324 Q328 Q329 M345 Q349 C352 I353 | A323-F326 HydrophobicContact CB-CD1 4.43Å; A323-F326 HydrophobicContact CB-CE1 3.74Å; A323-F326 HydrophobicContact CB-CZ 4.22Å; A323-F326 VanDerWaalsContact O-CD1 3.24Å; A323-F326 WeakPolarHBondContact O-CD1 3.45Å; A323-F326 PolarHBondContact O-N 3.36Å; H324-F326 VanDerWaalsContact C-N 3.35Å; H324-F326 PolarHBondContact O-N 2.97Å; F326-Q328 VanDerWaalsContact C-N 3.28Å; F326-Q328 PolarHBondContact O-N 3.21Å; F326-Q329 WeakPolarHBondContact O-CB 3.26Å; F326-Q329 PolarHBondContact O-N 3.39Å; F326-M345 HydrophobicContact CE2-CE 3.76Å; F326-M345 HydrophobicContact CZ-CE 4.4Å; F326-Q349 HydrophobicContact CD1-CG 4.14Å; F326-Q349 HydrophobicContact CD2-CB 4.42Å; F326-Q349 HydrophobicContact CD2-CG 3.88Å; F326-Q349 HydrophobicContact CE1-CB 4.09Å; F326-Q349 HydrophobicContact CE1-CG 3.99Å; F326-Q349 HydrophobicContact CE2-CB 3.79Å; F326-Q349 HydrophobicContact CE2-CG 3.77Å; F326-Q349 HydrophobicContact CG-CG 4.1Å; F326-Q349 HydrophobicContact CZ-CB 3.6Å; F326-Q349 HydrophobicContact CZ-CG 3.82Å; F326-Q349 WeakPolarHBondContact CZ-O 3.3Å; F326-C352 HydrophobicContact CE1-CB 4.03Å; F326-I353 HydrophobicContact CE2-CD1 4.37Å; F326-I353 HydrophobicContact CZ-CD1 4.03Å; F326-I353 HydrophobicContact CZ-CG1 4.09Å |
| 327 | I | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 175.4 | -67.1 | 166.5 | 0 | 0 | 0 | 109.9 | I298 A318 A323 H324 Q329 L330 G333 Y334 | I298-I327 HydrophobicContact CD1-CG1 4.42Å; I298-I327 HydrophobicContact CG2-CD1 3.85Å; I298-I327 HydrophobicContact CG2-CG1 4.26Å; A318-I327 HydrophobicContact CB-CD1 4.31Å; A323-I327 HydrophobicContact CB-CD1 3.78Å; A323-I327 HydrophobicContact CB-CG1 4.49Å; A323-I327 WeakPolarHBondContact O-CG1 3.32Å; A323-I327 PolarHBondContact O-N 2.79Å; H324-I327 PolarHBondContact O-N 2.67Å; I327-Q329 PolarHBondContact O-N 2.77Å; I327-Q329 VanDerWaalsContact O-N 3.15Å; I327-L330 WeakPolarHBondContact O-CB 3.25Å; I327-L330 PolarHBondContact O-N 3.05Å; I327-L330 VanDerWaalsContact O-N 3.11Å; I327-G333 WeakPolarHBondContact O-CA 3.36Å; I327-Y334 HydrophobicContact CD1-CE1 3.95Å; I327-Y334 HydrophobicContact CG2-CD1 3.94Å; I327-Y334 HydrophobicContact CG2-CD2 3.89Å; I327-Y334 HydrophobicContact CG2-CE1 4.07Å; I327-Y334 HydrophobicContact CG2-CE2 4.01Å; I327-Y334 HydrophobicContact CG2-CG 3.85Å |
| 328 | Q | 89.9 | Confident | 89.1 | Confident | 122 Ų | 122 | 54.7 Ų | 54.7 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -9.5 | 173.7 | -73.5 | -178.7 | -27.6 | 0 | 0 | 115.1 | H324 F326 | H324-Q328 PolarHBondContact CE1-NE2 2.89Å; H324-Q328 VanDerWaalsContact CE1-NE2 3.32Å; H324-Q328 PolarHBondContact NE2-NE2 3.35Å; H324-Q328 VanDerWaalsContact NE2-NE2 3.12Å; H324-Q328 WeakPolarHBondContact O-CG 3.25Å; H324-Q328 PolarHBondContact O-N 3.11Å; F326-Q328 VanDerWaalsContact C-N 3.28Å; F326-Q328 PolarHBondContact O-N 3.21Å |
| 329 | Q | 87.8 | Confident | 88.2 | Confident | 163 Ų | 163 | 55.3 Ų | 55.3 | 76% | 0.762 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -5.8 | 174.9 | -61.8 | 172.8 | 17.8 | 0 | 0 | 112.6 | G325 F326 I327 | G325-Q329 WeakPolarHBondContact O-CG 3.33Å; G325-Q329 PolarHBondContact O-NE2 2.97Å; F326-Q329 WeakPolarHBondContact O-CB 3.26Å; F326-Q329 PolarHBondContact O-N 3.39Å; I327-Q329 PolarHBondContact O-N 2.77Å; I327-Q329 VanDerWaalsContact O-N 3.15Å |
| 330 | L | 86.9 | Confident | 87 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -82.3 | 149.7 | 175.1 | -60.6 | 174 | 0 | 0 | 0 | 110.5 | I298 I327 D332 G333 T336 M345 | I298-L330 HydrophobicContact CD1-CD1 3.35Å; I327-L330 WeakPolarHBondContact O-CB 3.25Å; I327-L330 PolarHBondContact O-N 3.05Å; I327-L330 VanDerWaalsContact O-N 3.11Å; L330-D332 VanDerWaalsContact C-N 3.3Å; L330-D332 PolarHBondContact O-N 2.93Å; L330-G333 PolarHBondContact O-N 3.34Å; L330-G333 VanDerWaalsContact O-N 3.14Å; L330-T336 HydrophobicContact CB-CG2 4.32Å; L330-T336 WeakPolarHBondContact CB-OG1 3.46Å; L330-T336 HydrophobicContact CD1-CG2 4.18Å; L330-M345 HydrophobicContact CD1-CE 4.34Å |
| 331 | P | 81.9 | Confident | 85.7 | Confident | 123 Ų | 123 | 60.7 Ų | 60.7 | 80% | 0.799 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -39.2 | -172.3 | -27.5 | 35.7 | 0 | 0 | 0 | 114.9 | ||
| 332 | D | 86.8 | Confident | 84.3 | Confident | 82 Ų | 82 | 60.7 Ų | 60.7 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 15.9 | -177.3 | -48 | -67.3 | 0 | 0 | 0 | 112 | L330 Y334 D335 T336 | L330-D332 VanDerWaalsContact C-N 3.3Å; L330-D332 PolarHBondContact O-N 2.93Å; D332-Y334 PolarHBondContact O-N 3.06Å; D332-D335 PolarHBondContact O-N 2.82Å; D332-T336 PolarHBondContact O-N 2.98Å |
| 333 | G | 90.1 | Very high | 83 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | 55.5 | -125 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | I327 L330 D335 T336 | I327-G333 WeakPolarHBondContact O-CA 3.36Å; L330-G333 PolarHBondContact O-N 3.34Å; L330-G333 VanDerWaalsContact O-N 3.14Å; G333-D335 VanDerWaalsContact C-N 3.29Å; G333-D335 PolarHBondContact O-N 2.92Å; G333-T336 PolarHBondContact N-OG1 3.28Å; G333-T336 WeakPolarHBondContact O-CB 3.37Å; G333-T336 PolarHBondContact O-N 2.99Å; G333-T336 PolarHBondContact O-OG1 2.75Å |
| 334 | Y | 92.1 | Very high | 82 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 8% | 0.075 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -69.1 | -22.2 | 176.8 | -80.3 | -84.5 | 0 | 0 | 0 | 114.3 | I298 S299 I302 I314 E315 A318 H324 I327 D332 T336 | I298-Y334 WeakPolarHBondContact CB-O 3.39Å; I298-Y334 HydrophobicContact CG2-CD1 4.39Å; I298-Y334 PolarHBondContact N-O 2.89Å; S299-Y334 PolarHBondContact N-O 2.94Å; I302-Y334 HydrophobicContact CD1-CE1 4.32Å; I314-Y334 HydrophobicContact CG2-CD1 4.1Å; I314-Y334 HydrophobicContact CG2-CE1 3.96Å; E315-Y334 HydrophobicContact CG-CE2 3.96Å; A318-Y334 HydrophobicContact CB-CE1 4.09Å; A318-Y334 WeakPolarHBondContact CB-OH 3.41Å; H324-Y334 AromaticContact ND1-CE2 3.79Å; H324-Y334 AromaticContact ND1-CZ 3.76Å; H324-Y334 PolarHBondContact ND1-OH 2.86Å; I327-Y334 HydrophobicContact CD1-CE1 3.95Å; I327-Y334 HydrophobicContact CG2-CD1 3.94Å; I327-Y334 HydrophobicContact CG2-CD2 3.89Å; I327-Y334 HydrophobicContact CG2-CE1 4.07Å; I327-Y334 HydrophobicContact CG2-CE2 4.01Å; I327-Y334 HydrophobicContact CG2-CG 3.85Å; D332-Y334 PolarHBondContact O-N 3.06Å; Y334-T336 VanDerWaalsContact C-N 3.29Å |
| 335 | D | 91.8 | Very high | 81.3 | Confident | 111 Ų | 111 | 65.8 Ų | 65.8 | 59% | 0.594 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -86.2 | -2.8 | 179.3 | -63.3 | -44.9 | 0 | 0 | 0 | 112.5 | T297 D332 G333 F337 | T297-D335 WeakPolarHBondContact CG2-O 3.22Å; D332-D335 PolarHBondContact O-N 2.82Å; G333-D335 VanDerWaalsContact C-N 3.29Å; G333-D335 PolarHBondContact O-N 2.92Å; D335-F337 PolarHBondContact O-N 3.45Å; D335-F337 VanDerWaalsContact O-N 3.16Å |
| 336 | T | 89.2 | Confident | 81 | Confident | 23 Ų | 23 | 66 Ų | 66 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | trans | -50.9 | 121.6 | 174.2 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | I298 L330 D332 G333 Y334 | I298-T336 PolarHBondContact N-O 3.03Å; L330-T336 HydrophobicContact CB-CG2 4.32Å; L330-T336 WeakPolarHBondContact CB-OG1 3.46Å; L330-T336 HydrophobicContact CD1-CG2 4.18Å; D332-T336 PolarHBondContact O-N 2.98Å; G333-T336 PolarHBondContact N-OG1 3.28Å; G333-T336 WeakPolarHBondContact O-CB 3.37Å; G333-T336 PolarHBondContact O-N 2.99Å; G333-T336 PolarHBondContact O-OG1 2.75Å; Y334-T336 VanDerWaalsContact C-N 3.29Å | ||
| 337 | F | 87.1 | Confident | 80.7 | Confident | 115 Ų | 115 | 66.1 Ų | 66.1 | 50% | 0.504 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.4 | -175.2 | -169.8 | -91 | 0 | 0 | 0 | 111.9 | E295 D335 | E295-F337 HydrophobicContact CG-CE1 3.91Å; E295-F337 HydrophobicContact CG-CZ 3.53Å; D335-F337 PolarHBondContact O-N 3.45Å; D335-F337 VanDerWaalsContact O-N 3.16Å |
| 338 | V | 84.5 | Confident | 80.3 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 4% | 0.036 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 114.8 | -179.6 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | L293 E295 G296 I298 G342 M345 | L293-V338 HydrophobicContact CB-CG1 3.97Å; L293-V338 HydrophobicContact CD1-CG1 3.93Å; E295-V338 WeakPolarHBondContact CA-O 3.12Å; G296-V338 PolarHBondContact N-O 3.45Å; G296-V338 PolarHBondContact O-N 3.36Å; I298-V338 HydrophobicContact CD1-CG2 4.49Å; I298-V338 HydrophobicContact CG1-CG2 3.58Å; V338-G342 VanDerWaalsContact CG1-CA 3.5Å; V338-M345 HydrophobicContact CG2-SD 4.29Å |
| 339 | G | 74.2 | Confident | 80.2 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 12% | 0.124 | 37% | 0.371 | C | S | . | . | trans | -74.4 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | R341 G342 | G339-R341 PolarHBondContact O-N 2.87Å; G339-G342 WeakPolarHBondContact O-CA 3.35Å; G339-G342 PolarHBondContact O-N 3.37Å | ||
| 340 | E | 68 | Low | 80.3 | Confident | 128 Ų | 128 | 57.3 Ų | 57.3 | 60% | 0.598 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -46.3 | 126.3 | 179.7 | -158.1 | -155.1 | 132.5 | 0 | 0 | 112 | G342 | E340-G342 PolarHBondContact O-N 2.92Å; E340-G342 VanDerWaalsContact O-N 3.08Å |
| 341 | R | 62.9 | Low | 80.3 | Confident | 158 Ų | 158 | 55.2 Ų | 55.2 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | 58.5 | 13.5 | -176.5 | -46.8 | -178.5 | -173.5 | -141.8 | -2.7 | 115.5 | L293 G339 K350 | L293-R341 PolarHBondContact O-N 3.5Å; G339-R341 PolarHBondContact O-N 2.87Å; R341-K350 PolarHBondContact O-NZ 3.28Å |
| 342 | G | 59.9 | Low | 80.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | 65.1 | 50.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V338 G339 E340 G344 M345 K350 | V338-G342 VanDerWaalsContact CG1-CA 3.5Å; G339-G342 WeakPolarHBondContact O-CA 3.35Å; G339-G342 PolarHBondContact O-N 3.37Å; E340-G342 PolarHBondContact O-N 2.92Å; E340-G342 VanDerWaalsContact O-N 3.08Å; G342-G344 PolarHBondContact O-N 3.27Å; G342-M345 PolarHBondContact O-N 3.43Å; G342-K350 WeakPolarHBondContact O-CE 3.37Å; G342-K350 PolarHBondContact O-NZ 2.87Å |
| 343 | G | 62.4 | Low | 80.9 | Confident | 67 Ų | 67 | 45.6 Ų | 45.6 | 69% | 0.691 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 125 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 344 | G | 69.1 | Low | 81 | Confident | 87 Ų | 87 | 44.8 Ų | 44.8 | 90% | 0.897 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.7 | -18.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G342 | G342-G344 PolarHBondContact O-N 3.27Š|
| 345 | M | 77.3 | Confident | 81 | Confident | 33 Ų | 33 | 44.1 Ų | 44.1 | 16% | 0.163 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -98.9 | 151.3 | -179.6 | -52.1 | -174.7 | 79.3 | 0 | 0 | 112.5 | L293 I298 F326 L330 V338 G342 Q349 K350 I353 | L293-M345 HydrophobicContact CD1-SD 4.21Å; I298-M345 HydrophobicContact CD1-CE 4.12Å; F326-M345 HydrophobicContact CE2-CE 3.76Å; F326-M345 HydrophobicContact CZ-CE 4.4Å; L330-M345 HydrophobicContact CD1-CE 4.34Å; V338-M345 HydrophobicContact CG2-SD 4.29Å; G342-M345 PolarHBondContact O-N 3.43Å; M345-Q349 HydrophobicContact CB-CB 4.42Å; M345-Q349 HydrophobicContact CE-CB 4.29Å; M345-K350 HydrophobicContact CB-CG 4.01Å; M345-K350 VanDerWaalsContact O-CE 3.29Å; M345-K350 WeakPolarHBondContact O-CE 3.34Å; M345-I353 HydrophobicContact CE-CD1 3.56Å; M345-I353 HydrophobicContact SD-CD1 4.24Å |
| 346 | S | 81.9 | Confident | 81 | Confident | 45 Ų | 45 | 38.8 Ų | 38.8 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | trans | -71.2 | 161.1 | 174.9 | 88.1 | 0 | 0 | 0 | 0 | 112.5 | G348 Q349 K350 | S346-G348 PolarHBondContact O-N 3.19Å; S346-Q349 PolarHBondContact O-N 3.27Å; S346-Q349 WeakPolarHBondContact OG-CG 3.45Å; S346-Q349 PolarHBondContact OG-N 2.91Å; S346-K350 WeakPolarHBondContact O-CG 3.4Å; S346-K350 PolarHBondContact O-N 2.86Å; S346-K350 VanDerWaalsContact O-N 3.12Å | ||
| 347 | G | 81 | Confident | 81.3 | Confident | 31 Ų | 31 | 37.9 Ų | 37.9 | 32% | 0.32 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -54.7 | -49.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q349 K350 Q351 | G347-Q349 PolarHBondContact O-N 2.79Å; G347-K350 PolarHBondContact O-N 3.16Å; G347-Q351 WeakPolarHBondContact O-CG 3.34Å; G347-Q351 PolarHBondContact O-N 3.07Å |
| 348 | G | 82.8 | Confident | 81.5 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S346 K350 Q351 C352 L375 | S346-G348 PolarHBondContact O-N 3.19Å; G348-K350 PolarHBondContact O-N 3.36Å; G348-Q351 PolarHBondContact O-N 2.93Å; G348-C352 PolarHBondContact O-N 2.87Å; G348-C352 PolarHBondContact O-SG 2.94Å; G348-L375 VanDerWaalsContact N-CD2 3.26Å |
| 349 | Q | 87.3 | Confident | 81.9 | Confident | 56 Ų | 56 | 32.6 Ų | 32.6 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 177.2 | -73 | 172.8 | -28.8 | 0 | 0 | 111.9 | F326 M345 S346 G347 C352 I353 | F326-Q349 HydrophobicContact CD1-CG 4.14Å; F326-Q349 HydrophobicContact CD2-CB 4.42Å; F326-Q349 HydrophobicContact CD2-CG 3.88Å; F326-Q349 HydrophobicContact CE1-CB 4.09Å; F326-Q349 HydrophobicContact CE1-CG 3.99Å; F326-Q349 HydrophobicContact CE2-CB 3.79Å; F326-Q349 HydrophobicContact CE2-CG 3.77Å; F326-Q349 HydrophobicContact CG-CG 4.1Å; F326-Q349 HydrophobicContact CZ-CB 3.6Å; F326-Q349 HydrophobicContact CZ-CG 3.82Å; F326-Q349 WeakPolarHBondContact CZ-O 3.3Å; M345-Q349 HydrophobicContact CB-CB 4.42Å; M345-Q349 HydrophobicContact CE-CB 4.29Å; S346-Q349 PolarHBondContact O-N 3.27Å; S346-Q349 WeakPolarHBondContact OG-CG 3.45Å; S346-Q349 PolarHBondContact OG-N 2.91Å; G347-Q349 PolarHBondContact O-N 2.79Å; Q349-C352 PolarHBondContact O-N 2.78Å; Q349-I353 WeakPolarHBondContact O-CG1 3.33Å; Q349-I353 PolarHBondContact O-N 3.07Å; Q349-I353 VanDerWaalsContact O-N 3.13Å |
| 350 | K | 89 | Confident | 82.9 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 17% | 0.17 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 176.7 | -63.6 | 178 | -169.7 | -167.5 | 0 | 112.1 | P291 L293 R341 G342 M345 S346 G347 G348 I353 A354 | P291-K350 HydrophobicContact CB-CB 3.87Å; P291-K350 HydrophobicContact CG-CB 3.4Å; P291-K350 VanDerWaalsContact CG-CB 3.4Å; P291-K350 HydrophobicContact CG-CD 4.33Å; L293-K350 HydrophobicContact CD1-CB 4.22Å; L293-K350 HydrophobicContact CD1-CG 3.91Å; R341-K350 PolarHBondContact O-NZ 3.28Å; G342-K350 WeakPolarHBondContact O-CE 3.37Å; G342-K350 PolarHBondContact O-NZ 2.87Å; M345-K350 HydrophobicContact CB-CG 4.01Å; M345-K350 VanDerWaalsContact O-CE 3.29Å; M345-K350 WeakPolarHBondContact O-CE 3.34Å; S346-K350 WeakPolarHBondContact O-CG 3.4Å; S346-K350 PolarHBondContact O-N 2.86Å; S346-K350 VanDerWaalsContact O-N 3.12Å; G347-K350 PolarHBondContact O-N 3.16Å; G348-K350 PolarHBondContact O-N 3.36Å; K350-I353 PolarHBondContact O-N 2.58Å; K350-A354 PolarHBondContact O-N 2.75Å |
| 351 | Q | 87.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.4 | -38 | 177.8 | -71 | -172.6 | -18.3 | 0 | 0 | 112.7 | P291 G347 G348 I353 A354 I355 A371 S374 L375 F383 | P291-Q351 HydrophobicContact CB-CG 3.95Å; P291-Q351 HydrophobicContact CG-CG 3.62Å; G347-Q351 WeakPolarHBondContact O-CG 3.34Å; G347-Q351 PolarHBondContact O-N 3.07Å; G348-Q351 PolarHBondContact O-N 2.93Å; Q351-I353 VanDerWaalsContact C-N 3.3Å; Q351-I353 PolarHBondContact O-N 3.27Å; Q351-A354 CarbonylContact O-C 3.54Å; Q351-A354 WeakPolarHBondContact O-CB 3.23Å; Q351-A354 PolarHBondContact O-N 3.16Å; Q351-A354 VanDerWaalsContact O-N 3.11Å; Q351-I355 WeakPolarHBondContact O-CG1 3.15Å; Q351-I355 PolarHBondContact O-N 3.46Å; Q351-A371 PolarHBondContact NE2-O 3.42Å; Q351-A371 PolarHBondContact OE1-O 2.91Å; Q351-S374 PolarHBondContact NE2-OG 3.47Å; Q351-L375 VanDerWaalsContact OE1-CD1 3.25Å; Q351-L375 VanDerWaalsContact OE1-CD2 3.29Å; Q351-L375 VanDerWaalsContact OE1-CG 3.3Å; Q351-F383 HydrophobicContact CB-CD2 3.87Å; Q351-F383 HydrophobicContact CB-CE2 3.88Å |
| 352 | C | 89.5 | Confident | 85.1 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.02 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.1 | -37.7 | 172.5 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | A321 A323 F326 G348 Q349 I355 A356 | A321-C352 WeakPolarHBondContact CB-O 3.26Å; A321-C352 WeakPolarHBondContact O-CB 3.39Å; A323-C352 HydrophobicContact CB-CB 3.98Å; F326-C352 HydrophobicContact CE1-CB 4.03Å; G348-C352 PolarHBondContact O-N 2.87Å; G348-C352 PolarHBondContact O-SG 2.94Å; Q349-C352 PolarHBondContact O-N 2.78Å; C352-I355 PolarHBondContact O-N 3.45Å; C352-A356 PolarHBondContact O-N 3.22Å |
| 353 | I | 91.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.7 | -37.5 | 172.3 | -67.1 | 166.2 | 0 | 0 | 0 | 111.3 | L293 I298 N301 I302 F326 M345 Q349 K350 Q351 A356 R357 | L293-I353 HydrophobicContact CD1-CD1 4.4Å; L293-I353 HydrophobicContact CD2-CB 4.23Å; L293-I353 HydrophobicContact CD2-CG2 3.62Å; I298-I353 HydrophobicContact CD1-CD1 4.38Å; I298-I353 HydrophobicContact CG1-CD1 4.4Å; I298-I353 HydrophobicContact CG2-CD1 4.09Å; I298-I353 HydrophobicContact CG2-CG1 4.4Å; N301-I353 HydrophobicContact CB-CG2 4.36Å; I302-I353 HydrophobicContact CG1-CG2 4.14Å; F326-I353 HydrophobicContact CE2-CD1 4.37Å; F326-I353 HydrophobicContact CZ-CD1 4.03Å; F326-I353 HydrophobicContact CZ-CG1 4.09Å; M345-I353 HydrophobicContact CE-CD1 3.56Å; M345-I353 HydrophobicContact SD-CD1 4.24Å; Q349-I353 WeakPolarHBondContact O-CG1 3.33Å; Q349-I353 PolarHBondContact O-N 3.07Å; Q349-I353 VanDerWaalsContact O-N 3.13Å; K350-I353 PolarHBondContact O-N 2.58Å; Q351-I353 VanDerWaalsContact C-N 3.3Å; Q351-I353 PolarHBondContact O-N 3.27Å; I353-A356 PolarHBondContact O-N 3.3Å; I353-R357 WeakPolarHBondContact O-CB 3.49Å; I353-R357 PolarHBondContact O-N 2.84Å |
| 354 | A | 91.3 | Very high | 88 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66 | -37.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V287 P291 K350 Q351 R357 A358 | V287-A354 HydrophobicContact CG1-CB 4.35Å; P291-A354 HydrophobicContact CB-CB 3.99Å; K350-A354 PolarHBondContact O-N 2.75Å; Q351-A354 CarbonylContact O-C 3.54Å; Q351-A354 WeakPolarHBondContact O-CB 3.23Å; Q351-A354 PolarHBondContact O-N 3.16Å; Q351-A354 VanDerWaalsContact O-N 3.11Å; A354-R357 PolarHBondContact O-N 2.87Å; A354-A358 PolarHBondContact O-N 3.44Å |
| 355 | I | 91.6 | Very high | 89.1 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.5 | -47.1 | 170.1 | -67.6 | 164 | 0 | 0 | 0 | 109.9 | V287 A321 Q351 C352 R357 A358 L359 F383 A386 A390 | V287-I355 HydrophobicContact CG2-CG1 3.99Å; A321-I355 HydrophobicContact CB-CB 3.96Å; A321-I355 HydrophobicContact CB-CG2 3.65Å; Q351-I355 WeakPolarHBondContact O-CG1 3.15Å; Q351-I355 PolarHBondContact O-N 3.46Å; C352-I355 PolarHBondContact O-N 3.45Å; I355-R357 VanDerWaalsContact C-N 3.31Å; I355-R357 PolarHBondContact O-N 2.89Å; I355-A358 CarbonylContact O-C 3.6Å; I355-A358 WeakPolarHBondContact O-CB 3.43Å; I355-A358 PolarHBondContact O-N 3.36Å; I355-L359 HydrophobicContact CG2-CD1 3.62Å; I355-L359 HydrophobicContact CG2-CG 3.9Å; I355-L359 WeakPolarHBondContact O-CB 3.24Å; I355-L359 WeakPolarHBondContact O-CG 3.42Å; I355-L359 PolarHBondContact O-N 3.37Å; I355-F383 HydrophobicContact CD1-CD2 3.69Å; I355-F383 HydrophobicContact CD1-CE2 3.39Å; I355-F383 HydrophobicContact CD1-CZ 4.05Å; I355-F383 HydrophobicContact CG1-CE2 4.18Å; I355-A386 HydrophobicContact CD1-CB 4.15Å; I355-A390 HydrophobicContact CG2-CB 4.32Å |
| 356 | A | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.9 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I302 A317 A321 C352 I353 A358 L359 I360 | I302-A356 HydrophobicContact CD1-CB 4.03Å; I302-A356 HydrophobicContact CG1-CB 4.07Å; I302-A356 HydrophobicContact CG2-CB 4.24Å; A317-A356 HydrophobicContact CB-CB 4.38Å; A321-A356 HydrophobicContact CB-CB 3.82Å; C352-A356 PolarHBondContact O-N 3.22Å; I353-A356 PolarHBondContact O-N 3.3Å; A356-A358 VanDerWaalsContact C-N 3.29Å; A356-A358 PolarHBondContact O-N 3.08Å; A356-L359 PolarHBondContact O-N 3.18Å; A356-I360 PolarHBondContact O-N 3.18Å |
| 357 | R | 93.7 | Very high | 90.5 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.015 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -32.4 | 174.2 | -173 | 175.7 | 62.4 | -148.4 | -0.8 | 113 | V292 N301 G305 I353 A354 I355 I360 F733 | V292-R357 VanDerWaalsContact O-CZ 3.31Å; V292-R357 PolarHBondContact O-NH1 2.68Å; V292-R357 PolarHBondContact O-NH2 2.97Å; N301-R357 WeakPolarHBondContact O-CD 3.32Å; G305-R357 WeakPolarHBondContact CA-O 3.11Å; I353-R357 WeakPolarHBondContact O-CB 3.49Å; I353-R357 PolarHBondContact O-N 2.84Å; A354-R357 PolarHBondContact O-N 2.87Å; I355-R357 VanDerWaalsContact C-N 3.31Å; I355-R357 PolarHBondContact O-N 2.89Å; R357-I360 WeakPolarHBondContact O-CG2 3.33Å; R357-F733 HydrophobicContact CG-CD1 4.32Å; R357-F733 HydrophobicContact CG-CE1 3.87Å; R357-F733 HydrophobicContact CG-CZ 4Å; R357-F733 WeakPolarHBondContact O-CE1 3.28Å |
| 358 | A | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -76.6 | -42.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V287 A354 I355 A356 P363 L366 F733 | V287-A358 HydrophobicContact CG2-CB 4.19Å; A354-A358 PolarHBondContact O-N 3.44Å; I355-A358 CarbonylContact O-C 3.6Å; I355-A358 WeakPolarHBondContact O-CB 3.43Å; I355-A358 PolarHBondContact O-N 3.36Å; A356-A358 VanDerWaalsContact C-N 3.29Å; A356-A358 PolarHBondContact O-N 3.08Å; A358-P363 WeakPolarHBondContact O-CD 3.42Å; A358-L366 HydrophobicContact CB-CD1 4.43Å; A358-F733 HydrophobicContact CB-CZ 4.45Å |
| 359 | L | 92.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 19.8 Ų | 19.8 | 5% | 0.047 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -73 | -27.8 | -175.2 | -73.7 | -177.5 | 0 | 0 | 0 | 114.1 | L320 I355 A356 R361 K362 A390 | L320-L359 HydrophobicContact CB-CD1 3.82Å; I355-L359 HydrophobicContact CG2-CD1 3.62Å; I355-L359 HydrophobicContact CG2-CG 3.9Å; I355-L359 WeakPolarHBondContact O-CB 3.24Å; I355-L359 WeakPolarHBondContact O-CG 3.42Å; I355-L359 PolarHBondContact O-N 3.37Å; A356-L359 PolarHBondContact O-N 3.18Å; L359-R361 PolarHBondContact O-N 3.01Å; L359-R361 VanDerWaalsContact O-N 3.13Å; L359-K362 WeakPolarHBondContact O-CA 3.38Å; L359-K362 PolarHBondContact O-N 3.29Å; L359-A390 HydrophobicContact CD1-CB 4.08Å; L359-A390 HydrophobicContact CD2-CB 4.02Å; L359-A390 HydrophobicContact CG-CB 4.44Å |
| 360 | I | 93.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 3% | 0.031 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -19.4 | 179.9 | -159 | 165 | 0 | 0 | 0 | 113.4 | I302 K306 A309 E313 I314 A317 A356 R357 K362 | I302-I360 HydrophobicContact CG2-CD1 3.87Å; K306-I360 HydrophobicContact CB-CG1 4.22Å; K306-I360 HydrophobicContact CB-CG2 3.97Å; A309-I360 HydrophobicContact CB-CD1 3.55Å; A309-I360 HydrophobicContact CB-CG1 4.16Å; E313-I360 HydrophobicContact CB-CD1 4.37Å; E313-I360 HydrophobicContact CB-CG1 4.4Å; I314-I360 HydrophobicContact CB-CD1 4.49Å; I314-I360 HydrophobicContact CG1-CD1 3.73Å; A317-I360 HydrophobicContact CB-CB 3.9Å; A317-I360 HydrophobicContact CB-CD1 4.43Å; A317-I360 HydrophobicContact CB-CG1 4.23Å; A356-I360 PolarHBondContact O-N 3.18Å; R357-I360 WeakPolarHBondContact O-CG2 3.33Å; I360-K362 PolarHBondContact O-N 2.91Å |
| 361 | R | 89 | Confident | 90.6 | Very high | 43 Ų | 43 | 17 Ų | 17 | 16% | 0.162 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.4 | 169.4 | -66.9 | -169.6 | 169.5 | -145.2 | -21.1 | 114.1 | R281 N282 G305 L359 P363 F733 | R281-R361 PolarHBondContact O-NH1 3.42Å; R281-R361 VanDerWaalsContact O-NH1 3.11Å; N282-R361 PolarHBondContact OD1-NH1 3.44Å; N282-R361 VanDerWaalsContact OD1-NH1 3.14Å; G305-R361 WeakPolarHBondContact O-CG 3.48Å; G305-R361 PolarHBondContact O-NE 3.24Å; G305-R361 PolarHBondContact O-NH2 3.24Å; L359-R361 PolarHBondContact O-N 3.01Å; L359-R361 VanDerWaalsContact O-N 3.13Å; R361-P363 VanDerWaalsContact C-N 3.35Å; R361-F733 PolarHBondContact NH2-O 2.99Å |
| 362 | K | 90 | Very high | 90.1 | Very high | 126 Ų | 126 | 17.3 Ų | 17.3 | 55% | 0.548 | 8% | 0.079 | S | C | . | . | trans | 48.8 | 52 | -166.6 | -65.3 | 168.6 | 178.9 | 167.4 | 0 | 111 | E313 E316 L359 I360 | E313-K362 IonicContact OE1-NZ 2.93Å; E316-K362 IonicContact OE2-NZ 3.91Å; L359-K362 WeakPolarHBondContact O-CA 3.38Å; L359-K362 PolarHBondContact O-N 3.29Å; I360-K362 PolarHBondContact O-N 2.91Å | ||
| 363 | P | 91.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.013 | 9% | 0.093 | C | C | . | . | trans | -67.8 | 150.5 | -167.1 | 30.6 | -37.1 | 0 | 0 | 0 | 112.8 | Q283 G285 A358 R361 R394 | Q283-P363 WeakPolarHBondContact O-CA 3.43Å; Q283-P363 WeakPolarHBondContact O-CB 3.43Å; G285-P363 VanDerWaalsContact N-CB 3.26Å; A358-P363 WeakPolarHBondContact O-CD 3.42Å; R361-P363 VanDerWaalsContact C-N 3.35Å; P363-R394 VanDerWaalsContact O-CD 3.24Å; P363-R394 WeakPolarHBondContact O-CD 3.44Å; P363-R394 WeakPolarHBondContact O-CG 3.34Å; P363-R394 PolarHBondContact O-NE 2.82Å | ||
| 364 | K | 90.8 | Very high | 88 | Confident | 97 Ų | 97 | 22.4 Ų | 22.4 | 42% | 0.422 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -84.7 | -34.9 | 174.9 | -73.4 | -74 | -171 | 175.1 | 0 | 112.6 | F202 Q283 T395 | F202-K364 HydrophobicContact CD1-CB 3.53Å; F202-K364 HydrophobicContact CD1-CG 3.98Å; F202-K364 HydrophobicContact CE1-CB 3.6Å; F202-K364 WeakPolarHBondContact O-CD 3.29Å; F202-K364 WeakPolarHBondContact O-CE 3.45Å; Q283-K364 PolarHBondContact O-N 2.85Å; K364-T395 PolarHBondContact O-N 3.11Å |
| 365 | L | 92.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.5 | 178 | 178.1 | 60.9 | 0 | 0 | 0 | 109.2 | F202 V206 Q283 I284 G285 L367 T395 V397 | F202-L365 HydrophobicContact CE1-CB 4Å; F202-L365 HydrophobicContact CZ-CB 4.05Å; F202-L365 HydrophobicContact CZ-CD2 4.4Å; V206-L365 HydrophobicContact CG2-CD2 4.38Å; Q283-L365 PolarHBondContact O-N 3.05Å; I284-L365 WeakPolarHBondContact CA-O 3.39Å; I284-L365 HydrophobicContact CG1-CD2 4.42Å; G285-L365 PolarHBondContact N-O 3.09Å; L365-L367 HydrophobicContact CD1-CD2 4.03Å; L365-L367 HydrophobicContact CD2-CD2 4.17Å; L365-L367 HydrophobicContact CG-CD2 3.87Å; L365-L367 HydrophobicContact CG-CG 4.44Å; L365-T395 WeakPolarHBondContact CA-O 3.31Å; L365-T395 HydrophobicContact CD1-CG2 3.78Å; L365-V397 HydrophobicContact CD1-CG2 4.16Å |
| 366 | L | 93.2 | Very high | 86.2 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.5 | 178.2 | -175.1 | 64.3 | 0 | 0 | 0 | 110.1 | A358 L368 A390 T395 V396 V397 | A358-L366 HydrophobicContact CB-CD1 4.43Å; L366-L368 HydrophobicContact CD1-CD2 4.37Å; L366-L368 HydrophobicContact CD2-CD1 4.22Å; L366-L368 HydrophobicContact CD2-CD2 4.31Å; L366-L368 HydrophobicContact CD2-CG 4.44Å; L366-L368 HydrophobicContact CG-CD1 4.38Å; L366-L368 HydrophobicContact CG-CD2 4.1Å; L366-L368 HydrophobicContact CG-CG 4.13Å; L366-A390 HydrophobicContact CD2-CB 4.05Å; L366-T395 PolarHBondContact N-O 3.34Å; L366-V396 HydrophobicContact CB-CG1 4.34Å; L366-V396 HydrophobicContact CB-CG2 4.26Å; L366-V396 HydrophobicContact CD2-CG1 4.46Å; L366-V396 WeakPolarHBondContact O-CA 3.5Å; L366-V397 PolarHBondContact O-N 3.14Å |
| 367 | L | 93.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.5 | -179.5 | -52.7 | -178.4 | 0 | 0 | 0 | 109.7 | I251 L254 Q255 I284 G285 C286 V287 L365 V397 | I251-L367 HydrophobicContact CG2-CB 4.46Å; I251-L367 HydrophobicContact CG2-CD1 4.49Å; L254-L367 HydrophobicContact CB-CD1 3.87Å; L254-L367 HydrophobicContact CB-CD2 4.25Å; L254-L367 HydrophobicContact CD1-CD2 3.59Å; Q255-L367 HydrophobicContact CG-CD1 3.66Å; I284-L367 HydrophobicContact CG2-CD1 3.71Å; I284-L367 HydrophobicContact CG2-CG 3.93Å; G285-L367 PolarHBondContact O-N 2.67Å; C286-L367 WeakPolarHBondContact CA-O 3.33Å; V287-L367 PolarHBondContact N-O 3.37Å; L365-L367 HydrophobicContact CD1-CD2 4.03Å; L365-L367 HydrophobicContact CD2-CD2 4.17Å; L365-L367 HydrophobicContact CG-CD2 3.87Å; L365-L367 HydrophobicContact CG-CG 4.44Å; L367-V397 HydrophobicContact CD2-CB 3.87Å; L367-V397 HydrophobicContact CD2-CG2 4.14Å |
| 368 | L | 91.3 | Very high | 84 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 102.4 | -172.9 | -60.2 | 168.3 | 0 | 0 | 0 | 108.7 | V287 L366 L387 V396 V397 V398 V399 | V287-L368 HydrophobicContact CB-CD2 3.79Å; V287-L368 HydrophobicContact CG2-CD2 3.7Å; L366-L368 HydrophobicContact CD1-CD2 4.37Å; L366-L368 HydrophobicContact CD2-CD1 4.22Å; L366-L368 HydrophobicContact CD2-CD2 4.31Å; L366-L368 HydrophobicContact CD2-CG 4.44Å; L366-L368 HydrophobicContact CG-CD1 4.38Å; L366-L368 HydrophobicContact CG-CD2 4.1Å; L366-L368 HydrophobicContact CG-CG 4.13Å; L368-L387 HydrophobicContact CD1-CD1 3.62Å; L368-L387 HydrophobicContact CD1-CD2 4.5Å; L368-L387 HydrophobicContact CD1-CG 4.24Å; L368-L387 HydrophobicContact CD2-CD1 3.96Å; L368-L387 HydrophobicContact CG-CD1 4.4Å; L368-V396 HydrophobicContact CD1-CG1 3.67Å; L368-V396 HydrophobicContact CG-CG1 4.47Å; L368-V397 PolarHBondContact N-O 3.37Å; L368-V398 HydrophobicContact CB-CG1 4.45Å; L368-V398 HydrophobicContact CD1-CG2 4.03Å; L368-V399 PolarHBondContact O-N 2.96Å |
| 369 | D | 90.2 | Very high | 83.1 | Confident | 18 Ų | 18 | 38.3 Ų | 38.3 | 10% | 0.096 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 101.9 | -171.3 | -162.4 | 19.7 | 0 | 0 | 0 | 111.9 | S248 I251 V287 Q289 A371 | S248-D369 WeakPolarHBondContact CB-OD1 3.34Å; S248-D369 WeakPolarHBondContact CB-OD2 3.48Å; S248-D369 PolarHBondContact OG-OD1 3.32Å; S248-D369 PolarHBondContact OG-OD2 3.19Å; I251-D369 HydrophobicContact CD1-CB 3.72Å; I251-D369 HydrophobicContact CG2-CB 4.3Å; V287-D369 PolarHBondContact O-N 2.9Å; Q289-D369 VanDerWaalsContact CA-O 3.29Å; Q289-D369 WeakPolarHBondContact CA-O 3.44Å; Q289-D369 WeakPolarHBondContact CB-O 3.37Å; Q289-D369 PolarHBondContact N-O 3.12Å; D369-A371 PolarHBondContact O-N 3.37Å |
| 370 | E | 85 | Confident | 82.2 | Confident | 29 Ų | 29 | 39.6 Ų | 39.6 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 47.1 | 32.9 | -177 | -64.4 | -164.5 | 169.6 | 0 | 0 | 114.1 | K247 Q289 T372 S373 V399 | K247-E370 WeakPolarHBondContact CE-OE1 3.4Å; K247-E370 IonicContact NZ-OE1 3.86Å; K247-E370 PolarHBondContact NZ-OE1 3.14Å; Q289-E370 HydrophobicContact CB-CB 4.47Å; Q289-E370 HydrophobicContact CG-CB 4.27Å; Q289-E370 VanDerWaalsContact NE2-CB 3.27Å; Q289-E370 PolarHBondContact NE2-OE2 2.91Å; E370-T372 PolarHBondContact O-N 3.02Å; E370-S373 WeakPolarHBondContact O-CB 3.29Å; E370-S373 PolarHBondContact O-N 3.11Å; E370-S373 PolarHBondContact O-OG 2.87Å; E370-S373 VanDerWaalsContact O-OG 3.06Å; E370-V399 VanDerWaalsContact CA-O 3.26Å; E370-V399 WeakPolarHBondContact CA-O 3.12Å; E370-V399 HydrophobicContact CG-CB 4.41Å; E370-V399 HydrophobicContact CG-CG1 3.59Å; E370-V399 PolarHBondContact N-O 3.05Å |
| 371 | A | 77.2 | Confident | 81.4 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9.2 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116 | V287 Q351 D369 F383 | V287-A371 HydrophobicContact CG1-CB 4.22Å; Q351-A371 PolarHBondContact NE2-O 3.42Å; Q351-A371 PolarHBondContact OE1-O 2.91Å; D369-A371 PolarHBondContact O-N 3.37Å; A371-F383 HydrophobicContact CB-CE1 4.36Å; A371-F383 HydrophobicContact CB-CE2 4.39Å; A371-F383 HydrophobicContact CB-CZ 3.63Å |
| 372 | T | 77.8 | Confident | 80.8 | Confident | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -5.8 | 170.8 | 57 | 0 | 0 | 0 | 0 | 114.7 | E370 S374 L375 E380 F383 T405 | E370-T372 PolarHBondContact O-N 3.02Å; T372-S374 VanDerWaalsContact C-N 3.26Å; T372-S374 PolarHBondContact O-N 3.36Å; T372-S374 VanDerWaalsContact O-N 3.15Å; T372-L375 PolarHBondContact O-N 3.05Å; T372-E380 HydrophobicContact CG2-CG 4.3Å; T372-F383 HydrophobicContact CG2-CD1 3.62Å; T372-F383 HydrophobicContact CG2-CE1 3.56Å; T372-T405 HydrophobicContact CG2-CG2 4.09Å |
| 373 | S | 70.7 | Confident | 80.2 | Confident | 45 Ų | 45 | 42 Ų | 42 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.3 | -167.5 | 70.7 | 0 | 0 | 0 | 0 | 115.1 | Q289 E370 | Q289-S373 WeakPolarHBondContact CG-OG 3.22Å; Q289-S373 PolarHBondContact NE2-OG 3.31Å; E370-S373 WeakPolarHBondContact O-CB 3.29Å; E370-S373 PolarHBondContact O-N 3.11Å; E370-S373 PolarHBondContact O-OG 2.87Å; E370-S373 VanDerWaalsContact O-OG 3.06Å |
| 374 | S | 66.3 | Low | 79.6 | Confident | 66 Ų | 66 | 43.8 Ų | 43.8 | 46% | 0.462 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 12.5 | -177.6 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | Q289 Q351 T372 | Q289-S374 PolarHBondContact O-OG 3.27Å; Q351-S374 PolarHBondContact NE2-OG 3.47Å; T372-S374 VanDerWaalsContact C-N 3.26Å; T372-S374 PolarHBondContact O-N 3.36Å; T372-S374 VanDerWaalsContact O-N 3.15Å |
| 375 | L | 72.4 | Confident | 79.1 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | trans | -101.3 | 139.9 | -177.2 | -64.1 | -168.2 | 0 | 0 | 0 | 114.5 | G348 Q351 T372 E380 F383 R402 | G348-L375 VanDerWaalsContact N-CD2 3.26Å; Q351-L375 VanDerWaalsContact OE1-CD1 3.25Å; Q351-L375 VanDerWaalsContact OE1-CD2 3.29Å; Q351-L375 VanDerWaalsContact OE1-CG 3.3Å; T372-L375 PolarHBondContact O-N 3.05Å; L375-E380 HydrophobicContact CB-CB 4.2Å; L375-E380 HydrophobicContact CD1-CB 4.28Å; L375-F383 HydrophobicContact CD1-CB 3.59Å; L375-F383 HydrophobicContact CD1-CD1 4.37Å; L375-F383 HydrophobicContact CD1-CD2 4.23Å; L375-F383 HydrophobicContact CD1-CG 3.82Å; L375-R402 PolarHBondContact O-NH1 3.38Å | ||
| 376 | D | 72.7 | Confident | 78.4 | Confident | 85 Ų | 85 | 44.1 Ų | 44.1 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | trans | -66.3 | 150.5 | 158.1 | 67.7 | -84.5 | 0 | 0 | 0 | 110.9 | K378 S379 E380 | D376-K378 PolarHBondContact O-N 3.02Å; D376-K378 VanDerWaalsContact O-N 3.08Å; D376-K378 WeakPolarHBondContact OD2-CB 3.48Å; D376-K378 PolarHBondContact OD2-N 3.44Å; D376-S379 PolarHBondContact O-N 3.1Å; D376-S379 VanDerWaalsContact O-N 3.1Å; D376-S379 WeakPolarHBondContact OD1-CB 3.38Å; D376-S379 PolarHBondContact OD1-OG 2.93Å; D376-S379 PolarHBondContact OD2-N 3.02Å; D376-S379 PolarHBondContact OD2-OG 3.04Å; D376-E380 PolarHBondContact O-N 3.05Å | ||
| 377 | A | 69.9 | Low | 77.9 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 50% | 0.504 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.1 | -25.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | R381 | A377-R381 WeakPolarHBondContact O-CG 3.39Å; A377-R381 PolarHBondContact O-N 2.81Å |
| 378 | K | 71.4 | Confident | 77.3 | Confident | 171 Ų | 171 | 47.6 Ų | 47.6 | 74% | 0.743 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -76.9 | -45.2 | 176.5 | -174.5 | 174 | -178.1 | 170.9 | 0 | 111.2 | D376 E380 V382 | D376-K378 PolarHBondContact O-N 3.02Å; D376-K378 VanDerWaalsContact O-N 3.08Å; D376-K378 WeakPolarHBondContact OD2-CB 3.48Å; D376-K378 PolarHBondContact OD2-N 3.44Å; K378-E380 VanDerWaalsContact C-N 3.29Å; K378-E380 PolarHBondContact O-N 3.35Å; K378-V382 PolarHBondContact O-N 3.25Å |
| 379 | S | 73.3 | Confident | 76.9 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 169.8 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | D376 V382 F383 | D376-S379 PolarHBondContact O-N 3.1Å; D376-S379 VanDerWaalsContact O-N 3.1Å; D376-S379 WeakPolarHBondContact OD1-CB 3.38Å; D376-S379 PolarHBondContact OD1-OG 2.93Å; D376-S379 PolarHBondContact OD2-N 3.02Å; D376-S379 PolarHBondContact OD2-OG 3.04Å; S379-V382 PolarHBondContact O-N 3.43Å; S379-F383 WeakPolarHBondContact O-CB 3.37Å; S379-F383 PolarHBondContact O-N 2.85Å |
| 380 | E | 74.9 | Confident | 76.6 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 179.2 | -178.1 | 175.5 | -127.5 | 0 | 0 | 112.2 | T372 L375 D376 K378 V382 F383 Q384 R402 | T372-E380 HydrophobicContact CG2-CG 4.3Å; L375-E380 HydrophobicContact CB-CB 4.2Å; L375-E380 HydrophobicContact CD1-CB 4.28Å; D376-E380 PolarHBondContact O-N 3.05Å; K378-E380 VanDerWaalsContact C-N 3.29Å; K378-E380 PolarHBondContact O-N 3.35Å; E380-V382 VanDerWaalsContact C-N 3.29Å; E380-V382 PolarHBondContact O-N 2.81Å; E380-F383 PolarHBondContact O-N 3.42Å; E380-Q384 WeakPolarHBondContact O-CB 3.26Å; E380-Q384 PolarHBondContact O-N 3.33Å; E380-R402 WeakPolarHBondContact OE1-CD 3.4Å; E380-R402 IonicContact OE1-CZ 3.33Å; E380-R402 IonicContact OE1-NE 2.75Å; E380-R402 IonicContact OE1-NH1 2.77Å; E380-R402 PolarHBondContact OE1-NH1 3.22Å; E380-R402 IonicContact OE2-CZ 3.48Å; E380-R402 IonicContact OE2-NH1 3.32Å; E380-R402 PolarHBondContact OE2-NH1 2.92Å |
| 381 | R | 76.2 | Confident | 76.6 | Confident | 165 Ų | 165 | 52.1 Ų | 52.1 | 62% | 0.623 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -57.6 | -42.4 | 174.7 | -71 | 176.5 | -175.5 | -176.9 | 1.9 | 111.5 | A377 M385 | A377-R381 WeakPolarHBondContact O-CG 3.39Å; A377-R381 PolarHBondContact O-N 2.81Å; R381-M385 WeakPolarHBondContact O-CG 3.28Å; R381-M385 PolarHBondContact O-N 3.3Å |
| 382 | V | 76.1 | Confident | 76.9 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 112 | N322 K378 S379 E380 A386 | N322-V382 PolarHBondContact ND2-O 3.46Å; K378-V382 PolarHBondContact O-N 3.25Å; S379-V382 PolarHBondContact O-N 3.43Å; E380-V382 VanDerWaalsContact C-N 3.29Å; E380-V382 PolarHBondContact O-N 2.81Å; V382-A386 PolarHBondContact O-N 3.31Å |
| 383 | F | 77.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 176.7 | 175.5 | -85.8 | 0 | 0 | 0 | 111.9 | Q351 I355 A371 T372 L375 S379 E380 M385 A386 L387 | Q351-F383 HydrophobicContact CB-CD2 3.87Å; Q351-F383 HydrophobicContact CB-CE2 3.88Å; I355-F383 HydrophobicContact CD1-CD2 3.69Å; I355-F383 HydrophobicContact CD1-CE2 3.39Å; I355-F383 HydrophobicContact CD1-CZ 4.05Å; I355-F383 HydrophobicContact CG1-CE2 4.18Å; A371-F383 HydrophobicContact CB-CE1 4.36Å; A371-F383 HydrophobicContact CB-CE2 4.39Å; A371-F383 HydrophobicContact CB-CZ 3.63Å; T372-F383 HydrophobicContact CG2-CD1 3.62Å; T372-F383 HydrophobicContact CG2-CE1 3.56Å; L375-F383 HydrophobicContact CD1-CB 3.59Å; L375-F383 HydrophobicContact CD1-CD1 4.37Å; L375-F383 HydrophobicContact CD1-CD2 4.23Å; L375-F383 HydrophobicContact CD1-CG 3.82Å; S379-F383 WeakPolarHBondContact O-CB 3.37Å; S379-F383 PolarHBondContact O-N 2.85Å; E380-F383 PolarHBondContact O-N 3.42Å; F383-M385 VanDerWaalsContact C-N 3.33Å; F383-M385 PolarHBondContact O-N 3.42Å; F383-A386 CarbonylContact O-C 3.59Å; F383-A386 WeakPolarHBondContact O-CA 3.43Å; F383-A386 WeakPolarHBondContact O-CB 3.39Å; F383-A386 PolarHBondContact O-N 2.96Å; F383-L387 HydrophobicContact CE1-CB 4.33Å; F383-L387 HydrophobicContact CE1-CD1 3.76Å; F383-L387 HydrophobicContact CE1-CD2 4.01Å; F383-L387 HydrophobicContact CE1-CG 4.26Å; F383-L387 HydrophobicContact CZ-CD1 3.79Å; F383-L387 WeakPolarHBondContact O-CB 3.33Å; F383-L387 PolarHBondContact O-N 3.13Å |
| 384 | Q | 78.6 | Confident | 78.1 | Confident | 40 Ų | 40 | 62.5 Ų | 62.5 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 178.9 | -171.5 | 65.2 | 45.7 | 0 | 0 | 111.1 | E380 A386 L387 D388 | E380-Q384 WeakPolarHBondContact O-CB 3.26Å; E380-Q384 PolarHBondContact O-N 3.33Å; Q384-A386 PolarHBondContact O-N 3.41Å; Q384-L387 WeakPolarHBondContact O-CA 3.31Å; Q384-L387 WeakPolarHBondContact O-CB 3.17Å; Q384-L387 PolarHBondContact O-N 3Å; Q384-D388 PolarHBondContact NE2-OD1 3.37Å; Q384-D388 VanDerWaalsContact O-CG 3.22Å; Q384-D388 PolarHBondContact O-N 2.96Å |
| 385 | M | 79.8 | Confident | 79.3 | Confident | 103 Ų | 103 | 59.4 Ų | 59.4 | 51% | 0.507 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -26.3 | 173.6 | -67.3 | 177.5 | 77 | 0 | 0 | 113.8 | R381 F383 R389 | R381-M385 WeakPolarHBondContact O-CG 3.28Å; R381-M385 PolarHBondContact O-N 3.3Å; F383-M385 VanDerWaalsContact C-N 3.33Å; F383-M385 PolarHBondContact O-N 3.42Å; M385-R389 WeakPolarHBondContact O-CD 3.08Å; M385-R389 WeakPolarHBondContact O-CG 3.4Å |
| 386 | A | 79.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -80.3 | -34.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A321 N322 I355 V382 F383 Q384 A390 | A321-A386 WeakPolarHBondContact O-CB 3.27Å; N322-A386 HydrophobicContact CB-CB 3.85Å; I355-A386 HydrophobicContact CD1-CB 4.15Å; V382-A386 PolarHBondContact O-N 3.31Å; F383-A386 CarbonylContact O-C 3.59Å; F383-A386 WeakPolarHBondContact O-CA 3.43Å; F383-A386 WeakPolarHBondContact O-CB 3.39Å; F383-A386 PolarHBondContact O-N 2.96Å; Q384-A386 PolarHBondContact O-N 3.41Å; A386-A390 VanDerWaalsContact O-CB 3.29Å; A386-A390 WeakPolarHBondContact O-CB 3.47Å; A386-A390 PolarHBondContact O-N 3.32Å |
| 387 | L | 81.5 | Confident | 81.3 | Confident | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68 | -46.4 | -179.8 | -155.9 | 72.2 | 0 | 0 | 0 | 111.9 | L368 F383 Q384 R389 A390 I391 | L368-L387 HydrophobicContact CD1-CD1 3.62Å; L368-L387 HydrophobicContact CD1-CD2 4.5Å; L368-L387 HydrophobicContact CD1-CG 4.24Å; L368-L387 HydrophobicContact CD2-CD1 3.96Å; L368-L387 HydrophobicContact CG-CD1 4.4Å; F383-L387 HydrophobicContact CE1-CB 4.33Å; F383-L387 HydrophobicContact CE1-CD1 3.76Å; F383-L387 HydrophobicContact CE1-CD2 4.01Å; F383-L387 HydrophobicContact CE1-CG 4.26Å; F383-L387 HydrophobicContact CZ-CD1 3.79Å; F383-L387 WeakPolarHBondContact O-CB 3.33Å; F383-L387 PolarHBondContact O-N 3.13Å; Q384-L387 WeakPolarHBondContact O-CA 3.31Å; Q384-L387 WeakPolarHBondContact O-CB 3.17Å; Q384-L387 PolarHBondContact O-N 3Å; L387-R389 VanDerWaalsContact C-N 3.3Å; L387-R389 PolarHBondContact O-N 3.27Å; L387-A390 CarbonylContact O-C 3.2Å; L387-A390 WeakPolarHBondContact O-CA 3.27Å; L387-A390 WeakPolarHBondContact O-CB 3.46Å; L387-A390 PolarHBondContact O-N 2.6Å; L387-I391 HydrophobicContact CG-CD1 4.2Å; L387-I391 WeakPolarHBondContact O-CD1 3.27Å; L387-I391 VanDerWaalsContact O-CG1 3.27Å; L387-I391 WeakPolarHBondContact O-CG1 3.5Å; L387-I391 PolarHBondContact O-N 3.08Å |
| 388 | D | 82.1 | Confident | 82.3 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 179.9 | -60.2 | -28.9 | 0 | 0 | 0 | 110.3 | Q384 A390 I391 | Q384-D388 PolarHBondContact NE2-OD1 3.37Å; Q384-D388 VanDerWaalsContact O-CG 3.22Å; Q384-D388 PolarHBondContact O-N 2.96Å; D388-A390 VanDerWaalsContact C-N 3.34Å; D388-A390 PolarHBondContact O-N 2.95Å; D388-I391 PolarHBondContact O-N 3.45Å |
| 389 | R | 83.2 | Confident | 83.3 | Confident | 105 Ų | 105 | 44.6 Ų | 44.6 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.2 | -32.2 | 172.5 | -64.8 | 175.4 | -178.1 | 168.1 | 3.5 | 113.6 | M385 L387 I391 | M385-R389 WeakPolarHBondContact O-CD 3.08Å; M385-R389 WeakPolarHBondContact O-CG 3.4Å; L387-R389 VanDerWaalsContact C-N 3.3Å; L387-R389 PolarHBondContact O-N 3.27Å; R389-I391 VanDerWaalsContact C-N 3.35Å |
| 390 | A | 83 | Confident | 83.7 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.2 | -23.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I355 L359 L366 A386 L387 D388 R394 | I355-A390 HydrophobicContact CG2-CB 4.32Å; L359-A390 HydrophobicContact CD1-CB 4.08Å; L359-A390 HydrophobicContact CD2-CB 4.02Å; L359-A390 HydrophobicContact CG-CB 4.44Å; L366-A390 HydrophobicContact CD2-CB 4.05Å; A386-A390 VanDerWaalsContact O-CB 3.29Å; A386-A390 WeakPolarHBondContact O-CB 3.47Å; A386-A390 PolarHBondContact O-N 3.32Å; L387-A390 CarbonylContact O-C 3.2Å; L387-A390 WeakPolarHBondContact O-CA 3.27Å; L387-A390 WeakPolarHBondContact O-CB 3.46Å; L387-A390 PolarHBondContact O-N 2.6Å; D388-A390 VanDerWaalsContact C-N 3.34Å; D388-A390 PolarHBondContact O-N 2.95Å; A390-R394 WeakPolarHBondContact O-CD 3.29Å; A390-R394 PolarHBondContact O-NH1 2.91Å |
| 391 | I | 85.3 | Confident | 83.8 | Confident | 39 Ų | 39 | 47 Ų | 47 | 20% | 0.2 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -76 | -36.7 | 178.6 | -71.4 | 160.2 | 0 | 0 | 0 | 111.7 | T236 L387 D388 R389 G393 R394 V396 | T236-I391 WeakPolarHBondContact OG1-CG2 3.32Å; L387-I391 HydrophobicContact CG-CD1 4.2Å; L387-I391 WeakPolarHBondContact O-CD1 3.27Å; L387-I391 VanDerWaalsContact O-CG1 3.27Å; L387-I391 WeakPolarHBondContact O-CG1 3.5Å; L387-I391 PolarHBondContact O-N 3.08Å; D388-I391 PolarHBondContact O-N 3.45Å; R389-I391 VanDerWaalsContact C-N 3.35Å; I391-G393 PolarHBondContact O-N 2.89Å; I391-G393 VanDerWaalsContact O-N 3.13Å; I391-R394 PolarHBondContact O-N 2.77Å; I391-V396 HydrophobicContact CB-CG2 4.28Å; I391-V396 HydrophobicContact CG1-CG1 4.27Å; I391-V396 HydrophobicContact CG1-CG2 4.12Å; I391-V396 HydrophobicContact CG2-CG2 4.07Å |
| 392 | E | 82.8 | Confident | 83.8 | Confident | 144 Ų | 144 | 41.7 Ų | 41.7 | 67% | 0.673 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 116.5 | -174.4 | -72.2 | -177.4 | -176.7 | 0 | 0 | 113.7 | R394 | E392-R394 PolarHBondContact O-NH1 2.81Š|
| 393 | G | 83.1 | Confident | 83.9 | Confident | 84 Ų | 84 | 39.2 Ų | 39.2 | 87% | 0.866 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 16.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | I391 | I391-G393 PolarHBondContact O-N 2.89Å; I391-G393 VanDerWaalsContact O-N 3.13Å |
| 394 | R | 90 | Very high | 84 | Confident | 48 Ų | 48 | 44.5 Ų | 44.5 | 18% | 0.181 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -127.4 | 155.4 | -177.1 | -59 | 177.9 | -170.5 | 71.7 | 20.5 | 111.7 | G234 P363 A390 I391 E392 V396 | G234-R394 CarbonylContact C-O 3.51Å; P363-R394 VanDerWaalsContact O-CD 3.24Å; P363-R394 WeakPolarHBondContact O-CD 3.44Å; P363-R394 WeakPolarHBondContact O-CG 3.34Å; P363-R394 PolarHBondContact O-NE 2.82Å; A390-R394 WeakPolarHBondContact O-CD 3.29Å; A390-R394 PolarHBondContact O-NH1 2.91Å; I391-R394 PolarHBondContact O-N 2.77Å; E392-R394 PolarHBondContact O-NH1 2.81Å; R394-V396 HydrophobicContact CB-CG2 4.21Å |
| 395 | T | 93.2 | Very high | 83.7 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 133.5 | 159.6 | -59.4 | 0 | 0 | 0 | 0 | 107.8 | G204 I231 K232 S233 G234 K364 L365 L366 | G204-T395 WeakPolarHBondContact O-CG2 3.29Å; G204-T395 PolarHBondContact O-OG1 2.9Å; G204-T395 VanDerWaalsContact O-OG1 3.11Å; I231-T395 HydrophobicContact CG2-CG2 3.41Å; I231-T395 VanDerWaalsContact CG2-CG2 3.41Å; K232-T395 PolarHBondContact O-OG1 2.89Å; S233-T395 WeakPolarHBondContact CA-OG1 3.45Å; G234-T395 PolarHBondContact N-OG1 3.34Å; K364-T395 PolarHBondContact O-N 3.11Å; L365-T395 WeakPolarHBondContact CA-O 3.31Å; L365-T395 HydrophobicContact CD1-CG2 3.78Å; L366-T395 PolarHBondContact N-O 3.34Å |
| 396 | V | 92.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.2 | -175.1 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | Q235 T236 V237 L366 L368 I391 R394 V398 | Q235-V396 PolarHBondContact O-N 3.12Å; T236-V396 WeakPolarHBondContact CA-O 3.4Å; T236-V396 HydrophobicContact CG2-CB 4.29Å; V237-V396 PolarHBondContact N-O 2.87Å; L366-V396 HydrophobicContact CB-CG1 4.34Å; L366-V396 HydrophobicContact CB-CG2 4.26Å; L366-V396 HydrophobicContact CD2-CG1 4.46Å; L366-V396 WeakPolarHBondContact O-CA 3.5Å; L368-V396 HydrophobicContact CD1-CG1 3.67Å; L368-V396 HydrophobicContact CG-CG1 4.47Å; I391-V396 HydrophobicContact CB-CG2 4.28Å; I391-V396 HydrophobicContact CG1-CG1 4.27Å; I391-V396 HydrophobicContact CG1-CG2 4.12Å; I391-V396 HydrophobicContact CG2-CG2 4.07Å; R394-V396 HydrophobicContact CB-CG2 4.21Å; V396-V398 HydrophobicContact CG1-CG2 3.83Å |
| 397 | V | 93.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 112.5 | 172.6 | -176.7 | 0 | 0 | 0 | 0 | 109 | I231 V237 L239 I251 L254 L365 L366 L367 L368 | I231-V397 HydrophobicContact CD1-CG2 3.84Å; V237-V397 WeakPolarHBondContact O-CA 3.09Å; L239-V397 HydrophobicContact CD1-CG1 3.89Å; L239-V397 HydrophobicContact CG-CG1 4.16Å; I251-V397 HydrophobicContact CG1-CG1 4.46Å; L254-V397 HydrophobicContact CD1-CB 4.2Å; L254-V397 HydrophobicContact CD1-CG1 4.07Å; L254-V397 HydrophobicContact CD1-CG2 3.95Å; L365-V397 HydrophobicContact CD1-CG2 4.16Å; L366-V397 PolarHBondContact O-N 3.14Å; L367-V397 HydrophobicContact CD2-CB 3.87Å; L367-V397 HydrophobicContact CD2-CG2 4.14Å; L368-V397 PolarHBondContact N-O 3.37Å |
| 398 | V | 91.7 | Very high | 84.2 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 117 | -177.3 | -168.7 | 0 | 0 | 0 | 0 | 109.5 | T236 V237 A238 L239 L368 V396 A400 | T236-V398 HydrophobicContact CG2-CG2 4.31Å; V237-V398 PolarHBondContact O-N 3.14Å; A238-V398 CarbonylContact C-O 3.51Å; A238-V398 WeakPolarHBondContact CA-O 3.34Å; L239-V398 PolarHBondContact N-O 3.11Å; L368-V398 HydrophobicContact CB-CG1 4.45Å; L368-V398 HydrophobicContact CD1-CG2 4.03Å; V396-V398 HydrophobicContact CG1-CG2 3.83Å; V398-A400 HydrophobicContact CG1-CB 4.34Å |
| 399 | V | 90.9 | Very high | 84.5 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121 | 159.1 | 178.2 | 0 | 0 | 0 | 0 | 107.3 | L239 K247 I251 L368 E370 | L239-V399 HydrophobicContact CB-CG2 4.07Å; L239-V399 HydrophobicContact CD1-CG2 3.97Å; L239-V399 HydrophobicContact CG-CG2 4.47Å; K247-V399 HydrophobicContact CB-CB 4.43Å; K247-V399 HydrophobicContact CB-CG1 3.48Å; K247-V399 VanDerWaalsContact CB-CG1 3.48Å; K247-V399 HydrophobicContact CB-CG2 4.02Å; K247-V399 HydrophobicContact CD-CG1 4.01Å; K247-V399 HydrophobicContact CG-CG1 4.36Å; I251-V399 HydrophobicContact CD1-CB 4.19Å; I251-V399 HydrophobicContact CD1-CG2 3.5Å; I251-V399 HydrophobicContact CG1-CG2 4.03Å; L368-V399 PolarHBondContact O-N 2.96Å; E370-V399 VanDerWaalsContact CA-O 3.26Å; E370-V399 WeakPolarHBondContact CA-O 3.12Å; E370-V399 HydrophobicContact CG-CB 4.41Å; E370-V399 HydrophobicContact CG-CG1 3.59Å; E370-V399 PolarHBondContact N-O 3.05Å |
| 400 | A | 82.1 | Confident | 84.9 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 7% | 0.066 | 25% | 0.254 | C | S | . | . | trans | -121.5 | 144.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L239 V398 V406 | L239-A400 PolarHBondContact O-N 3.35Å; V398-A400 HydrophobicContact CG1-CB 4.34Å; A400-V406 HydrophobicContact CB-CG1 3.36Å | ||
| 401 | H | 77.6 | Confident | 85.4 | Confident | 97 Ų | 97 | 50.5 Ų | 50.5 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -91 | -47.6 | 163.5 | -170.7 | -92.5 | 0 | 0 | 0 | 111.1 | Q443 | H401-Q443 PolarHBondContact O-NE2 3.18Š|
| 402 | R | 74.8 | Confident | 85.7 | Confident | 54 Ų | 54 | 48.7 Ų | 48.7 | 20% | 0.204 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -82.4 | 127.9 | 178.1 | -69.2 | 177.1 | 174.6 | 150.1 | 3.5 | 110.9 | L375 E380 K404 T405 | L375-R402 PolarHBondContact O-NH1 3.38Å; E380-R402 WeakPolarHBondContact OE1-CD 3.4Å; E380-R402 IonicContact OE1-CZ 3.33Å; E380-R402 IonicContact OE1-NE 2.75Å; E380-R402 IonicContact OE1-NH1 2.77Å; E380-R402 PolarHBondContact OE1-NH1 3.22Å; E380-R402 IonicContact OE2-CZ 3.48Å; E380-R402 IonicContact OE2-NH1 3.32Å; E380-R402 PolarHBondContact OE2-NH1 2.92Å; R402-K404 VanDerWaalsContact C-N 3.33Å; R402-K404 PolarHBondContact O-N 3.05Å; R402-T405 PolarHBondContact O-OG1 3.09Å; R402-T405 VanDerWaalsContact O-OG1 3.13Å |
| 403 | L | 79.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -74.8 | -20.2 | -175.6 | -69.5 | 170.6 | 0 | 0 | 0 | 113.9 | V240 T405 V406 Y436 M439 L440 Q443 | V240-L403 HydrophobicContact CG1-CD2 3.72Å; V240-L403 HydrophobicContact CG2-CD2 4.21Å; L403-T405 VanDerWaalsContact C-N 3.27Å; L403-T405 PolarHBondContact O-N 3.39Å; L403-V406 HydrophobicContact CD2-CG2 4.1Å; L403-V406 VanDerWaalsContact O-CG2 3.24Å; L403-V406 WeakPolarHBondContact O-CG2 3.31Å; L403-V406 PolarHBondContact O-N 3.27Å; L403-Y436 HydrophobicContact CD2-CD2 4.32Å; L403-Y436 HydrophobicContact CD2-CE2 3.67Å; L403-M439 HydrophobicContact CD1-CB 3.92Å; L403-L440 HydrophobicContact CB-CD1 4.07Å; L403-L440 HydrophobicContact CD1-CB 4Å; L403-L440 HydrophobicContact CD1-CD1 3.95Å; L403-Q443 HydrophobicContact CD1-CB 4.33Å; L403-Q443 HydrophobicContact CD1-CG 4.26Å; L403-Q443 VanDerWaalsContact CG-OE1 3.25Å |
| 404 | K | 77.9 | Confident | 86.7 | Confident | 111 Ų | 111 | 37.8 Ų | 37.8 | 48% | 0.483 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -54.9 | -39.7 | 174.1 | -76.9 | 176.7 | 175.5 | 144.6 | 0 | 112.6 | R402 V406 E447 | R402-K404 VanDerWaalsContact C-N 3.33Å; R402-K404 PolarHBondContact O-N 3.05Å; K404-V406 VanDerWaalsContact C-N 3.32Å; K404-V406 PolarHBondContact O-N 2.99Å; K404-E447 WeakPolarHBondContact CD-OE1 3.46Å; K404-E447 WeakPolarHBondContact CE-OE1 3.46Å; K404-E447 WeakPolarHBondContact CE-OE2 3.49Å; K404-E447 IonicContact NZ-OE1 3.75Å; K404-E447 PolarHBondContact NZ-OE1 3.21Å; K404-E447 IonicContact NZ-OE2 3.65Å; K404-E447 PolarHBondContact NZ-OE2 3.46Å |
| 405 | T | 73.9 | Confident | 86.7 | Confident | 26 Ų | 26 | 35.5 Ų | 35.5 | 16% | 0.16 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -75.9 | -16.6 | -174.9 | 65.2 | 0 | 0 | 0 | 0 | 114 | T372 R402 L403 | T372-T405 HydrophobicContact CG2-CG2 4.09Å; R402-T405 PolarHBondContact O-OG1 3.09Å; R402-T405 VanDerWaalsContact O-OG1 3.13Å; L403-T405 VanDerWaalsContact C-N 3.27Å; L403-T405 PolarHBondContact O-N 3.39Å |
| 406 | V | 83.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -101.3 | -3.4 | -179.6 | -59.9 | 0 | 0 | 0 | 0 | 113.8 | A238 V240 A400 L403 K404 N408 A409 I412 | A238-V406 HydrophobicContact CB-CB 3.58Å; A238-V406 HydrophobicContact CB-CG1 3.48Å; A238-V406 VanDerWaalsContact CB-CG1 3.48Å; V240-V406 HydrophobicContact CG2-CG2 4.14Å; A400-V406 HydrophobicContact CB-CG1 3.36Å; L403-V406 HydrophobicContact CD2-CG2 4.1Å; L403-V406 VanDerWaalsContact O-CG2 3.24Å; L403-V406 WeakPolarHBondContact O-CG2 3.31Å; L403-V406 PolarHBondContact O-N 3.27Å; K404-V406 VanDerWaalsContact C-N 3.32Å; K404-V406 PolarHBondContact O-N 2.99Å; V406-N408 PolarHBondContact O-N 2.85Å; V406-A409 VanDerWaalsContact O-CB 3.28Å; V406-A409 WeakPolarHBondContact O-CB 3.25Å; V406-A409 PolarHBondContact O-N 3.07Å; V406-I412 HydrophobicContact CG2-CD1 4.44Å |
| 407 | R | 83.9 | Confident | 86.2 | Confident | 156 Ų | 156 | 44.1 Ų | 44.1 | 59% | 0.589 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -34.6 | -179.2 | -173.8 | 177.8 | -176.3 | -162.4 | -3.2 | 113.1 | ||
| 408 | N | 84.2 | Confident | 85.8 | Confident | 134 Ų | 134 | 44.1 Ų | 44.1 | 72% | 0.717 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 6.7 | -177.8 | -60.8 | -7.1 | 0 | 0 | 0 | 113.2 | V406 | V406-N408 PolarHBondContact O-N 2.85Š|
| 409 | A | 87.3 | Confident | 85.7 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | trans | -71.3 | 140.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T236 A238 V406 L411 I412 | T236-A409 HydrophobicContact CG2-CB 4.08Å; A238-A409 HydrophobicContact CB-CB 3.71Å; V406-A409 VanDerWaalsContact O-CB 3.28Å; V406-A409 WeakPolarHBondContact O-CB 3.25Å; V406-A409 PolarHBondContact O-N 3.07Å; A409-L411 PolarHBondContact O-N 3.14Å; A409-I412 HydrophobicContact CB-CG1 4.2Å | ||
| 410 | N | 90.8 | Very high | 85.7 | Confident | 93 Ų | 93 | 48.5 Ų | 48.5 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -71.6 | -20 | 178.6 | -51.2 | 109.5 | 0 | 0 | 0 | 112.7 | Q235 T236 | Q235-N410 HydrophobicContact CG-CB 3.86Å; T236-N410 WeakPolarHBondContact CB-OD1 3.47Å; T236-N410 PolarHBondContact N-OD1 3.38Å; T236-N410 PolarHBondContact O-N 3.48Å |
| 411 | L | 93.4 | Very high | 86.1 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 127.9 | 172.9 | 176 | 65.6 | 0 | 0 | 0 | 108.9 | L229 Q235 T236 V237 A238 A409 V413 | L229-L411 HydrophobicContact CD1-CD2 4.3Å; Q235-L411 VanDerWaalsContact NE2-CB 3.32Å; T236-L411 PolarHBondContact O-N 2.94Å; V237-L411 CarbonylContact C-O 3.58Å; V237-L411 VanDerWaalsContact CA-O 3.31Å; V237-L411 WeakPolarHBondContact CA-O 3.28Å; V237-L411 HydrophobicContact CG1-CD2 4.38Å; V237-L411 HydrophobicContact CG2-CB 4.35Å; V237-L411 HydrophobicContact CG2-CD2 4.47Å; A238-L411 PolarHBondContact N-O 3.24Å; A409-L411 PolarHBondContact O-N 3.14Å; L411-V413 HydrophobicContact CD2-CG2 4.11Å; L411-V413 HydrophobicContact CG-CG2 3.99Å |
| 412 | I | 93.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.2 | 170.2 | -55.2 | 178.9 | 0 | 0 | 0 | 107.4 | A238 V240 V406 A409 S423 G424 H426 L429 Y436 | A238-I412 HydrophobicContact CB-CG1 4.24Å; V240-I412 HydrophobicContact CB-CG2 4.37Å; V240-I412 HydrophobicContact CG2-CG2 3.81Å; V406-I412 HydrophobicContact CG2-CD1 4.44Å; A409-I412 HydrophobicContact CB-CG1 4.2Å; I412-S423 VanDerWaalsContact O-CA 3.27Å; I412-S423 WeakPolarHBondContact O-CA 3.49Å; I412-G424 WeakPolarHBondContact CB-O 3.39Å; I412-G424 PolarHBondContact N-O 3.26Å; I412-G424 PolarHBondContact O-N 2.82Å; I412-H426 HydrophobicContact CD1-CB 4.15Å; I412-L429 HydrophobicContact CB-CD1 3.69Å; I412-L429 HydrophobicContact CG2-CD1 3.73Å; I412-Y436 HydrophobicContact CD1-CE2 3.91Å; I412-Y436 WeakPolarHBondContact CD1-OH 3.41Å; I412-Y436 HydrophobicContact CG2-CD2 3.94Å; I412-Y436 HydrophobicContact CG2-CE2 3.72Å |
| 413 | V | 93.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 117.6 | -177.4 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | L229 V237 A238 L239 V240 L411 L415 V420 | L229-V413 HydrophobicContact CD1-CG1 4.5Å; L229-V413 HydrophobicContact CD1-CG2 3.74Å; V237-V413 HydrophobicContact CG1-CG2 3.84Å; A238-V413 PolarHBondContact O-N 3.11Å; L239-V413 HydrophobicContact CD2-CB 3.97Å; L239-V413 HydrophobicContact CD2-CG1 4.43Å; L239-V413 HydrophobicContact CD2-CG2 4.34Å; V240-V413 PolarHBondContact N-O 3.45Å; L411-V413 HydrophobicContact CD2-CG2 4.11Å; L411-V413 HydrophobicContact CG-CG2 3.99Å; V413-L415 HydrophobicContact CG1-CD1 4.27Å; V413-V420 HydrophobicContact CG1-CB 4.38Å; V413-V420 HydrophobicContact CG1-CG1 3.72Å; V413-V420 HydrophobicContact CG1-CG2 3.75Å |
| 414 | V | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 119.2 | -179 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | V240 V420 C421 E422 L429 L435 Y436 | V240-V414 WeakPolarHBondContact O-CA 3.42Å; V414-V420 WeakPolarHBondContact O-CA 3.48Å; V414-C421 PolarHBondContact O-N 3.41Å; V414-E422 HydrophobicContact CB-CB 3.97Å; V414-E422 HydrophobicContact CG2-CB 3.75Å; V414-E422 PolarHBondContact N-O 3.27Å; V414-L429 HydrophobicContact CG2-CD1 4.17Å; V414-L435 HydrophobicContact CG1-CB 4.26Å; V414-L435 HydrophobicContact CG1-CD2 3.88Å; V414-L435 HydrophobicContact CG1-CG 4.11Å; V414-Y436 HydrophobicContact CG2-CD2 4.29Å |
| 415 | L | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.5 | 174.3 | -67.6 | 86 | 0 | 0 | 0 | 110.5 | L224 F227 L239 V240 G241 P242 S245 V250 V413 V419 | L224-L415 HydrophobicContact CD2-CD2 4.21Å; F227-L415 HydrophobicContact CD2-CD2 4.23Å; F227-L415 HydrophobicContact CE2-CD2 3.72Å; F227-L415 HydrophobicContact CE2-CG 4.1Å; L239-L415 HydrophobicContact CB-CD1 4.28Å; L239-L415 HydrophobicContact CD2-CD1 4.32Å; V240-L415 PolarHBondContact O-N 3.23Å; G241-L415 WeakPolarHBondContact CA-O 3.34Å; P242-L415 WeakPolarHBondContact CD-O 3.33Å; S245-L415 WeakPolarHBondContact CB-O 3.41Å; S245-L415 PolarHBondContact OG-O 3.42Å; V250-L415 HydrophobicContact CG2-CD2 4.38Å; V413-L415 HydrophobicContact CG1-CD1 4.27Å; L415-V419 VanDerWaalsContact CA-O 3.31Å; L415-V419 WeakPolarHBondContact CA-O 3.45Å |
| 416 | D | 89.1 | Confident | 89.5 | Confident | 39 Ų | 39 | 46.2 Ų | 46.2 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.6 | 159 | -177 | 41.1 | 0 | 0 | 0 | 110.9 | G418 V419 L435 | D416-G418 PolarHBondContact O-N 3.06Å; D416-V419 PolarHBondContact N-O 2.95Å; D416-V419 PolarHBondContact O-N 2.84Å; D416-L435 HydrophobicContact CB-CD2 4Å |
| 417 | K | 86.1 | Confident | 89.8 | Confident | 142 Ų | 142 | 51.6 Ų | 51.6 | 62% | 0.617 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 25.3 | 176.9 | -64.7 | 166.3 | -167.6 | 92.4 | 0 | 115.6 | K225 | K225-K417 WeakPolarHBondContact CE-O 3.49Å; K225-K417 PolarHBondContact NZ-O 2.77Å |
| 418 | G | 83.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 8 | 180 | 0 | 0 | 0 | 0 | 0 | 117 | I223 K225 S245 D416 | I223-G418 WeakPolarHBondContact O-CA 3.14Å; K225-G418 PolarHBondContact N-O 2.84Å; S245-G418 WeakPolarHBondContact O-CA 3.25Å; S245-G418 PolarHBondContact O-N 2.9Å; D416-G418 PolarHBondContact O-N 3.06Å |
| 419 | V | 90.3 | Very high | 90.4 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 39% | 0.394 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 147.5 | -179.1 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | K225 L415 D416 | K225-V419 HydrophobicContact CB-CG2 3.98Å; L415-V419 VanDerWaalsContact CA-O 3.31Å; L415-V419 WeakPolarHBondContact CA-O 3.45Å; D416-V419 PolarHBondContact N-O 2.95Å; D416-V419 PolarHBondContact O-N 2.84Å |
| 420 | V | 91.2 | Very high | 90.5 | Very high | 41 Ų | 41 | 44.8 Ų | 44.8 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 121.2 | 168.3 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | F227 V413 V414 | F227-V420 HydrophobicContact CD2-CG2 3.76Å; F227-V420 HydrophobicContact CE2-CG2 3.47Å; F227-V420 VanDerWaalsContact CE2-CG2 3.47Å; F227-V420 HydrophobicContact CZ-CG2 4.36Å; V413-V420 HydrophobicContact CG1-CB 4.38Å; V413-V420 HydrophobicContact CG1-CG1 3.72Å; V413-V420 HydrophobicContact CG1-CG2 3.75Å; V414-V420 WeakPolarHBondContact O-CA 3.48Å |
| 421 | C | 89.4 | Confident | 90.4 | Very high | 69 Ų | 69 | 44 Ų | 44 | 47% | 0.466 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -42.7 | 179.4 | -65 | 0 | 0 | 0 | 0 | 112.2 | V414 | V414-C421 PolarHBondContact O-N 3.41Å |
| 422 | E | 91.2 | Very high | 90 | Very high | 31 Ų | 31 | 48.6 Ų | 48.6 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.6 | -174.3 | -73.2 | 146.4 | -138.2 | 0 | 0 | 108.8 | V414 L429 G434 L435 Y436 | V414-E422 HydrophobicContact CB-CB 3.97Å; V414-E422 HydrophobicContact CG2-CB 3.75Å; V414-E422 PolarHBondContact N-O 3.27Å; E422-L429 HydrophobicContact CB-CD2 3.84Å; E422-G434 WeakPolarHBondContact OE1-CA 3.46Å; E422-L435 VanDerWaalsContact CD-N 3.27Å; E422-L435 VanDerWaalsContact OE1-CB 3.26Å; E422-L435 WeakPolarHBondContact OE1-CB 3.36Å; E422-L435 PolarHBondContact OE1-N 2.64Å; E422-L435 PolarHBondContact OE2-N 3.34Å; E422-Y436 PolarHBondContact OE2-N 3.01Å |
| 423 | S | 91.8 | Very high | 89.5 | Confident | 76 Ų | 76 | 57 Ų | 57 | 53% | 0.531 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 123.6 | 175.1 | 62.2 | 0 | 0 | 0 | 0 | 112 | I412 | I412-S423 VanDerWaalsContact O-CA 3.27Å; I412-S423 WeakPolarHBondContact O-CA 3.49Å |
| 424 | G | 91.7 | Very high | 89.3 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | -171.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I412 | I412-G424 WeakPolarHBondContact CB-O 3.39Å; I412-G424 PolarHBondContact N-O 3.26Å; I412-G424 PolarHBondContact O-N 2.82Å |
| 425 | T | 92.3 | Very high | 89 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 33% | 0.331 | 34% | 0.335 | S | S | . | . | trans | -76.2 | 169.8 | 169 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | D427 E428 L429 | T425-D427 VanDerWaalsContact C-N 3.32Å; T425-D427 PolarHBondContact O-N 3.34Å; T425-E428 WeakPolarHBondContact CB-OE2 3.26Å; T425-E428 WeakPolarHBondContact CG2-OE2 3.18Å; T425-E428 PolarHBondContact N-OE2 2.98Å; T425-E428 PolarHBondContact O-N 3.02Å; T425-E428 VanDerWaalsContact OG1-CG 3.32Å; T425-E428 WeakPolarHBondContact OG1-CG 3.4Å; T425-E428 PolarHBondContact OG1-OE2 3.23Å; T425-L429 WeakPolarHBondContact O-CG 3.45Å; T425-L429 PolarHBondContact O-N 3.48Å; T425-L429 VanDerWaalsContact O-N 3.08Å | ||
| 426 | H | 89.2 | Confident | 88.9 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.2 | -46.5 | 177.2 | 180 | 74.1 | 0 | 0 | 0 | 112.7 | I412 V430 Y436 | I412-H426 HydrophobicContact CD1-CB 4.15Å; H426-V430 WeakPolarHBondContact O-CB 3.05Å; H426-V430 VanDerWaalsContact O-CG2 3.23Å; H426-V430 WeakPolarHBondContact O-CG2 3.37Å; H426-V430 PolarHBondContact O-N 2.84Å; H426-V430 VanDerWaalsContact O-N 3.09Å; H426-Y436 AromaticContact ND1-CE1 3.65Å; H426-Y436 AromaticContact ND1-CZ 3.7Å; H426-Y436 PolarHBondContact ND1-OH 3.32Å |
| 427 | D | 89.9 | Confident | 88.7 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 62% | 0.62 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -75 | -34.5 | -173.7 | -58.5 | -46.2 | 0 | 0 | 0 | 112.1 | T425 A431 | T425-D427 VanDerWaalsContact C-N 3.32Å; T425-D427 PolarHBondContact O-N 3.34Å; D427-A431 WeakPolarHBondContact O-CB 3.35Å; D427-A431 PolarHBondContact O-N 2.91Å |
| 428 | E | 91.7 | Very high | 88.7 | Confident | 106 Ų | 106 | 55 Ų | 55 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.6 | -51.6 | 172.3 | -71.6 | 163.2 | 149.6 | 0 | 0 | 111.2 | T425 V430 A431 E432 | T425-E428 WeakPolarHBondContact CB-OE2 3.26Å; T425-E428 WeakPolarHBondContact CG2-OE2 3.18Å; T425-E428 PolarHBondContact N-OE2 2.98Å; T425-E428 PolarHBondContact O-N 3.02Å; T425-E428 VanDerWaalsContact OG1-CG 3.32Å; T425-E428 WeakPolarHBondContact OG1-CG 3.4Å; T425-E428 PolarHBondContact OG1-OE2 3.23Å; E428-V430 VanDerWaalsContact C-N 3.27Å; E428-V430 PolarHBondContact O-N 3.39Å; E428-A431 WeakPolarHBondContact O-CB 3.48Å; E428-A431 PolarHBondContact O-N 3.5Å; E428-E432 PolarHBondContact O-N 2.92Å |
| 429 | L | 89.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.8 | -26.6 | -179.2 | -66.1 | -173.4 | 0 | 0 | 0 | 113.5 | I412 V414 E422 T425 Y436 | I412-L429 HydrophobicContact CB-CD1 3.69Å; I412-L429 HydrophobicContact CG2-CD1 3.73Å; V414-L429 HydrophobicContact CG2-CD1 4.17Å; E422-L429 HydrophobicContact CB-CD2 3.84Å; T425-L429 WeakPolarHBondContact O-CG 3.45Å; T425-L429 PolarHBondContact O-N 3.48Å; T425-L429 VanDerWaalsContact O-N 3.08Å; L429-Y436 HydrophobicContact CB-CD1 3.47Å; L429-Y436 VanDerWaalsContact CB-CD1 3.47Å; L429-Y436 HydrophobicContact CB-CE1 4.19Å; L429-Y436 HydrophobicContact CB-CG 3.8Å; L429-Y436 HydrophobicContact CD1-CD1 4.24Å; L429-Y436 HydrophobicContact CD1-CD2 4.09Å; L429-Y436 HydrophobicContact CD1-CG 3.87Å |
| 430 | V | 88.4 | Confident | 88.4 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -73.7 | -36.7 | 170.7 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | H426 E428 K433 Y436 L440 | H426-V430 WeakPolarHBondContact O-CB 3.05Å; H426-V430 VanDerWaalsContact O-CG2 3.23Å; H426-V430 WeakPolarHBondContact O-CG2 3.37Å; H426-V430 PolarHBondContact O-N 2.84Å; H426-V430 VanDerWaalsContact O-N 3.09Å; E428-V430 VanDerWaalsContact C-N 3.27Å; E428-V430 PolarHBondContact O-N 3.39Å; V430-K433 PolarHBondContact O-N 3.31Å; V430-Y436 HydrophobicContact CG2-CD1 4.28Å; V430-Y436 HydrophobicContact CG2-CE1 4.04Å; V430-L440 HydrophobicContact CG2-CD2 3.58Å |
| 431 | A | 88.2 | Confident | 87.9 | Confident | 76 Ų | 76 | 55 Ų | 55 | 63% | 0.628 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70 | -36.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | D427 E428 K433 | D427-A431 WeakPolarHBondContact O-CB 3.35Å; D427-A431 PolarHBondContact O-N 2.91Å; E428-A431 WeakPolarHBondContact O-CB 3.48Å; E428-A431 PolarHBondContact O-N 3.5Å; A431-K433 PolarHBondContact O-N 3.41Å |
| 432 | E | 85.6 | Confident | 87.4 | Confident | 127 Ų | 127 | 56.3 Ų | 56.3 | 59% | 0.593 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20.8 | 176.3 | -73.2 | -173.4 | 153.6 | 0 | 0 | 113.7 | E428 G434 | E428-E432 PolarHBondContact O-N 2.92Å; E432-G434 PolarHBondContact O-N 2.93Å |
| 433 | K | 83.7 | Confident | 86.6 | Confident | 176 Ų | 176 | 56.4 Ų | 56.4 | 77% | 0.765 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 28.4 | -177.3 | -59.3 | 176.9 | -177 | 175.1 | 0 | 114.1 | V430 A431 | V430-K433 PolarHBondContact O-N 3.31Å; A431-K433 PolarHBondContact O-N 3.41Å |
| 434 | G | 87.5 | Confident | 85.3 | Confident | 20 Ų | 20 | 60 Ų | 60 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -74.1 | -163.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E422 E432 Y436 A437 A438 | E422-G434 WeakPolarHBondContact OE1-CA 3.46Å; E432-G434 PolarHBondContact O-N 2.93Å; G434-Y436 PolarHBondContact O-N 3.5Å; G434-A437 PolarHBondContact O-N 3.01Å; G434-A437 VanDerWaalsContact O-N 3.07Å; G434-A438 PolarHBondContact O-N 3.02Å |
| 435 | L | 86.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 30% | 0.298 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.1 | -34.4 | 175.6 | -175.6 | 60.1 | 0 | 0 | 0 | 112 | V414 D416 E422 A438 M439 | V414-L435 HydrophobicContact CG1-CB 4.26Å; V414-L435 HydrophobicContact CG1-CD2 3.88Å; V414-L435 HydrophobicContact CG1-CG 4.11Å; D416-L435 HydrophobicContact CB-CD2 4Å; E422-L435 VanDerWaalsContact CD-N 3.27Å; E422-L435 VanDerWaalsContact OE1-CB 3.26Å; E422-L435 WeakPolarHBondContact OE1-CB 3.36Å; E422-L435 PolarHBondContact OE1-N 2.64Å; E422-L435 PolarHBondContact OE2-N 3.34Å; L435-A438 PolarHBondContact O-N 3.18Å; L435-M439 HydrophobicContact CD1-CE 3.74Å; L435-M439 HydrophobicContact CD2-CE 3.92Å; L435-M439 HydrophobicContact CG-CE 3.59Å; L435-M439 VanDerWaalsContact O-CG 3.31Å; L435-M439 WeakPolarHBondContact O-CG 3.5Å; L435-M439 PolarHBondContact O-N 3.31Å |
| 436 | Y | 88.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 171.6 | -175 | -101.1 | 0 | 0 | 0 | 112.3 | V240 L403 I412 V414 E422 H426 L429 V430 G434 A438 M439 L440 | V240-Y436 HydrophobicContact CG1-CD2 4.21Å; V240-Y436 HydrophobicContact CG1-CE2 4.47Å; V240-Y436 HydrophobicContact CG2-CE2 4.47Å; L403-Y436 HydrophobicContact CD2-CD2 4.32Å; L403-Y436 HydrophobicContact CD2-CE2 3.67Å; I412-Y436 HydrophobicContact CD1-CE2 3.91Å; I412-Y436 WeakPolarHBondContact CD1-OH 3.41Å; I412-Y436 HydrophobicContact CG2-CD2 3.94Å; I412-Y436 HydrophobicContact CG2-CE2 3.72Å; V414-Y436 HydrophobicContact CG2-CD2 4.29Å; E422-Y436 PolarHBondContact OE2-N 3.01Å; H426-Y436 AromaticContact ND1-CE1 3.65Å; H426-Y436 AromaticContact ND1-CZ 3.7Å; H426-Y436 PolarHBondContact ND1-OH 3.32Å; L429-Y436 HydrophobicContact CB-CD1 3.47Å; L429-Y436 VanDerWaalsContact CB-CD1 3.47Å; L429-Y436 HydrophobicContact CB-CE1 4.19Å; L429-Y436 HydrophobicContact CB-CG 3.8Å; L429-Y436 HydrophobicContact CD1-CD1 4.24Å; L429-Y436 HydrophobicContact CD1-CD2 4.09Å; L429-Y436 HydrophobicContact CD1-CG 3.87Å; V430-Y436 HydrophobicContact CG2-CD1 4.28Å; V430-Y436 HydrophobicContact CG2-CE1 4.04Å; G434-Y436 PolarHBondContact O-N 3.5Å; Y436-A438 VanDerWaalsContact C-N 3.32Å; Y436-A438 PolarHBondContact O-N 3.18Å; Y436-M439 PolarHBondContact O-N 3.22Å; Y436-L440 HydrophobicContact CE1-CD2 4.49Å; Y436-L440 WeakPolarHBondContact O-CB 3.29Å; Y436-L440 PolarHBondContact O-N 3.01Å |
| 437 | A | 86 | Confident | 80.6 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 17% | 0.165 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | G434 L440 S441 | G434-A437 PolarHBondContact O-N 3.01Å; G434-A437 VanDerWaalsContact O-N 3.07Å; A437-L440 PolarHBondContact O-N 2.9Å; A437-S441 PolarHBondContact O-N 3.31Å; A437-S441 PolarHBondContact O-OG 3.5Å |
| 438 | A | 84.7 | Confident | 78.5 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G434 L435 Y436 L440 S441 N442 | G434-A438 PolarHBondContact O-N 3.02Å; L435-A438 PolarHBondContact O-N 3.18Å; Y436-A438 VanDerWaalsContact C-N 3.32Å; Y436-A438 PolarHBondContact O-N 3.18Å; A438-L440 VanDerWaalsContact C-N 3.33Å; A438-S441 WeakPolarHBondContact CA-OG 3.22Å; A438-S441 PolarHBondContact O-OG 2.85Å; A438-N442 WeakPolarHBondContact O-CB 3.32Å; A438-N442 PolarHBondContact O-N 3.49Å; A438-N442 PolarHBondContact O-ND2 3.02Å; A438-N442 PolarHBondContact O-OD1 2.88Å |
| 439 | M | 84.4 | Confident | 76.3 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 17% | 0.167 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.4 | -37 | 171 | -70.3 | 175.9 | -173.5 | 0 | 0 | 111.5 | V240 P242 L403 L435 Y436 N442 Q443 | V240-M439 HydrophobicContact CG1-SD 3.96Å; P242-M439 HydrophobicContact CB-CE 4.48Å; P242-M439 HydrophobicContact CG-CE 4.44Å; L403-M439 HydrophobicContact CD1-CB 3.92Å; L435-M439 HydrophobicContact CD1-CE 3.74Å; L435-M439 HydrophobicContact CD2-CE 3.92Å; L435-M439 HydrophobicContact CG-CE 3.59Å; L435-M439 VanDerWaalsContact O-CG 3.31Å; L435-M439 WeakPolarHBondContact O-CG 3.5Å; L435-M439 PolarHBondContact O-N 3.31Å; Y436-M439 PolarHBondContact O-N 3.22Å; M439-N442 PolarHBondContact O-N 2.96Å; M439-Q443 WeakPolarHBondContact O-CB 3.37Å; M439-Q443 WeakPolarHBondContact O-CG 3.31Å; M439-Q443 PolarHBondContact O-N 2.89Å |
| 440 | L | 85 | Confident | 74.1 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.9 | -37.1 | 177.9 | -170 | 67.3 | 0 | 0 | 0 | 112.5 | L403 V430 Y436 A437 A438 R444 | L403-L440 HydrophobicContact CB-CD1 4.07Å; L403-L440 HydrophobicContact CD1-CB 4Å; L403-L440 HydrophobicContact CD1-CD1 3.95Å; V430-L440 HydrophobicContact CG2-CD2 3.58Å; Y436-L440 HydrophobicContact CE1-CD2 4.49Å; Y436-L440 WeakPolarHBondContact O-CB 3.29Å; Y436-L440 PolarHBondContact O-N 3.01Å; A437-L440 PolarHBondContact O-N 2.9Å; A438-L440 VanDerWaalsContact C-N 3.33Å; L440-R444 WeakPolarHBondContact O-CB 2.95Å; L440-R444 VanDerWaalsContact O-CG 3.27Å; L440-R444 WeakPolarHBondContact O-CG 3.4Å; L440-R444 PolarHBondContact O-N 3.01Å |
| 441 | S | 80 | Confident | 71.8 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 171.3 | 56.6 | 0 | 0 | 0 | 0 | 111.3 | A437 A438 Q443 R444 I445 | A437-S441 PolarHBondContact O-N 3.31Å; A437-S441 PolarHBondContact O-OG 3.5Å; A438-S441 WeakPolarHBondContact CA-OG 3.22Å; A438-S441 PolarHBondContact O-OG 2.85Å; S441-Q443 PolarHBondContact O-N 3.39Å; S441-R444 PolarHBondContact O-N 2.76Å; S441-I445 VanDerWaalsContact O-CG1 3.31Å; S441-I445 WeakPolarHBondContact O-CG1 3.47Å; S441-I445 PolarHBondContact O-N 2.94Å |
| 442 | N | 79.2 | Confident | 69.3 | Low | 96 Ų | 96 | 67.8 Ų | 67.8 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 179.8 | -66.5 | -3.4 | 0 | 0 | 0 | 111.7 | A438 M439 I445 L446 | A438-N442 WeakPolarHBondContact O-CB 3.32Å; A438-N442 PolarHBondContact O-N 3.49Å; A438-N442 PolarHBondContact O-ND2 3.02Å; A438-N442 PolarHBondContact O-OD1 2.88Å; M439-N442 PolarHBondContact O-N 2.96Å; N442-I445 PolarHBondContact O-N 3.2Å; N442-L446 WeakPolarHBondContact O-CG 3.42Å; N442-L446 PolarHBondContact O-N 3.1Å; N442-L446 VanDerWaalsContact O-N 3.12Å |
| 443 | Q | 73 | Confident | 67 | Low | 34 Ų | 34 | 64.3 Ų | 64.3 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.8 | -35.5 | 172.4 | -73.6 | -166.5 | 5.4 | 0 | 0 | 112.4 | H401 L403 M439 S441 I445 L446 E447 | H401-Q443 PolarHBondContact O-NE2 3.18Å; L403-Q443 HydrophobicContact CD1-CB 4.33Å; L403-Q443 HydrophobicContact CD1-CG 4.26Å; L403-Q443 VanDerWaalsContact CG-OE1 3.25Å; M439-Q443 WeakPolarHBondContact O-CB 3.37Å; M439-Q443 WeakPolarHBondContact O-CG 3.31Å; M439-Q443 PolarHBondContact O-N 2.89Å; S441-Q443 PolarHBondContact O-N 3.39Å; Q443-I445 VanDerWaalsContact C-N 3.28Å; Q443-I445 PolarHBondContact O-N 3.33Å; Q443-L446 PolarHBondContact O-N 2.87Å; Q443-E447 WeakPolarHBondContact O-CB 3.38Å; Q443-E447 WeakPolarHBondContact O-CG 3.5Å; Q443-E447 PolarHBondContact O-N 3.21Å |
| 444 | R | 66 | Low | 65 | Low | 150 Ų | 150 | 58.7 Ų | 58.7 | 57% | 0.566 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.1 | -31.7 | 172.9 | -79.6 | 178.3 | -177.2 | 174.6 | 4.1 | 113.3 | L440 S441 S448 | L440-R444 WeakPolarHBondContact O-CB 2.95Å; L440-R444 VanDerWaalsContact O-CG 3.27Å; L440-R444 WeakPolarHBondContact O-CG 3.4Å; L440-R444 PolarHBondContact O-N 3.01Å; S441-R444 PolarHBondContact O-N 2.76Å; R444-S448 WeakPolarHBondContact O-CB 3.27Å; R444-S448 PolarHBondContact O-N 2.83Å; R444-S448 PolarHBondContact O-OG 2.95Å; R444-S448 VanDerWaalsContact O-OG 3.05Å |
| 445 | I | 62.4 | Low | 62.5 | Low | 110 Ų | 110 | 64.8 Ų | 64.8 | 56% | 0.564 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -69 | -43.8 | 173.8 | -68.4 | 161.3 | 0 | 0 | 0 | 110.7 | S441 N442 Q443 S448 A449 | S441-I445 VanDerWaalsContact O-CG1 3.31Å; S441-I445 WeakPolarHBondContact O-CG1 3.47Å; S441-I445 PolarHBondContact O-N 2.94Å; N442-I445 PolarHBondContact O-N 3.2Å; Q443-I445 VanDerWaalsContact C-N 3.28Å; Q443-I445 PolarHBondContact O-N 3.33Å; I445-S448 WeakPolarHBondContact CA-OG 3.43Å; I445-S448 PolarHBondContact O-OG 3.41Å; I445-A449 PolarHBondContact O-N 2.88Å |
| 446 | L | 57.3 | Low | 59.9 | Low | 110 Ų | 110 | 69.1 Ų | 69.1 | 58% | 0.576 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.5 | -37.7 | 174.2 | -66.4 | 166.4 | 0 | 0 | 0 | 111.9 | N442 Q443 A449 E450 | N442-L446 WeakPolarHBondContact O-CG 3.42Å; N442-L446 PolarHBondContact O-N 3.1Å; N442-L446 VanDerWaalsContact O-N 3.12Å; Q443-L446 PolarHBondContact O-N 2.87Å; L446-A449 PolarHBondContact O-N 3.2Å; L446-E450 WeakPolarHBondContact O-CG 3.49Å; L446-E450 PolarHBondContact O-N 3.41Å |
| 447 | E | 55.1 | Low | 57.2 | Low | 32 Ų | 32 | 75 Ų | 75 | 15% | 0.15 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -78.2 | -25.8 | 179.6 | -72.1 | -173.6 | 143.7 | 0 | 0 | 112.9 | K404 Q443 A449 E450 N451 | K404-E447 WeakPolarHBondContact CD-OE1 3.46Å; K404-E447 WeakPolarHBondContact CE-OE1 3.46Å; K404-E447 WeakPolarHBondContact CE-OE2 3.49Å; K404-E447 IonicContact NZ-OE1 3.75Å; K404-E447 PolarHBondContact NZ-OE1 3.21Å; K404-E447 IonicContact NZ-OE2 3.65Å; K404-E447 PolarHBondContact NZ-OE2 3.46Å; Q443-E447 WeakPolarHBondContact O-CB 3.38Å; Q443-E447 WeakPolarHBondContact O-CG 3.5Å; Q443-E447 PolarHBondContact O-N 3.21Å; E447-A449 VanDerWaalsContact C-N 3.31Å; E447-E450 PolarHBondContact O-N 3.13Å; E447-N451 VanDerWaalsContact O-CB 3.31Å; E447-N451 WeakPolarHBondContact O-CB 3.43Å; E447-N451 PolarHBondContact O-N 3.33Å; E447-N451 PolarHBondContact O-ND2 3.26Å |
| 448 | S | 45.1 | Very low | 54.7 | Low | 69 Ų | 69 | 81 Ų | 81 | 48% | 0.483 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 169.4 | 47.2 | 0 | 0 | 0 | 0 | 111.1 | R444 I445 D452 | R444-S448 WeakPolarHBondContact O-CB 3.27Å; R444-S448 PolarHBondContact O-N 2.83Å; R444-S448 PolarHBondContact O-OG 2.95Å; R444-S448 VanDerWaalsContact O-OG 3.05Å; I445-S448 WeakPolarHBondContact CA-OG 3.43Å; I445-S448 PolarHBondContact O-OG 3.41Å; S448-D452 PolarHBondContact O-N 3.37Å |
| 449 | A | 46.3 | Very low | 52 | Low | 21 Ų | 21 | 88.2 Ų | 88.2 | 17% | 0.174 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.3 | -56.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I445 L446 E447 N451 D452 D453 | I445-A449 PolarHBondContact O-N 2.88Å; L446-A449 PolarHBondContact O-N 3.2Å; E447-A449 VanDerWaalsContact C-N 3.31Å; A449-N451 VanDerWaalsContact C-N 3.28Å; A449-N451 PolarHBondContact O-N 3.28Å; A449-N451 VanDerWaalsContact O-N 3.11Å; A449-D452 PolarHBondContact O-N 2.9Å; A449-D453 PolarHBondContact O-N 3.2Å; A449-D453 VanDerWaalsContact O-OD1 3.08Å |
| 450 | E | 42.7 | Very low | 49.3 | Very low | 110 Ų | 110 | 90.1 Ų | 90.1 | 51% | 0.514 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67 | -12.4 | -175.1 | -70.3 | -176.8 | 172.5 | 0 | 0 | 116.2 | L446 E447 S454 | L446-E450 WeakPolarHBondContact O-CG 3.49Å; L446-E450 PolarHBondContact O-N 3.41Å; E447-E450 PolarHBondContact O-N 3.13Å; E450-S454 PolarHBondContact O-OG 3.33Å; E450-S454 VanDerWaalsContact O-OG 3.1Å |
| 451 | N | 38.8 | Very low | 46.6 | Very low | 46 Ų | 46 | 95.1 Ų | 95.1 | 25% | 0.246 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -102.1 | -30.7 | 178.8 | -68.6 | -95.7 | 0 | 0 | 0 | 113.1 | E447 A449 D453 S454 E455 | E447-N451 VanDerWaalsContact O-CB 3.31Å; E447-N451 WeakPolarHBondContact O-CB 3.43Å; E447-N451 PolarHBondContact O-N 3.33Å; E447-N451 PolarHBondContact O-ND2 3.26Å; A449-N451 VanDerWaalsContact C-N 3.28Å; A449-N451 PolarHBondContact O-N 3.28Å; A449-N451 VanDerWaalsContact O-N 3.11Å; N451-D453 PolarHBondContact O-N 3.07Å; N451-S454 PolarHBondContact O-N 2.78Å; N451-S454 PolarHBondContact O-OG 3.49Å; N451-E455 PolarHBondContact O-N 2.78Å |
| 452 | D | 36.4 | Very low | 44 | Very low | 97 Ų | 97 | 102.1 Ų | 102.1 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -27.9 | 166.1 | -84.9 | 14.9 | 0 | 0 | 0 | 111.2 | S448 A449 S454 | S448-D452 PolarHBondContact O-N 3.37Å; A449-D452 PolarHBondContact O-N 2.9Å; D452-S454 VanDerWaalsContact C-N 3.26Å; D452-S454 PolarHBondContact O-N 3.46Å |
| 453 | D | 38.1 | Very low | 41.5 | Very low | 54 Ų | 54 | 104.9 Ų | 104.9 | 29% | 0.289 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -53.7 | -35.3 | 166.4 | -94.1 | 62.1 | 0 | 0 | 0 | 114.9 | A449 N451 M1099 | A449-D453 PolarHBondContact O-N 3.2Å; A449-D453 VanDerWaalsContact O-OD1 3.08Å; N451-D453 PolarHBondContact O-N 3.07Å; D453-M1099 HydrophobicContact CB-CE 4.06Å; D453-M1099 HydrophobicContact CB-CG 4.32Å; D453-M1099 VanDerWaalsContact CG-CG 3.46Å; D453-M1099 WeakPolarHBondContact O-CE 3.45Å; D453-M1099 WeakPolarHBondContact OD1-CA 3.5Å; D453-M1099 WeakPolarHBondContact OD1-CB 3.38Å; D453-M1099 WeakPolarHBondContact OD1-CG 3.48Å |
| 454 | S | 40.1 | Very low | 39.2 | Very low | 58 Ų | 58 | 112.2 Ų | 112.2 | 41% | 0.406 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -124.8 | -21.5 | -154.2 | 56 | 0 | 0 | 0 | 0 | 115.6 | E450 N451 D452 | E450-S454 PolarHBondContact O-OG 3.33Å; E450-S454 VanDerWaalsContact O-OG 3.1Å; N451-S454 PolarHBondContact O-N 2.78Å; N451-S454 PolarHBondContact O-OG 3.49Å; D452-S454 VanDerWaalsContact C-N 3.26Å; D452-S454 PolarHBondContact O-N 3.46Å |
| 455 | E | 35.2 | Very low | 37.4 | Very low | 148 Ų | 148 | 115.7 Ų | 115.7 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -80.9 | -20.3 | 173.9 | -59.8 | -157.9 | 148.3 | 0 | 0 | 113 | N451 F457 | N451-E455 PolarHBondContact O-N 2.78Å; E455-F457 PolarHBondContact O-N 2.63Å; E455-F457 VanDerWaalsContact O-N 3.13Å |
| 456 | L | 33.4 | Very low | 35.5 | Very low | 147 Ų | 147 | 116.2 Ų | 116.2 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 11.3 | 177.1 | -88.4 | 163.8 | 0 | 0 | 0 | 115.5 | ||
| 457 | F | 32.9 | Very low | 34.2 | Very low | 123 Ų | 123 | 117.3 Ų | 117.3 | 54% | 0.539 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117 | -5.3 | -176.6 | -85.4 | -64.5 | 0 | 0 | 0 | 116.7 | E455 M1099 | E455-F457 PolarHBondContact O-N 2.63Å; E455-F457 VanDerWaalsContact O-N 3.13Å; F457-M1099 HydrophobicContact CE2-CE 4.18Å |
| 458 | D | 31.8 | Very low | 32.7 | Very low | 148 Ų | 148 | 121.1 Ų | 121.1 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -113.6 | -4.4 | -172 | -127.9 | -6.8 | 0 | 0 | 0 | 115.5 | ||
| 459 | E | 28.8 | Very low | 31.9 | Very low | 194 Ų | 194 | 120.4 Ų | 120.4 | 91% | 0.907 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -110.8 | 115.9 | 172.3 | -66.4 | -155.1 | 150.8 | 0 | 0 | 112.4 | ||
| 460 | G | 27.4 | Very low | 30.9 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 128.6 | 25 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 461 | S | 28.7 | Very low | 30.1 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | trans | -150.9 | 57.5 | 169.9 | -82.8 | 0 | 0 | 0 | 0 | 115 | N463 | S461-N463 VanDerWaalsContact C-N 3.33Å; S461-N463 PolarHBondContact O-N 3.45Å | ||
| 462 | Q | 25.5 | Very low | 29.7 | Very low | 202 Ų | 202 | 137.4 Ų | 137.4 | 94% | 0.944 | 74% | 0.738 | S | S | * | * | trans | -70 | 89.1 | 161.1 | -73 | -167.2 | 9 | 0 | 0 | 110.3 | ||||
| 463 | N | 27.4 | Very low | 29.2 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -144.1 | 133.1 | 165.2 | -123.5 | -32.1 | 0 | 0 | 0 | 112.5 | S461 Y465 | S461-N463 VanDerWaalsContact C-N 3.33Å; S461-N463 PolarHBondContact O-N 3.45Å; N463-Y465 PolarHBondContact O-N 2.98Å | ||
| 464 | K | 24.2 | Very low | 28.6 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 120 | -167.8 | -67.8 | 168.3 | 178.7 | 169.9 | 0 | 111.6 | ||||
| 465 | Y | 26.8 | Very low | 28.1 | Very low | 223 Ų | 223 | 149.5 Ų | 149.5 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | -109.1 | 81.3 | 152.9 | -88.4 | -80.8 | 0 | 0 | 0 | 110.3 | N463 | N463-Y465 PolarHBondContact O-N 2.98Š| ||
| 466 | V | 24.5 | Very low | 27.8 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -84.1 | 107.5 | 164.2 | 175.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 467 | V | 28.8 | Very low | 27.5 | Very low | 133 Ų | 133 | 147 Ų | 147 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -93.5 | 101 | 164 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 468 | S | 24.3 | Very low | 27.2 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -98 | 157.2 | 169.5 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 469 | G | 28.1 | Very low | 27.1 | Very low | 53 Ų | 53 | 148.4 Ų | 148.4 | 55% | 0.546 | 81% | 0.805 | S | S | . | * | trans | 99.4 | 125.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 470 | K | 25.8 | Very low | 27 | Very low | 209 Ų | 209 | 144.1 Ų | 144.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | cis | 54.8 | 53.1 | 10 | -91.2 | -167.6 | 175.2 | -176 | 0 | 113.7 | ||||
| 471 | D | 25.6 | Very low | 26.9 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -162.3 | 174.3 | 140.3 | -99.7 | -28.8 | 0 | 0 | 0 | 109.5 | ||||
| 472 | L | 30 | Very low | 26.7 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | 81.9 | 35.8 | -169.6 | -58.9 | 166.7 | 0 | 0 | 0 | 116.5 | ||||
| 473 | L | 26.6 | Very low | 26.9 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | -79.8 | 145.6 | 129.6 | -83.1 | 168.1 | 0 | 0 | 0 | 108.9 | |||||
| 474 | T | 25.8 | Very low | 26.8 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 77.2 | 148.1 | 173.7 | 80 | 0 | 0 | 0 | 0 | 119.1 | ||
| 475 | K | 28.5 | Very low | 27 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | 89.2 | 124.5 | 161.2 | -66 | 180 | 178.2 | 175.4 | 0 | 120.5 | ||||
| 476 | S | 28.9 | Very low | 27.2 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | 73.7 | 142.4 | 154.5 | 69.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 477 | D | 26.9 | Very low | 27.4 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | -173.7 | 153 | -45.2 | -108.6 | -47 | 0 | 0 | 0 | 109 | ||||
| 478 | N | 27.8 | Very low | 27.1 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 67.6 | 139 | 179.8 | -42.9 | -73.6 | 0 | 0 | 0 | 113.5 | ||||
| 479 | I | 29.4 | Very low | 27.3 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | -147.6 | 131.4 | 44 | -76.4 | 166.4 | 0 | 0 | 0 | 111.1 | ||||
| 480 | C | 26.1 | Very low | 27 | Very low | 103 Ų | 103 | 145 Ų | 145 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | trans | 49.1 | 119.6 | 155.8 | -65.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 481 | K | 24.6 | Very low | 27.2 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | 62.2 | 134 | 79.9 | -66.9 | 176.2 | 176.8 | -176 | 0 | 113.2 | |||||
| 482 | M | 25.7 | Very low | 27.5 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 70% | 0.7 | 77% | 0.769 | S | S | * | * | cis | -164.7 | 170.8 | 4.4 | -105.9 | 154 | 65.3 | 0 | 0 | 106.5 | ||||
| 483 | D | 29 | Very low | 27.3 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | cis | -147 | 150.6 | 9.2 | -97.5 | -46.5 | 0 | 0 | 0 | 107.4 | ||||
| 484 | N | 25.6 | Very low | 27.3 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | 71.6 | 138 | 74.3 | -65.7 | -41.1 | 0 | 0 | 0 | 117.2 | |||||
| 485 | G | 28.9 | Very low | 27.2 | Very low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | trans | 103.8 | 96.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 486 | E | 29.9 | Very low | 27.3 | Very low | 190 Ų | 190 | 136 Ų | 136 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | 74.7 | 131.8 | 82 | -70.5 | 164.8 | -164.7 | 0 | 0 | 113.2 | |||||
| 487 | E | 28.3 | Very low | 27.3 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | cis | -152.1 | -179.5 | 0.6 | -138.7 | 178.4 | -167.4 | 0 | 0 | 112 | ||||
| 488 | S | 22.7 | Very low | 27.4 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -90 | 158.6 | -165.9 | 59.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 489 | I | 29.2 | Very low | 27.4 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 89% | 0.892 | 77% | 0.768 | S | S | * | * | -152.3 | 141 | 128.5 | -97.2 | 149.5 | 0 | 0 | 0 | 107.6 | |||||
| 490 | S | 22.7 | Very low | 27.4 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -127.7 | 151.6 | -171.1 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 491 | E | 30 | Very low | 27.5 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -159.2 | 128.3 | 146.8 | -118.9 | 164.1 | -149.9 | 0 | 0 | 113.1 | ||||
| 492 | T | 30.7 | Very low | 27.7 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | 25.5 | 100.4 | 157.2 | 49.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 493 | T | 25.2 | Very low | 28 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | 79.2 | 115.2 | 75.5 | 59.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 494 | G | 26.8 | Very low | 28.3 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 179.7 | 117.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 495 | N | 25.1 | Very low | 28.6 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 93% | 0.925 | 72% | 0.721 | S | S | * | * | trans | -75.4 | 136.8 | -172.6 | -71.4 | -15.1 | 0 | 0 | 0 | 112.1 | ||||
| 496 | V | 29.8 | Very low | 28.8 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 78% | 0.782 | 71% | 0.712 | S | S | * | * | trans | -141 | 125.1 | 172 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 497 | P | 28.3 | Very low | 29.2 | Very low | 94 Ų | 94 | 123.4 Ų | 123.4 | 61% | 0.61 | 69% | 0.693 | S | S | * | * | trans | -67.6 | 161.4 | 175 | -22.1 | 34.6 | 0 | 0 | 0 | 114.3 | ||||
| 498 | Y | 30.4 | Very low | 29.6 | Very low | 245 Ų | 245 | 117.1 Ų | 117.1 | 96% | 0.961 | 67% | 0.67 | S | S | * | * | trans | -77.5 | 140.7 | 171.7 | -61.4 | -107.5 | 0 | 0 | 0 | 110 | ||||
| 499 | G | 27.9 | Very low | 30.4 | Very low | 65 Ų | 65 | 118.1 Ų | 118.1 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | cis | 161.9 | 142.5 | -9.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 500 | N | 28.3 | Very low | 30.9 | Very low | 145 Ų | 145 | 115.6 Ų | 115.6 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | trans | -130.5 | 57.8 | 168.6 | -109.1 | -35.6 | 0 | 0 | 0 | 109.6 | S502 | N500-S502 PolarHBondContact O-N 3.27Š| ||
| 501 | F | 28.2 | Very low | 31.7 | Very low | 172 Ų | 172 | 119.5 Ų | 119.5 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | trans | -80 | 118.1 | -165.3 | -159.8 | -144.6 | 0 | 0 | 0 | 111.8 | S505 | F501-S505 WeakPolarHBondContact CD1-OG 3.32Š| ||
| 502 | S | 29.8 | Very low | 31.8 | Very low | 65 Ų | 65 | 117.7 Ų | 117.7 | 46% | 0.455 | 66% | 0.655 | S | S | . | * | trans | -43.2 | 146.7 | -170.6 | 67.7 | 0 | 0 | 0 | 0 | 116 | N500 I504 S505 | N500-S502 PolarHBondContact O-N 3.27Å; S502-I504 PolarHBondContact O-N 3.38Å; S502-S505 WeakPolarHBondContact O-CB 3.3Å; S502-S505 PolarHBondContact O-N 2.71Å; S502-S505 PolarHBondContact O-OG 2.84Å | ||
| 503 | L | 31.9 | Very low | 32 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -46.1 | -22.1 | 176.2 | -90.6 | 163 | 0 | 0 | 0 | 116.1 | S505 I507 | L503-S505 PolarHBondContact O-N 3.46Å; L503-I507 WeakPolarHBondContact O-CD1 3.45Å; L503-I507 VanDerWaalsContact O-CG1 3.31Å; L503-I507 WeakPolarHBondContact O-CG1 3.28Å |
| 504 | I | 34.4 | Very low | 32.4 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.1 | -26.6 | 176.7 | -58.4 | 175.5 | 0 | 0 | 0 | 111.4 | S502 S508 | S502-I504 PolarHBondContact O-N 3.38Å; I504-S508 PolarHBondContact O-N 3.24Å |
| 505 | S | 33 | Very low | 32.6 | Very low | 14 Ų | 14 | 130.3 Ų | 130.3 | 10% | 0.098 | 67% | 0.671 | C | S | . | * | H | α-helix | trans | -85.5 | -38.7 | -179.1 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | F501 S502 L503 I507 S508 V509 | F501-S505 WeakPolarHBondContact CD1-OG 3.32Å; S502-S505 WeakPolarHBondContact O-CB 3.3Å; S502-S505 PolarHBondContact O-N 2.71Å; S502-S505 PolarHBondContact O-OG 2.84Å; L503-S505 PolarHBondContact O-N 3.46Å; S505-I507 PolarHBondContact O-N 3.16Å; S505-S508 WeakPolarHBondContact CA-OG 3.29Å; S505-S508 CarbonylContact O-C 3.58Å; S505-S508 WeakPolarHBondContact O-CA 3.43Å; S505-S508 PolarHBondContact O-N 2.66Å; S505-S508 PolarHBondContact O-OG 2.82Å; S505-V509 PolarHBondContact O-N 3Å |
| 506 | T | 32.7 | Very low | 32.9 | Very low | 71 Ų | 71 | 125.4 Ų | 125.4 | 44% | 0.436 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -61.6 | -36.5 | 175.3 | -13 | 0 | 0 | 0 | 0 | 110.5 | S508 V509 L510 | T506-S508 VanDerWaalsContact C-N 3.29Å; T506-S508 PolarHBondContact O-N 3.29Å; T506-V509 PolarHBondContact O-N 3.46Å; T506-L510 PolarHBondContact O-N 3.32Å |
| 507 | I | 37.2 | Very low | 33.5 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 50% | 0.503 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -67.4 | -24.6 | 171.3 | -64.4 | 170.7 | 0 | 0 | 0 | 112.4 | L503 S505 | L503-I507 WeakPolarHBondContact O-CD1 3.45Å; L503-I507 VanDerWaalsContact O-CG1 3.31Å; L503-I507 WeakPolarHBondContact O-CG1 3.28Å; S505-I507 PolarHBondContact O-N 3.16Å |
| 508 | S | 38.3 | Very low | 34.5 | Very low | 55 Ų | 55 | 131.3 Ų | 131.3 | 39% | 0.385 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -83.8 | -28.4 | 172 | 70.4 | 0 | 0 | 0 | 0 | 114 | I504 S505 T506 R511 | I504-S508 PolarHBondContact O-N 3.24Å; S505-S508 WeakPolarHBondContact CA-OG 3.29Å; S505-S508 CarbonylContact O-C 3.58Å; S505-S508 WeakPolarHBondContact O-CA 3.43Å; S505-S508 PolarHBondContact O-N 2.66Å; S505-S508 PolarHBondContact O-OG 2.82Å; T506-S508 VanDerWaalsContact C-N 3.29Å; T506-S508 PolarHBondContact O-N 3.29Å; S508-R511 WeakPolarHBondContact O-CB 3.46Å; S508-R511 PolarHBondContact O-N 3.21Å |
| 509 | V | 38.1 | Very low | 35.8 | Very low | 113 Ų | 113 | 124 Ų | 124 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.5 | -42.3 | 175.1 | 178 | 0 | 0 | 0 | 0 | 111.3 | S505 T506 R511 | S505-V509 PolarHBondContact O-N 3Å; T506-V509 PolarHBondContact O-N 3.46Å; V509-R511 PolarHBondContact O-N 3.1Å |
| 510 | L | 39.2 | Very low | 37.9 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 63% | 0.634 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -65 | -7.4 | 172.2 | -70.9 | 173.3 | 0 | 0 | 0 | 113.9 | T506 N512 | T506-L510 PolarHBondContact O-N 3.32Å; L510-N512 PolarHBondContact O-N 3.05Å |
| 511 | R | 40.2 | Very low | 40.1 | Very low | 187 Ų | 187 | 118.8 Ų | 118.8 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -72 | -25 | -174.3 | -150.9 | 176.7 | -163.4 | 134.6 | -2.1 | 113.8 | S508 V509 | S508-R511 WeakPolarHBondContact O-CB 3.46Å; S508-R511 PolarHBondContact O-N 3.21Å; V509-R511 PolarHBondContact O-N 3.1Å |
| 512 | N | 33 | Very low | 42.4 | Very low | 147 Ų | 147 | 112.6 Ų | 112.6 | 79% | 0.786 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -92.9 | -5.3 | -170.2 | -77.9 | 0.9 | 0 | 0 | 0 | 115.4 | L510 | L510-N512 PolarHBondContact O-N 3.05Š|
| 513 | Q | 33.5 | Very low | 44.8 | Very low | 171 Ų | 171 | 114.3 Ų | 114.3 | 80% | 0.799 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -105.8 | 12.2 | -172.6 | -73.8 | -167.6 | -14.7 | 0 | 0 | 116.5 | ||
| 514 | K | 35.4 | Very low | 47.2 | Very low | 197 Ų | 197 | 113.2 Ų | 113.2 | 86% | 0.857 | 58% | 0.58 | S | S | * | * | trans | -131.9 | 74 | 176.9 | -73.5 | -172.7 | 176.8 | 176.5 | 0 | 114.5 | ||||
| 515 | K | 29.8 | Very low | 49.4 | Very low | 218 Ų | 218 | 107 Ų | 107 | 95% | 0.948 | 55% | 0.548 | S | S | * | . | trans | -63.7 | 126.6 | 156.2 | -67.3 | 178.9 | 178.7 | 176.6 | 0 | 108.4 | ||||
| 516 | G | 32.2 | Very low | 51.7 | Low | 71 Ų | 71 | 109.4 Ų | 109.4 | 73% | 0.732 | 56% | 0.559 | S | S | * | * | trans | 165.7 | -21.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | K518 | G516-K518 PolarHBondContact O-N 3.13Š| ||
| 517 | I | 41.5 | Very low | 54.2 | Low | 132 Ų | 132 | 111.7 Ų | 111.7 | 68% | 0.677 | 56% | 0.563 | S | S | * | * | trans | -94.2 | 98.5 | -172.2 | -49 | 175 | 0 | 0 | 0 | 111.5 | I519 | I517-I519 VanDerWaalsContact C-N 3.28Å; I517-I519 WeakPolarHBondContact CG2-O 3.38Å; I517-I519 PolarHBondContact O-N 3.37Å | ||
| 518 | K | 48.8 | Very low | 56.5 | Low | 215 Ų | 215 | 109.5 Ų | 109.5 | 94% | 0.935 | 55% | 0.552 | S | S | * | * | trans | -74.9 | 0.2 | 178.5 | -77.5 | -170.9 | 174.2 | -176.3 | 0 | 115.9 | G516 | G516-K518 PolarHBondContact O-N 3.13Š| ||
| 519 | I | 58.9 | Low | 58.8 | Low | 91 Ų | 91 | 107 Ų | 107 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -133.5 | 135.2 | -175.6 | -59.2 | 177.3 | 0 | 0 | 0 | 109 | I517 L523 R524 | I517-I519 VanDerWaalsContact C-N 3.28Å; I517-I519 WeakPolarHBondContact CG2-O 3.38Å; I517-I519 PolarHBondContact O-N 3.37Å; I519-L523 HydrophobicContact CG2-CB 4.19Å; I519-L523 HydrophobicContact CG2-CD2 4.21Å; I519-L523 HydrophobicContact CG2-CG 4.3Å; I519-R524 HydrophobicContact CG2-CB 4.39Å |
| 520 | S | 71.7 | Confident | 61.1 | Low | 59 Ų | 59 | 109.7 Ų | 109.7 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | trans | -60 | 139.2 | 178.1 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | T522 L523 R524 | S520-T522 PolarHBondContact O-N 2.99Å; S520-T522 VanDerWaalsContact O-N 3.12Å; S520-L523 PolarHBondContact O-N 2.98Å; S520-L523 VanDerWaalsContact O-N 3.14Å; S520-L523 VanDerWaalsContact OG-CB 3.3Å; S520-L523 WeakPolarHBondContact OG-CB 3.38Å; S520-R524 PolarHBondContact O-N 3.45Å; S520-R524 VanDerWaalsContact O-N 3.11Å | ||
| 521 | P | 75.2 | Confident | 63.5 | Low | 41 Ų | 41 | 108 Ų | 108 | 27% | 0.266 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -50.6 | -38.9 | 178.8 | -32.1 | 37.4 | 0 | 0 | 0 | 113.5 | R524 I525 A828 K829 L832 | P521-R524 PolarHBondContact O-N 2.84Å; P521-I525 PolarHBondContact O-N 2.81Å; P521-I525 VanDerWaalsContact O-N 3.11Å; P521-A828 HydrophobicContact CB-CB 4.09Å; P521-K829 HydrophobicContact CG-CB 4.49Å; P521-L832 HydrophobicContact CB-CD1 3.92Å; P521-L832 WeakPolarHBondContact O-CD1 3.35Å |
| 522 | T | 76 | Confident | 65.8 | Low | 42 Ų | 42 | 100.1 Ų | 100.1 | 26% | 0.258 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -47.7 | 179.6 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | S520 R524 I525 L526 I653 | S520-T522 PolarHBondContact O-N 2.99Å; S520-T522 VanDerWaalsContact O-N 3.12Å; T522-R524 VanDerWaalsContact C-N 3.29Å; T522-R524 PolarHBondContact O-N 2.86Å; T522-I525 PolarHBondContact O-N 3.36Å; T522-L526 PolarHBondContact O-N 3.31Å; T522-I653 HydrophobicContact CG2-CD1 3.35Å |
| 523 | L | 79.5 | Confident | 68.5 | Low | 101 Ų | 101 | 97.7 Ų | 97.7 | 53% | 0.529 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.9 | -34.2 | 177.8 | -177.3 | 59.2 | 0 | 0 | 0 | 111.6 | I519 S520 L526 K527 | I519-L523 HydrophobicContact CG2-CB 4.19Å; I519-L523 HydrophobicContact CG2-CD2 4.21Å; I519-L523 HydrophobicContact CG2-CG 4.3Å; S520-L523 PolarHBondContact O-N 2.98Å; S520-L523 VanDerWaalsContact O-N 3.14Å; S520-L523 VanDerWaalsContact OG-CB 3.3Å; S520-L523 WeakPolarHBondContact OG-CB 3.38Å; L523-L526 HydrophobicContact CD1-CD2 4.49Å; L523-L526 PolarHBondContact O-N 3.42Å; L523-K527 PolarHBondContact O-N 2.86Å; L523-K527 VanDerWaalsContact O-N 3.07Å |
| 524 | R | 82.6 | Confident | 71.2 | Confident | 99 Ų | 99 | 93.5 Ų | 93.5 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 175.4 | -175.5 | 171.8 | 178 | -158.4 | -7.3 | 112.6 | I519 S520 P521 T522 K527 L832 D836 | I519-R524 HydrophobicContact CG2-CB 4.39Å; S520-R524 PolarHBondContact O-N 3.45Å; S520-R524 VanDerWaalsContact O-N 3.11Å; P521-R524 PolarHBondContact O-N 2.84Å; T522-R524 VanDerWaalsContact C-N 3.29Å; T522-R524 PolarHBondContact O-N 2.86Å; R524-K527 WeakPolarHBondContact O-CB 3.4Å; R524-K527 PolarHBondContact O-N 2.92Å; R524-L832 HydrophobicContact CB-CD1 4.14Å; R524-L832 HydrophobicContact CG-CD1 4.29Å; R524-L832 HydrophobicContact CG-CD2 4.17Å; R524-D836 IonicContact CZ-OD1 3.18Å; R524-D836 IonicContact CZ-OD2 2.74Å; R524-D836 IonicContact NH1-OD1 2.67Å; R524-D836 PolarHBondContact NH1-OD1 2.76Å; R524-D836 IonicContact NH1-OD2 2.86Å; R524-D836 PolarHBondContact NH1-OD2 3.43Å; R524-D836 IonicContact NH2-OD1 2.6Å; R524-D836 PolarHBondContact NH2-OD1 2.92Å; R524-D836 IonicContact NH2-OD2 3.21Å |
| 525 | I | 81.6 | Confident | 73.9 | Confident | 4 Ų | 4 | 85.8 Ų | 85.8 | 2% | 0.021 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -72.6 | -38.9 | 172.8 | -65.1 | -172.2 | 0 | 0 | 0 | 111.6 | P521 T522 K527 L528 I613 V650 A828 I831 L832 | P521-I525 PolarHBondContact O-N 2.81Å; P521-I525 VanDerWaalsContact O-N 3.11Å; T522-I525 PolarHBondContact O-N 3.36Å; I525-K527 PolarHBondContact O-N 3.44Å; I525-K527 VanDerWaalsContact O-N 3.14Å; I525-L528 HydrophobicContact CG2-CD1 4.36Å; I525-L528 VanDerWaalsContact O-CB 3.24Å; I525-L528 WeakPolarHBondContact O-CB 3.37Å; I525-L528 PolarHBondContact O-N 3.38Å; I525-I613 HydrophobicContact CG2-CD1 3.75Å; I525-V650 HydrophobicContact CB-CG1 4.46Å; I525-V650 HydrophobicContact CD1-CG1 3.95Å; I525-V650 HydrophobicContact CD1-CG2 4.1Å; I525-V650 HydrophobicContact CG2-CG1 3.6Å; I525-A828 HydrophobicContact CD1-CB 3.55Å; I525-A828 HydrophobicContact CG1-CB 4.37Å; I525-I831 HydrophobicContact CD1-CB 4.41Å; I525-I831 HydrophobicContact CD1-CG2 3.97Å; I525-L832 HydrophobicContact CD1-CG 4.32Å; I525-L832 HydrophobicContact CG1-CD1 4.17Å; I525-L832 HydrophobicContact CG1-CD2 4.3Å; I525-L832 HydrophobicContact CG1-CG 4.12Å |
| 526 | L | 79.8 | Confident | 76.8 | Confident | 64 Ų | 64 | 76.7 Ų | 76.7 | 34% | 0.335 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.5 | -31.4 | 175.1 | -169.1 | 64.9 | 0 | 0 | 0 | 111.7 | T522 L523 L528 N529 | T522-L526 PolarHBondContact O-N 3.31Å; L523-L526 HydrophobicContact CD1-CD2 4.49Å; L523-L526 PolarHBondContact O-N 3.42Å; L526-L528 PolarHBondContact O-N 2.81Å; L526-N529 WeakPolarHBondContact O-CB 3.31Å; L526-N529 PolarHBondContact O-N 3.01Å |
| 527 | K | 86 | Confident | 79.7 | Confident | 120 Ų | 120 | 76.7 Ų | 76.7 | 52% | 0.522 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -60.5 | -22.8 | 171.9 | -159.7 | -179.4 | 178.8 | -178.3 | 0 | 114.1 | L523 R524 I525 N529 R530 | L523-K527 PolarHBondContact O-N 2.86Å; L523-K527 VanDerWaalsContact O-N 3.07Å; R524-K527 WeakPolarHBondContact O-CB 3.4Å; R524-K527 PolarHBondContact O-N 2.92Å; I525-K527 PolarHBondContact O-N 3.44Å; I525-K527 VanDerWaalsContact O-N 3.14Å; K527-N529 VanDerWaalsContact C-N 3.28Å; K527-R530 HydrophobicContact CG-CG 4.47Å; K527-R530 WeakPolarHBondContact O-CB 3.24Å; K527-R530 VanDerWaalsContact O-CG 3.31Å; K527-R530 WeakPolarHBondContact O-CG 3.22Å; K527-R530 PolarHBondContact O-N 3.37Å |
| 528 | L | 85.4 | Confident | 82.2 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -74.6 | -16.7 | 173.6 | -59.7 | 174.9 | 0 | 0 | 0 | 113.1 | I525 L526 R530 L609 R612 I613 | I525-L528 HydrophobicContact CG2-CD1 4.36Å; I525-L528 VanDerWaalsContact O-CB 3.24Å; I525-L528 WeakPolarHBondContact O-CB 3.37Å; I525-L528 PolarHBondContact O-N 3.38Å; L526-L528 PolarHBondContact O-N 2.81Å; L528-R530 VanDerWaalsContact C-N 3.31Å; L528-L609 HydrophobicContact CB-CD1 4.19Å; L528-R612 PolarHBondContact O-NH1 3.01Å; L528-I613 HydrophobicContact CD1-CG1 4.46Å |
| 529 | N | 85.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.011 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -87.3 | 1.6 | 175.8 | -151.4 | 4.5 | 0 | 0 | 0 | 112.7 | L526 K527 P531 E532 I536 S605 L609 S654 | L526-N529 WeakPolarHBondContact O-CB 3.31Å; L526-N529 PolarHBondContact O-N 3.01Å; K527-N529 VanDerWaalsContact C-N 3.28Å; N529-P531 VanDerWaalsContact C-CD 3.41Å; N529-P531 VanDerWaalsContact C-N 3.35Å; N529-E532 PolarHBondContact O-N 3.29Å; N529-E532 WeakPolarHBondContact OD1-CB 3.44Å; N529-E532 WeakPolarHBondContact OD1-CG 3.38Å; N529-I536 HydrophobicContact CB-CD1 4.34Å; N529-S605 PolarHBondContact ND2-OG 2.88Å; N529-S605 PolarHBondContact OD1-OG 3.05Å; N529-L609 HydrophobicContact CB-CD1 4.06Å; N529-L609 HydrophobicContact CB-CD2 4.14Å; N529-S654 PolarHBondContact ND2-OG 3.3Å; N529-S654 VanDerWaalsContact ND2-OG 3.17Å |
| 530 | R | 87 | Confident | 85.9 | Confident | 169 Ų | 169 | 61.4 Ų | 61.4 | 64% | 0.638 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -49.9 | -39.1 | 178.5 | -87.7 | -178.2 | 170 | -155.6 | -5.1 | 115.5 | K527 L528 E532 L533 | K527-R530 HydrophobicContact CG-CG 4.47Å; K527-R530 WeakPolarHBondContact O-CB 3.24Å; K527-R530 VanDerWaalsContact O-CG 3.31Å; K527-R530 WeakPolarHBondContact O-CG 3.22Å; K527-R530 PolarHBondContact O-N 3.37Å; L528-R530 VanDerWaalsContact C-N 3.31Å; R530-E532 PolarHBondContact O-N 3.3Å; R530-L533 WeakPolarHBondContact O-CB 3.36Å; R530-L533 PolarHBondContact O-N 2.76Å |
| 531 | P | 89.5 | Confident | 86.9 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 56% | 0.558 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -64.3 | -26.6 | 178.3 | -22.6 | 34.5 | 0 | 0 | 0 | 113.5 | N529 L533 | N529-P531 VanDerWaalsContact C-CD 3.41Å; N529-P531 VanDerWaalsContact C-N 3.35Å; P531-L533 VanDerWaalsContact C-N 3.31Å |
| 532 | E | 90 | Very high | 87.8 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -90.6 | 7.8 | 179.6 | -38.8 | -44 | 133.9 | 0 | 0 | 112.8 | N529 R530 P534 L535 I536 I608 R612 | N529-E532 PolarHBondContact O-N 3.29Å; N529-E532 WeakPolarHBondContact OD1-CB 3.44Å; N529-E532 WeakPolarHBondContact OD1-CG 3.38Å; R530-E532 PolarHBondContact O-N 3.3Å; E532-P534 VanDerWaalsContact C-CD 3.43Å; E532-L535 HydrophobicContact CB-CD1 4.35Å; E532-L535 WeakPolarHBondContact O-CA 3.49Å; E532-L535 WeakPolarHBondContact O-CB 3.25Å; E532-L535 PolarHBondContact O-N 2.82Å; E532-I536 PolarHBondContact O-N 2.86Å; E532-I608 HydrophobicContact CG-CB 4.49Å; E532-I608 HydrophobicContact CG-CG2 4.17Å; E532-R612 IonicContact OE1-CZ 3.22Å; E532-R612 VanDerWaalsContact OE1-CZ 3.24Å; E532-R612 IonicContact OE1-NH1 3.28Å; E532-R612 PolarHBondContact OE1-NH1 2.82Å; E532-R612 IonicContact OE1-NH2 3.04Å; E532-R612 PolarHBondContact OE1-NH2 3.16Å |
| 533 | L | 88.7 | Confident | 88.5 | Confident | 95 Ų | 95 | 59.7 Ų | 59.7 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -50.6 | -40 | -178.4 | -169.6 | 148.3 | 0 | 0 | 0 | 115 | R530 P531 L535 I536 V537 | R530-L533 WeakPolarHBondContact O-CB 3.36Å; R530-L533 PolarHBondContact O-N 2.76Å; P531-L533 VanDerWaalsContact C-N 3.31Å; L533-L535 VanDerWaalsContact C-N 3.34Å; L533-L535 PolarHBondContact O-N 3.26Å; L533-I536 PolarHBondContact O-N 2.82Å; L533-V537 HydrophobicContact CD2-CG2 3.84Å; L533-V537 HydrophobicContact CG-CG2 4.46Å; L533-V537 WeakPolarHBondContact O-CG2 3.22Å; L533-V537 PolarHBondContact O-N 3.04Å |
| 534 | P | 91.1 | Very high | 89.1 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 54% | 0.539 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 173.9 | 23.7 | -34.1 | 0 | 0 | 0 | 113.2 | E532 V537 L538 | E532-P534 VanDerWaalsContact C-CD 3.43Å; P534-V537 PolarHBondContact O-N 2.8Å; P534-L538 VanDerWaalsContact O-CG 3.32Å; P534-L538 WeakPolarHBondContact O-CG 3.43Å; P534-L538 PolarHBondContact O-N 3.29Å |
| 535 | L | 91.7 | Very high | 89.6 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 18% | 0.183 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 173.3 | -64.2 | 168.6 | 0 | 0 | 0 | 110.4 | E532 L533 V537 L538 G539 F601 K604 | E532-L535 HydrophobicContact CB-CD1 4.35Å; E532-L535 WeakPolarHBondContact O-CA 3.49Å; E532-L535 WeakPolarHBondContact O-CB 3.25Å; E532-L535 PolarHBondContact O-N 2.82Å; L533-L535 VanDerWaalsContact C-N 3.34Å; L533-L535 PolarHBondContact O-N 3.26Å; L535-V537 PolarHBondContact O-N 3.5Å; L535-L538 PolarHBondContact O-N 2.86Å; L535-G539 PolarHBondContact O-N 3.4Å; L535-F601 HydrophobicContact CD2-CD1 3.86Å; L535-F601 HydrophobicContact CD2-CE1 4.43Å; L535-F601 WeakPolarHBondContact O-CB 3.41Å; L535-K604 HydrophobicContact CD1-CD 4.08Å; L535-K604 HydrophobicContact CD1-CG 4.18Å |
| 536 | I | 90.5 | Very high | 90 | Very high | 28 Ų | 28 | 56 Ų | 56 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 177.4 | -60.1 | 166.6 | 0 | 0 | 0 | 110.7 | N529 E532 L533 G539 C540 F602 | N529-I536 HydrophobicContact CB-CD1 4.34Å; E532-I536 PolarHBondContact O-N 2.86Å; L533-I536 PolarHBondContact O-N 2.82Å; I536-G539 CarbonylContact O-C 3.5Å; I536-G539 WeakPolarHBondContact O-CA 3.2Å; I536-G539 PolarHBondContact O-N 3Å; I536-C540 PolarHBondContact O-N 3.32Å; I536-C540 PolarHBondContact O-SG 2.95Å; I536-F602 HydrophobicContact CG2-CE1 4.03Å; I536-F602 HydrophobicContact CG2-CZ 4.46Å |
| 537 | V | 92.8 | Very high | 90.4 | Very high | 70 Ų | 70 | 53 Ų | 53 | 42% | 0.424 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 178.6 | 170.3 | 0 | 0 | 0 | 0 | 112 | L533 P534 L535 G539 C540 I541 | L533-V537 HydrophobicContact CD2-CG2 3.84Å; L533-V537 HydrophobicContact CG-CG2 4.46Å; L533-V537 WeakPolarHBondContact O-CG2 3.22Å; L533-V537 PolarHBondContact O-N 3.04Å; P534-V537 PolarHBondContact O-N 2.8Å; L535-V537 PolarHBondContact O-N 3.5Å; V537-G539 VanDerWaalsContact C-N 3.32Å; V537-G539 PolarHBondContact O-N 3.19Å; V537-C540 WeakPolarHBondContact O-CB 3.28Å; V537-C540 PolarHBondContact O-N 3.12Å; V537-I541 HydrophobicContact CG1-CD1 4.26Å; V537-I541 WeakPolarHBondContact O-CG1 3.32Å; V537-I541 PolarHBondContact O-N 3.13Å; V537-I541 VanDerWaalsContact O-N 3.1Å |
| 538 | L | 93.6 | Very high | 90.7 | Very high | 81 Ų | 81 | 49.2 Ų | 49.2 | 42% | 0.424 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 173.9 | -71 | 168.8 | 0 | 0 | 0 | 111.5 | P534 L535 I541 C542 F601 | P534-L538 VanDerWaalsContact O-CG 3.32Å; P534-L538 WeakPolarHBondContact O-CG 3.43Å; P534-L538 PolarHBondContact O-N 3.29Å; L535-L538 PolarHBondContact O-N 2.86Å; L538-I541 PolarHBondContact O-N 2.9Å; L538-C542 PolarHBondContact O-N 3.48Å; L538-C542 VanDerWaalsContact O-N 3.13Å; L538-C542 PolarHBondContact O-SG 3.05Å; L538-C542 VanDerWaalsContact O-SG 3.38Å; L538-F601 HydrophobicContact CB-CD1 4.34Å; L538-F601 HydrophobicContact CB-CD2 3.79Å; L538-F601 HydrophobicContact CB-CE1 4.27Å; L538-F601 HydrophobicContact CB-CE2 3.71Å; L538-F601 HydrophobicContact CB-CG 4.12Å; L538-F601 HydrophobicContact CB-CZ 3.97Å; L538-F601 HydrophobicContact CD1-CE1 4.07Å; L538-F601 HydrophobicContact CD1-CZ 4.14Å |
| 539 | G | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -49.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L535 I536 V537 I541 C542 C543 F602 | L535-G539 PolarHBondContact O-N 3.4Å; I536-G539 CarbonylContact O-C 3.5Å; I536-G539 WeakPolarHBondContact O-CA 3.2Å; I536-G539 PolarHBondContact O-N 3Å; V537-G539 VanDerWaalsContact C-N 3.32Å; V537-G539 PolarHBondContact O-N 3.19Å; G539-I541 VanDerWaalsContact C-N 3.3Å; G539-I541 PolarHBondContact O-N 2.82Å; G539-C542 CarbonylContact O-C 3.31Å; G539-C542 WeakPolarHBondContact O-CB 3.44Å; G539-C542 PolarHBondContact O-N 2.96Å; G539-C542 VanDerWaalsContact O-N 3.1Å; G539-C543 PolarHBondContact O-N 2.97Å; G539-C543 PolarHBondContact O-SG 3.04Å; G539-F602 VanDerWaalsContact CA-CE2 3.47Å |
| 540 | C | 92.3 | Very high | 90.9 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -41.1 | 178.5 | -66 | 0 | 0 | 0 | 0 | 112.3 | I536 V537 C543 V544 I662 | I536-C540 PolarHBondContact O-N 3.32Å; I536-C540 PolarHBondContact O-SG 2.95Å; V537-C540 WeakPolarHBondContact O-CB 3.28Å; V537-C540 PolarHBondContact O-N 3.12Å; C540-C543 WeakPolarHBondContact O-CB 3.33Å; C540-C543 PolarHBondContact O-N 2.7Å; C540-V544 WeakPolarHBondContact O-CG2 3.08Å; C540-V544 PolarHBondContact O-N 2.98Å; C540-I662 HydrophobicContact CB-CD1 4.49Å; C540-I662 VanDerWaalsContact SG-CD1 3.53Å |
| 541 | I | 93.7 | Very high | 91.1 | Very high | 91 Ų | 91 | 40.1 Ų | 40.1 | 47% | 0.467 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.8 | -66.8 | 161.1 | 0 | 0 | 0 | 110.1 | V537 L538 G539 C543 V544 I545 | V537-I541 HydrophobicContact CG1-CD1 4.26Å; V537-I541 WeakPolarHBondContact O-CG1 3.32Å; V537-I541 PolarHBondContact O-N 3.13Å; V537-I541 VanDerWaalsContact O-N 3.1Å; L538-I541 PolarHBondContact O-N 2.9Å; G539-I541 VanDerWaalsContact C-N 3.3Å; G539-I541 PolarHBondContact O-N 2.82Å; I541-C543 PolarHBondContact O-N 2.88Å; I541-V544 PolarHBondContact O-N 3.41Å; I541-I545 HydrophobicContact CG2-CD1 3.99Å; I541-I545 WeakPolarHBondContact O-CG1 3.22Å; I541-I545 PolarHBondContact O-N 2.88Å |
| 542 | C | 93.3 | Very high | 91.2 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 11% | 0.108 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -36.4 | 175 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | L538 G539 I545 S546 S597 Q598 | L538-C542 PolarHBondContact O-N 3.48Å; L538-C542 VanDerWaalsContact O-N 3.13Å; L538-C542 PolarHBondContact O-SG 3.05Å; L538-C542 VanDerWaalsContact O-SG 3.38Å; G539-C542 CarbonylContact O-C 3.31Å; G539-C542 WeakPolarHBondContact O-CB 3.44Å; G539-C542 PolarHBondContact O-N 2.96Å; G539-C542 VanDerWaalsContact O-N 3.1Å; C542-I545 PolarHBondContact O-N 3.07Å; C542-S546 WeakPolarHBondContact O-CB 3.28Å; C542-S546 PolarHBondContact O-N 3.25Å; C542-S597 WeakPolarHBondContact SG-CB 3.42Å; C542-Q598 HydrophobicContact CB-CB 3.77Å |
| 543 | C | 91.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 173.5 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | G539 C540 I541 S546 G547 Q598 F602 G659 I662 E663 | G539-C543 PolarHBondContact O-N 2.97Å; G539-C543 PolarHBondContact O-SG 3.04Å; C540-C543 WeakPolarHBondContact O-CB 3.33Å; C540-C543 PolarHBondContact O-N 2.7Å; I541-C543 PolarHBondContact O-N 2.88Å; C543-S546 PolarHBondContact O-N 3.37Å; C543-G547 PolarHBondContact O-N 3.17Å; C543-Q598 PolarHBondContact SG-OE1 3.33Å; C543-F602 WeakPolarHBondContact SG-CE2 3.4Å; C543-G659 WeakPolarHBondContact SG-CA 3.44Å; C543-G659 PolarHBondContact SG-O 3.35Å; C543-I662 HydrophobicContact CB-CB 4.06Å; C543-I662 HydrophobicContact CB-CG2 3.66Å; C543-E663 HydrophobicContact CB-CB 4.47Å |
| 544 | V | 92.7 | Very high | 91 | Very high | 69 Ų | 69 | 32.8 Ų | 32.8 | 42% | 0.418 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64 | -44.4 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | C540 I541 G547 T548 I662 A666 | C540-V544 WeakPolarHBondContact O-CG2 3.08Å; C540-V544 PolarHBondContact O-N 2.98Å; I541-V544 PolarHBondContact O-N 3.41Å; V544-G547 PolarHBondContact O-N 3.25Å; V544-T548 HydrophobicContact CG1-CG2 4.43Å; V544-T548 WeakPolarHBondContact O-CG2 3.41Å; V544-T548 PolarHBondContact O-N 2.83Å; V544-I662 HydrophobicContact CG2-CG2 4.42Å; V544-A666 HydrophobicContact CB-CB 4.46Å; V544-A666 HydrophobicContact CG2-CB 4.22Å |
| 545 | I | 92.7 | Very high | 91 | Very high | 57 Ų | 57 | 31 Ų | 31 | 29% | 0.292 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 174 | -66.1 | 166.1 | 0 | 0 | 0 | 111.1 | I541 C542 G547 T548 T549 L590 A594 | I541-I545 HydrophobicContact CG2-CD1 3.99Å; I541-I545 WeakPolarHBondContact O-CG1 3.22Å; I541-I545 PolarHBondContact O-N 2.88Å; C542-I545 PolarHBondContact O-N 3.07Å; I545-G547 PolarHBondContact O-N 3.27Å; I545-T548 PolarHBondContact O-N 3.2Å; I545-T548 PolarHBondContact O-OG1 2.74Å; I545-T549 VanDerWaalsContact O-CG2 3.24Å; I545-T549 WeakPolarHBondContact O-CG2 3.35Å; I545-L590 HydrophobicContact CG2-CD1 3.83Å; I545-L590 HydrophobicContact CG2-CD2 4.05Å; I545-L590 HydrophobicContact CG2-CG 3.77Å; I545-A594 HydrophobicContact CB-CB 4.41Å; I545-A594 HydrophobicContact CG2-CB 3.94Å |
| 546 | S | 89.5 | Confident | 91 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 177.3 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | C542 C543 T548 T549 N595 E663 | C542-S546 WeakPolarHBondContact O-CB 3.28Å; C542-S546 PolarHBondContact O-N 3.25Å; C543-S546 PolarHBondContact O-N 3.37Å; S546-T548 PolarHBondContact O-N 2.97Å; S546-T549 WeakPolarHBondContact O-CB 3.44Å; S546-T549 PolarHBondContact O-N 2.95Å; S546-T549 VanDerWaalsContact O-N 3.15Å; S546-T549 PolarHBondContact O-OG1 3.42Å; S546-N595 PolarHBondContact OG-ND2 3Å; S546-E663 WeakPolarHBondContact CB-OE2 3.17Å; S546-E663 PolarHBondContact OG-OE2 3.26Å |
| 547 | G | 89.2 | Confident | 90.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C543 V544 I545 T549 P551 | C543-G547 PolarHBondContact O-N 3.17Å; V544-G547 PolarHBondContact O-N 3.25Å; I545-G547 PolarHBondContact O-N 3.27Å; G547-T549 PolarHBondContact O-N 3.37Å; G547-P551 VanDerWaalsContact O-CD 3.24Å; G547-P551 WeakPolarHBondContact O-CD 3.47Å |
| 548 | T | 90.7 | Very high | 90.6 | Very high | 41 Ų | 41 | 26.4 Ų | 26.4 | 25% | 0.252 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -70.5 | -15.2 | 176 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | V544 I545 S546 Q550 P551 A552 M670 | V544-T548 HydrophobicContact CG1-CG2 4.43Å; V544-T548 WeakPolarHBondContact O-CG2 3.41Å; V544-T548 PolarHBondContact O-N 2.83Å; I545-T548 PolarHBondContact O-N 3.2Å; I545-T548 PolarHBondContact O-OG1 2.74Å; S546-T548 PolarHBondContact O-N 2.97Å; T548-Q550 PolarHBondContact O-N 3.47Å; T548-P551 WeakPolarHBondContact O-CD 3.3Å; T548-A552 WeakPolarHBondContact O-CB 2.95Å; T548-A552 PolarHBondContact O-N 3.33Å; T548-M670 HydrophobicContact CG2-CE 4.43Å; T548-M670 HydrophobicContact CG2-CG 3.77Å; T548-M670 HydrophobicContact CG2-SD 4.38Å |
| 549 | T | 89.5 | Confident | 90.4 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.1 | -28.3 | -177.7 | 68.6 | 0 | 0 | 0 | 0 | 114.2 | I545 S546 G547 F553 I587 R591 | I545-T549 VanDerWaalsContact O-CG2 3.24Å; I545-T549 WeakPolarHBondContact O-CG2 3.35Å; S546-T549 WeakPolarHBondContact O-CB 3.44Å; S546-T549 PolarHBondContact O-N 2.95Å; S546-T549 VanDerWaalsContact O-N 3.15Å; S546-T549 PolarHBondContact O-OG1 3.42Å; G547-T549 PolarHBondContact O-N 3.37Å; T549-F553 VanDerWaalsContact O-CB 3.29Å; T549-F553 WeakPolarHBondContact O-CB 3.19Å; T549-F553 PolarHBondContact O-N 3.37Å; T549-I587 HydrophobicContact CG2-CG2 4Å; T549-R591 HydrophobicContact CG2-CB 3.92Å; T549-R591 HydrophobicContact CG2-CG 4.22Å; T549-R591 WeakPolarHBondContact OG1-CD 2.94Å |
| 550 | Q | 86.6 | Confident | 90.1 | Very high | 30 Ų | 30 | 24.9 Ų | 24.9 | 14% | 0.14 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -75.6 | -44.4 | 177.5 | -41.5 | -173 | 12.8 | 0 | 0 | 113.2 | T548 A552 F553 A554 L667 S810 | T548-Q550 PolarHBondContact O-N 3.47Å; Q550-A552 VanDerWaalsContact C-N 3.31Å; Q550-A552 PolarHBondContact O-N 3.41Å; Q550-F553 WeakPolarHBondContact O-CB 3.43Å; Q550-F553 PolarHBondContact O-N 3.21Å; Q550-A554 PolarHBondContact O-N 3.48Å; Q550-L667 HydrophobicContact CB-CD1 3.74Å; Q550-L667 HydrophobicContact CG-CD1 4.03Å; Q550-S810 PolarHBondContact NE2-OG 2.9Å; Q550-S810 PolarHBondContact OE1-OG 3.04Å |
| 551 | P | 90.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.013 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.9 | -39.5 | 172.4 | -24.2 | 35.6 | 0 | 0 | 0 | 111.7 | G547 T548 A554 I555 L667 M670 V674 T803 | G547-P551 VanDerWaalsContact O-CD 3.24Å; G547-P551 WeakPolarHBondContact O-CD 3.47Å; T548-P551 WeakPolarHBondContact O-CD 3.3Å; P551-A554 WeakPolarHBondContact O-CB 3.24Å; P551-A554 PolarHBondContact O-N 3.24Å; P551-I555 WeakPolarHBondContact O-CG1 3.46Å; P551-I555 PolarHBondContact O-N 3.1Å; P551-L667 HydrophobicContact CG-CD1 3.92Å; P551-M670 HydrophobicContact CB-CB 4.42Å; P551-M670 HydrophobicContact CG-CB 3.91Å; P551-V674 HydrophobicContact CB-CG2 4.37Å; P551-T803 HydrophobicContact CB-CG2 4.29Å |
| 552 | A | 91.4 | Very high | 89.4 | Confident | 29 Ų | 29 | 22.1 Ų | 22.1 | 24% | 0.24 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.2 | -37.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T548 Q550 I555 L556 I587 | T548-A552 WeakPolarHBondContact O-CB 2.95Å; T548-A552 PolarHBondContact O-N 3.33Å; Q550-A552 VanDerWaalsContact C-N 3.31Å; Q550-A552 PolarHBondContact O-N 3.41Å; A552-I555 PolarHBondContact O-N 3.42Å; A552-L556 WeakPolarHBondContact O-CG 3.34Å; A552-L556 PolarHBondContact O-N 2.91Å; A552-I587 HydrophobicContact CB-CD1 3.68Å |
| 553 | F | 88.2 | Confident | 89 | Confident | 20 Ų | 20 | 21.4 Ų | 21.4 | 9% | 0.088 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 169.3 | 177.6 | -107.2 | 0 | 0 | 0 | 112 | F122 T125 F150 T549 Q550 I555 L556 Y557 L806 | F122-F553 AromaticContact CD1-CD2 3.77Å; F122-F553 HydrophobicContact CD1-CD2 3.77Å; F122-F553 HydrophobicContact CD1-CE2 4.35Å; F122-F553 HydrophobicContact CE1-CB 3.73Å; F122-F553 AromaticContact CE1-CD2 3.42Å; F122-F553 HydrophobicContact CE1-CD2 3.42Å; F122-F553 VanDerWaalsContact CE1-CD2 3.42Å; F122-F553 HydrophobicContact CE1-CE2 4.39Å; F122-F553 AromaticContact CE1-CG 3.96Å; F122-F553 HydrophobicContact CE1-CG 3.96Å; F122-F553 HydrophobicContact CZ-CB 3.82Å; F122-F553 HydrophobicContact CZ-CD2 4.03Å; F122-F553 HydrophobicContact CZ-CG 4.21Å; T125-F553 HydrophobicContact CG2-CE2 3.93Å; T125-F553 HydrophobicContact CG2-CZ 4.22Å; F150-F553 HydrophobicContact CZ-CZ 4.19Å; T549-F553 VanDerWaalsContact O-CB 3.29Å; T549-F553 WeakPolarHBondContact O-CB 3.19Å; T549-F553 PolarHBondContact O-N 3.37Å; Q550-F553 WeakPolarHBondContact O-CB 3.43Å; Q550-F553 PolarHBondContact O-N 3.21Å; F553-I555 VanDerWaalsContact C-N 3.32Å; F553-I555 PolarHBondContact O-N 2.9Å; F553-L556 PolarHBondContact O-N 2.88Å; F553-Y557 WeakPolarHBondContact O-CB 3.08Å; F553-Y557 PolarHBondContact O-N 3.49Å; F553-L806 HydrophobicContact CD1-CD1 4.37Å |
| 554 | A | 87.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q550 P551 T558 V802 T803 L806 | Q550-A554 PolarHBondContact O-N 3.48Å; P551-A554 WeakPolarHBondContact O-CB 3.24Å; P551-A554 PolarHBondContact O-N 3.24Å; A554-T558 VanDerWaalsContact O-CG2 3.22Å; A554-T558 WeakPolarHBondContact O-CG2 3.34Å; A554-T558 PolarHBondContact O-N 3.44Å; A554-T558 PolarHBondContact O-OG1 3.15Å; A554-T558 VanDerWaalsContact O-OG1 3.09Å; A554-V802 HydrophobicContact CB-CB 4.38Å; A554-V802 HydrophobicContact CB-CG1 3.8Å; A554-T803 WeakPolarHBondContact CB-OG1 3.43Å; A554-L806 HydrophobicContact CB-CD1 4.41Å |
| 555 | I | 90.9 | Very high | 88.2 | Confident | 44 Ų | 44 | 24.5 Ų | 24.5 | 23% | 0.226 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61 | -53.5 | 175.3 | -63.4 | 169.7 | 0 | 0 | 0 | 110.9 | P551 A552 F553 Y557 T558 E559 V674 Y678 | P551-I555 WeakPolarHBondContact O-CG1 3.46Å; P551-I555 PolarHBondContact O-N 3.1Å; A552-I555 PolarHBondContact O-N 3.42Å; F553-I555 VanDerWaalsContact C-N 3.32Å; F553-I555 PolarHBondContact O-N 2.9Å; I555-Y557 PolarHBondContact O-N 3.49Å; I555-T558 PolarHBondContact O-N 3.19Å; I555-T558 PolarHBondContact O-OG1 2.99Å; I555-E559 PolarHBondContact O-N 2.8Å; I555-V674 HydrophobicContact CD1-CG1 3.82Å; I555-V674 HydrophobicContact CD1-CG2 4Å; I555-V674 HydrophobicContact CG1-CG1 3.95Å; I555-Y678 HydrophobicContact CG1-CE2 4.48Å |
| 556 | L | 90.8 | Very high | 87.6 | Confident | 20 Ų | 20 | 23.3 Ų | 23.3 | 11% | 0.105 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.9 | -38.5 | -179.3 | -65.8 | -177.1 | 0 | 0 | 0 | 113.1 | A552 F553 E559 V580 M583 M584 I587 | A552-L556 WeakPolarHBondContact O-CG 3.34Å; A552-L556 PolarHBondContact O-N 2.91Å; F553-L556 PolarHBondContact O-N 2.88Å; L556-E559 WeakPolarHBondContact O-CB 3.26Å; L556-E559 PolarHBondContact O-N 3.45Å; L556-V580 HydrophobicContact CB-CG1 4.28Å; L556-V580 HydrophobicContact CD2-CG1 4.31Å; L556-M583 HydrophobicContact CD1-CB 3.67Å; L556-M583 HydrophobicContact CD2-CB 3.98Å; L556-M583 HydrophobicContact CD2-SD 4.03Å; L556-M584 VanDerWaalsContact C-CE 3.47Å; L556-M584 HydrophobicContact CB-CE 3.82Å; L556-M584 HydrophobicContact CB-CG 3.98Å; L556-M584 HydrophobicContact CD1-CB 4.43Å; L556-M584 HydrophobicContact CD1-CG 3.77Å; L556-M584 WeakPolarHBondContact O-CE 3.38Å; L556-I587 HydrophobicContact CD1-CD1 3.63Å; L556-I587 HydrophobicContact CG-CD1 4.47Å |
| 557 | Y | 87 | Confident | 86.9 | Confident | 17 Ų | 17 | 28.7 Ų | 28.7 | 7% | 0.067 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -48.2 | 173.7 | 166.8 | -113.7 | 0 | 0 | 0 | 110.7 | F129 F150 F553 I555 E559 M560 Y561 V802 | F129-Y557 AromaticContact CE2-CD2 3.96Å; F129-Y557 HydrophobicContact CE2-CD2 3.96Å; F129-Y557 HydrophobicContact CE2-CE2 4.13Å; F129-Y557 HydrophobicContact CZ-CD2 4.04Å; F129-Y557 AromaticContact CZ-CE2 3.85Å; F129-Y557 HydrophobicContact CZ-CE2 3.85Å; F150-Y557 HydrophobicContact CD1-CD2 4.22Å; F150-Y557 AromaticContact CD1-CE2 3.4Å; F150-Y557 HydrophobicContact CD1-CE2 3.4Å; F150-Y557 VanDerWaalsContact CD1-CE2 3.4Å; F150-Y557 AromaticContact CE1-CD2 3.66Å; F150-Y557 HydrophobicContact CE1-CD2 3.66Å; F150-Y557 AromaticContact CE1-CE2 3.17Å; F150-Y557 HydrophobicContact CE1-CE2 3.17Å; F150-Y557 AromaticContact CE1-CZ 3.84Å; F150-Y557 HydrophobicContact CG-CE2 4.48Å; F150-Y557 HydrophobicContact CZ-CD2 4.18Å; F150-Y557 HydrophobicContact CZ-CE2 4.11Å; F553-Y557 WeakPolarHBondContact O-CB 3.08Å; F553-Y557 PolarHBondContact O-N 3.49Å; I555-Y557 PolarHBondContact O-N 3.49Å; Y557-E559 VanDerWaalsContact C-N 3.27Å; Y557-E559 PolarHBondContact O-N 2.9Å; Y557-M560 WeakPolarHBondContact O-CB 3.43Å; Y557-M560 PolarHBondContact O-N 3.31Å; Y557-Y561 HydrophobicContact CE1-CE2 4.2Å; Y557-Y561 PolarHBondContact OH-OH 3.43Å; Y557-V802 HydrophobicContact CD1-CG1 4.13Å; Y557-V802 HydrophobicContact CD1-CG2 4.26Å; Y557-V802 HydrophobicContact CE1-CG1 4.43Å; Y557-V802 HydrophobicContact CE1-CG2 3.96Å |
| 558 | T | 88.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.6 | -22.4 | 178.4 | 61.8 | 0 | 0 | 0 | 0 | 114 | A554 I555 M560 Y561 F798 R799 V802 | A554-T558 VanDerWaalsContact O-CG2 3.22Å; A554-T558 WeakPolarHBondContact O-CG2 3.34Å; A554-T558 PolarHBondContact O-N 3.44Å; A554-T558 PolarHBondContact O-OG1 3.15Å; A554-T558 VanDerWaalsContact O-OG1 3.09Å; I555-T558 PolarHBondContact O-N 3.19Å; I555-T558 PolarHBondContact O-OG1 2.99Å; T558-M560 PolarHBondContact O-N 2.87Å; T558-Y561 HydrophobicContact CG2-CE2 4.43Å; T558-Y561 WeakPolarHBondContact O-CB 3.49Å; T558-Y561 WeakPolarHBondContact O-CD2 3.47Å; T558-Y561 PolarHBondContact O-N 3.22Å; T558-F798 HydrophobicContact CG2-CB 4.06Å; T558-R799 HydrophobicContact CG2-CG 3.94Å; T558-R799 WeakPolarHBondContact OG1-CG 3.39Å; T558-R799 PolarHBondContact OG1-NE 3.23Å; T558-V802 HydrophobicContact CG2-CG2 4.46Å |
| 559 | E | 88.8 | Confident | 86.1 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.6 | -25.2 | 174 | -164.1 | 56.8 | -151.6 | 0 | 0 | 111.9 | I555 L556 Y557 Y561 S562 V580 R799 | I555-E559 PolarHBondContact O-N 2.8Å; L556-E559 WeakPolarHBondContact O-CB 3.26Å; L556-E559 PolarHBondContact O-N 3.45Å; Y557-E559 VanDerWaalsContact C-N 3.27Å; Y557-E559 PolarHBondContact O-N 2.9Å; E559-Y561 PolarHBondContact O-N 2.93Å; E559-S562 WeakPolarHBondContact O-CA 3.2Å; E559-S562 WeakPolarHBondContact O-CB 3.31Å; E559-S562 PolarHBondContact O-N 2.88Å; E559-S562 PolarHBondContact O-OG 2.89Å; E559-S562 VanDerWaalsContact O-OG 3.09Å; E559-S562 VanDerWaalsContact OE1-CB 3.28Å; E559-S562 WeakPolarHBondContact OE1-CB 3.43Å; E559-S562 PolarHBondContact OE1-OG 2.78Å; E559-V580 HydrophobicContact CB-CG1 4.42Å; E559-V580 HydrophobicContact CB-CG2 4.49Å; E559-V580 HydrophobicContact CG-CG2 3.98Å; E559-R799 IonicContact OE2-CZ 3.18Å; E559-R799 IonicContact OE2-NH2 2.64Å; E559-R799 PolarHBondContact OE2-NH2 3.25Å |
| 560 | M | 86.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.7 | -31.9 | 170.9 | -60.2 | -61.6 | -176 | 0 | 0 | 112.1 | F129 F133 Y557 T558 S562 I563 L577 V580 M584 | F129-M560 HydrophobicContact CB-CE 3.79Å; F129-M560 HydrophobicContact CB-CG 4.5Å; F129-M560 HydrophobicContact CB-SD 4.02Å; F129-M560 HydrophobicContact CD1-CB 3.98Å; F129-M560 HydrophobicContact CD1-CG 3.83Å; F129-M560 HydrophobicContact CD1-SD 4.23Å; F129-M560 HydrophobicContact CD2-CE 4.16Å; F129-M560 HydrophobicContact CD2-CG 4Å; F129-M560 HydrophobicContact CE1-CB 3.85Å; F129-M560 HydrophobicContact CE1-CG 4Å; F129-M560 HydrophobicContact CE2-CG 4.17Å; F129-M560 HydrophobicContact CG-CB 4.5Å; F129-M560 HydrophobicContact CG-CE 4.01Å; F129-M560 HydrophobicContact CG-CG 3.84Å; F129-M560 HydrophobicContact CG-SD 4.01Å; F129-M560 HydrophobicContact CZ-CB 4.26Å; F129-M560 HydrophobicContact CZ-CG 4.17Å; F133-M560 HydrophobicContact CE2-CB 4.35Å; F133-M560 HydrophobicContact CE2-SD 4.14Å; F133-M560 WeakPolarHBondContact CZ-O 3.44Å; Y557-M560 WeakPolarHBondContact O-CB 3.43Å; Y557-M560 PolarHBondContact O-N 3.31Å; T558-M560 PolarHBondContact O-N 2.87Å; M560-S562 PolarHBondContact O-N 3.05Å; M560-I563 PolarHBondContact O-N 3.03Å; M560-I563 VanDerWaalsContact O-N 3.15Å; M560-I563 HydrophobicContact SD-CD1 4.14Å; M560-L577 HydrophobicContact CE-CD1 4.26Å; M560-L577 HydrophobicContact SD-CD1 3.74Å; M560-V580 HydrophobicContact CE-CB 4.22Å; M560-V580 HydrophobicContact CE-CG1 3.59Å; M560-V580 HydrophobicContact SD-CG1 4.08Å; M560-M584 HydrophobicContact CE-CE 3.64Å; M560-M584 HydrophobicContact CE-SD 3.82Å; M560-M584 HydrophobicContact CG-CE 4.42Å |
| 561 | Y | 85.9 | Confident | 85.7 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 18% | 0.176 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -22.3 | 173.9 | -58.6 | -70.1 | 0 | 0 | 0 | 113.3 | V147 Y557 T558 E559 I563 F564 P565 F798 | V147-Y561 HydrophobicContact CG1-CE1 4.04Å; V147-Y561 WeakPolarHBondContact CG1-OH 3.42Å; V147-Y561 HydrophobicContact CG2-CD1 4.4Å; V147-Y561 HydrophobicContact CG2-CE1 3.62Å; Y557-Y561 HydrophobicContact CE1-CE2 4.2Å; Y557-Y561 PolarHBondContact OH-OH 3.43Å; T558-Y561 HydrophobicContact CG2-CE2 4.43Å; T558-Y561 WeakPolarHBondContact O-CB 3.49Å; T558-Y561 WeakPolarHBondContact O-CD2 3.47Å; T558-Y561 PolarHBondContact O-N 3.22Å; E559-Y561 PolarHBondContact O-N 2.93Å; Y561-I563 VanDerWaalsContact C-N 3.26Å; Y561-F564 HydrophobicContact CD1-CD2 4.15Å; Y561-F564 AromaticContact CD1-CE2 3.77Å; Y561-F564 HydrophobicContact CD1-CE2 3.77Å; Y561-F564 HydrophobicContact CE1-CE2 4.33Å; Y561-P565 WeakPolarHBondContact O-CD 3.48Å; Y561-F798 HydrophobicContact CD2-CB 4.36Å; Y561-F798 HydrophobicContact CD2-CD2 4.16Å; Y561-F798 HydrophobicContact CD2-CG 4.36Å; Y561-F798 HydrophobicContact CE2-CB 4.25Å; Y561-F798 HydrophobicContact CE2-CD2 4.31Å; Y561-F798 HydrophobicContact CE2-CG 4.17Å; Y561-F798 HydrophobicContact CG-CD2 4.43Å |
| 562 | S | 84.9 | Confident | 85.6 | Confident | 25 Ų | 25 | 47 Ų | 47 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75 | -18.2 | 174.5 | 99.3 | 0 | 0 | 0 | 0 | 112.5 | E559 M560 L795 | E559-S562 WeakPolarHBondContact O-CA 3.2Å; E559-S562 WeakPolarHBondContact O-CB 3.31Å; E559-S562 PolarHBondContact O-N 2.88Å; E559-S562 PolarHBondContact O-OG 2.89Å; E559-S562 VanDerWaalsContact O-OG 3.09Å; E559-S562 VanDerWaalsContact OE1-CB 3.28Å; E559-S562 WeakPolarHBondContact OE1-CB 3.43Å; E559-S562 PolarHBondContact OE1-OG 2.78Å; M560-S562 PolarHBondContact O-N 3.05Å; S562-L795 VanDerWaalsContact CB-CD1 3.49Å |
| 563 | I | 86.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -89.6 | -29.6 | -174.9 | -57.5 | 177.4 | 0 | 0 | 0 | 111.6 | F133 M560 Y561 L566 L573 R576 L577 V580 | F133-I563 HydrophobicContact CD1-CG2 4.02Å; F133-I563 HydrophobicContact CE1-CB 3.91Å; F133-I563 HydrophobicContact CE1-CG2 3.52Å; F133-I563 HydrophobicContact CE2-CB 4.47Å; F133-I563 HydrophobicContact CE2-CG2 4.4Å; F133-I563 HydrophobicContact CZ-CB 3.72Å; F133-I563 HydrophobicContact CZ-CG2 3.75Å; M560-I563 PolarHBondContact O-N 3.03Å; M560-I563 VanDerWaalsContact O-N 3.15Å; M560-I563 HydrophobicContact SD-CD1 4.14Å; Y561-I563 VanDerWaalsContact C-N 3.26Å; I563-L566 WeakPolarHBondContact O-CB 3.49Å; I563-L566 PolarHBondContact O-N 3.4Å; I563-L573 HydrophobicContact CG2-CD1 4.46Å; I563-L573 HydrophobicContact CG2-CD2 4.48Å; I563-L573 HydrophobicContact CG2-CG 3.79Å; I563-R576 HydrophobicContact CD1-CB 4.43Å; I563-L577 HydrophobicContact CD1-CB 4.31Å; I563-L577 HydrophobicContact CD1-CD1 4.2Å; I563-V580 HydrophobicContact CD1-CG2 4.24Å |
| 564 | F | 84 | Confident | 85.4 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -55 | -43 | 177.5 | -62.6 | -57.8 | 0 | 0 | 0 | 114.1 | F133 I136 A143 I146 V147 Y561 L566 R567 | F133-F564 HydrophobicContact CD1-CD1 4.33Å; F133-F564 HydrophobicContact CD1-CE1 4.45Å; F133-F564 AromaticContact CE1-CD1 3.35Å; F133-F564 HydrophobicContact CE1-CD1 3.35Å; F133-F564 AromaticContact CE1-CE1 3.63Å; F133-F564 HydrophobicContact CE1-CE1 3.63Å; F133-F564 HydrophobicContact CE1-CG 4.13Å; F133-F564 HydrophobicContact CE2-CE1 4.1Å; F133-F564 HydrophobicContact CE2-CZ 4.48Å; F133-F564 AromaticContact CZ-CD1 3.49Å; F133-F564 HydrophobicContact CZ-CD1 3.49Å; F133-F564 VanDerWaalsContact CZ-CD1 3.49Å; F133-F564 AromaticContact CZ-CE1 3.4Å; F133-F564 HydrophobicContact CZ-CE1 3.4Å; F133-F564 VanDerWaalsContact CZ-CE1 3.4Å; F133-F564 HydrophobicContact CZ-CG 4.1Å; F133-F564 AromaticContact CZ-CZ 3.97Å; F133-F564 HydrophobicContact CZ-CZ 3.97Å; I136-F564 HydrophobicContact CD1-CD1 3.62Å; I136-F564 HydrophobicContact CD1-CE1 3.68Å; A143-F564 HydrophobicContact CB-CB 4.4Å; A143-F564 HydrophobicContact CB-CD1 3.49Å; A143-F564 VanDerWaalsContact CB-CD1 3.49Å; A143-F564 HydrophobicContact CB-CD2 4.14Å; A143-F564 HydrophobicContact CB-CE1 3.63Å; A143-F564 HydrophobicContact CB-CE2 4.28Å; A143-F564 HydrophobicContact CB-CG 3.78Å; A143-F564 HydrophobicContact CB-CZ 4.04Å; I146-F564 HydrophobicContact CD1-CE1 4.39Å; V147-F564 HydrophobicContact CG2-CE2 3.87Å; V147-F564 HydrophobicContact CG2-CZ 3.85Å; Y561-F564 HydrophobicContact CD1-CD2 4.15Å; Y561-F564 AromaticContact CD1-CE2 3.77Å; Y561-F564 HydrophobicContact CD1-CE2 3.77Å; Y561-F564 HydrophobicContact CE1-CE2 4.33Å; F564-L566 PolarHBondContact O-N 3.47Å; F564-R567 PolarHBondContact O-N 3.36Å |
| 565 | P | 82.3 | Confident | 85.5 | Confident | 99 Ų | 99 | 50.5 Ų | 50.5 | 64% | 0.643 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -66 | -15.8 | 175.5 | -22.6 | 35.3 | 0 | 0 | 0 | 114.9 | Y561 R567 | Y561-P565 WeakPolarHBondContact O-CD 3.48Å; P565-R567 PolarHBondContact O-N 2.97Å |
| 566 | L | 81.1 | Confident | 85.4 | Confident | 32 Ų | 32 | 53.7 Ų | 53.7 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -81.1 | 5.1 | -179.4 | -59.3 | 176.1 | 0 | 0 | 0 | 113.5 | I563 F564 S568 N569 L572 L573 | I563-L566 WeakPolarHBondContact O-CB 3.49Å; I563-L566 PolarHBondContact O-N 3.4Å; F564-L566 PolarHBondContact O-N 3.47Å; L566-S568 PolarHBondContact O-N 2.87Å; L566-N569 PolarHBondContact O-N 3.21Å; L566-L572 HydrophobicContact CD2-CD2 4.3Å; L566-L573 HydrophobicContact CB-CB 4.32Å |
| 567 | R | 74 | Confident | 85.4 | Confident | 114 Ų | 114 | 52.8 Ų | 52.8 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -48.9 | -31.5 | -179.5 | 179.1 | 176.9 | 165.6 | 174.1 | -7.8 | 114.3 | I136 D140 F564 P565 N569 | I136-R567 HydrophobicContact CG2-CG 4.4Å; D140-R567 IonicContact OD1-CZ 3.16Å; D140-R567 IonicContact OD1-NH1 2.71Å; D140-R567 PolarHBondContact OD1-NH1 2.9Å; D140-R567 IonicContact OD1-NH2 3.19Å; D140-R567 PolarHBondContact OD1-NH2 3.2Å; D140-R567 IonicContact OD2-CZ 2.72Å; D140-R567 IonicContact OD2-NH1 2.79Å; D140-R567 IonicContact OD2-NH2 2.78Å; D140-R567 PolarHBondContact OD2-NH2 2.79Å; F564-R567 PolarHBondContact O-N 3.36Å; P565-R567 PolarHBondContact O-N 2.97Å; R567-N569 PolarHBondContact O-N 2.79Å |
| 568 | S | 78.1 | Confident | 85.6 | Confident | 104 Ų | 104 | 55.6 Ų | 55.6 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -65.2 | -22.1 | 177.1 | -52.1 | 0 | 0 | 0 | 0 | 114.5 | L566 | L566-S568 PolarHBondContact O-N 2.87Š|
| 569 | N | 85.4 | Confident | 85.8 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | trans | -125 | 82.3 | -175.4 | -69.6 | -42.1 | 0 | 0 | 0 | 110 | L566 R567 D571 L572 L573 | L566-N569 PolarHBondContact O-N 3.21Å; R567-N569 PolarHBondContact O-N 2.79Å; N569-D571 VanDerWaalsContact C-N 3.32Å; N569-D571 PolarHBondContact O-N 3.43Å; N569-L572 HydrophobicContact CB-CB 4.06Å; N569-L572 PolarHBondContact O-N 3.33Å; N569-L573 PolarHBondContact O-N 3.13Å | ||
| 570 | P | 81.4 | Confident | 85.9 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.7 | -36.4 | -169.7 | 22.4 | -33.5 | 0 | 0 | 0 | 113.7 | V137 L573 F574 | V137-P570 HydrophobicContact CG1-CB 4.29Å; P570-L573 WeakPolarHBondContact O-CB 3.43Å; P570-L573 PolarHBondContact O-N 2.85Å; P570-F574 VanDerWaalsContact O-CD2 3.27Å; P570-F574 WeakPolarHBondContact O-CD2 3.46Å; P570-F574 PolarHBondContact O-N 2.88Å |
| 571 | D | 85.6 | Confident | 86.1 | Confident | 136 Ų | 136 | 57.9 Ų | 57.9 | 73% | 0.727 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.8 | -39.9 | 179.8 | -53.7 | -57.2 | 0 | 0 | 0 | 112.2 | N569 S575 | N569-D571 VanDerWaalsContact C-N 3.32Å; N569-D571 PolarHBondContact O-N 3.43Å; D571-S575 WeakPolarHBondContact O-CB 3.43Å; D571-S575 PolarHBondContact O-N 2.86Å |
| 572 | L | 87.6 | Confident | 86.4 | Confident | 71 Ų | 71 | 57.2 Ų | 57.2 | 37% | 0.372 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 174.9 | -178.5 | 61.4 | 0 | 0 | 0 | 111.3 | L566 N569 R576 | L566-L572 HydrophobicContact CD2-CD2 4.3Å; N569-L572 HydrophobicContact CB-CB 4.06Å; N569-L572 PolarHBondContact O-N 3.33Å; L572-R576 HydrophobicContact CD1-CG 4.35Å; L572-R576 WeakPolarHBondContact O-CG 3.49Å; L572-R576 PolarHBondContact O-N 3.44Å |
| 573 | L | 87.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -55 | 174.5 | 179.7 | 156.6 | 0 | 0 | 0 | 110.7 | F133 V137 I563 L566 N569 P570 S575 R576 L577 | F133-L573 HydrophobicContact CB-CD2 4.28Å; F133-L573 HydrophobicContact CD1-CD1 4.25Å; F133-L573 HydrophobicContact CD1-CD2 4.11Å; F133-L573 HydrophobicContact CD1-CG 4.37Å; F133-L573 HydrophobicContact CG-CD2 4.49Å; V137-L573 HydrophobicContact CG2-CD1 4.26Å; V137-L573 HydrophobicContact CG2-CD2 4.25Å; I563-L573 HydrophobicContact CG2-CD1 4.46Å; I563-L573 HydrophobicContact CG2-CD2 4.48Å; I563-L573 HydrophobicContact CG2-CG 3.79Å; L566-L573 HydrophobicContact CB-CB 4.32Å; N569-L573 PolarHBondContact O-N 3.13Å; P570-L573 WeakPolarHBondContact O-CB 3.43Å; P570-L573 PolarHBondContact O-N 2.85Å; L573-S575 PolarHBondContact O-N 2.87Å; L573-R576 PolarHBondContact O-N 3.45Å; L573-L577 WeakPolarHBondContact O-CB 3.43Å; L573-L577 PolarHBondContact O-N 3.5Å |
| 574 | F | 88.1 | Confident | 87 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 22% | 0.219 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 179.5 | -77.9 | -64.5 | 0 | 0 | 0 | 112.6 | W130 K134 V137 P570 L577 T578 | W130-F574 AromaticContact CH2-CD1 3.95Å; W130-F574 HydrophobicContact CH2-CD1 3.95Å; W130-F574 HydrophobicContact CZ2-CD1 4.45Å; W130-F574 HydrophobicContact CZ3-CD1 4.2Å; K134-F574 HydrophobicContact CB-CE1 4.36Å; K134-F574 HydrophobicContact CB-CZ 4.43Å; V137-F574 HydrophobicContact CB-CE2 4.31Å; V137-F574 HydrophobicContact CB-CZ 4.33Å; V137-F574 HydrophobicContact CG1-CE2 4.17Å; V137-F574 HydrophobicContact CG2-CE2 4.09Å; V137-F574 HydrophobicContact CG2-CZ 4.19Å; P570-F574 VanDerWaalsContact O-CD2 3.27Å; P570-F574 WeakPolarHBondContact O-CD2 3.46Å; P570-F574 PolarHBondContact O-N 2.88Å; F574-L577 HydrophobicContact CD1-CD2 4.18Å; F574-L577 HydrophobicContact CE1-CD2 4.43Å; F574-L577 PolarHBondContact O-N 2.91Å; F574-T578 WeakPolarHBondContact O-CB 3.24Å; F574-T578 PolarHBondContact O-N 2.91Å; F574-T578 PolarHBondContact O-OG1 2.92Å |
| 575 | S | 89.3 | Confident | 87.3 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.1 | -55 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | D571 L573 L577 T578 V579 | D571-S575 WeakPolarHBondContact O-CB 3.43Å; D571-S575 PolarHBondContact O-N 2.86Å; L573-S575 PolarHBondContact O-N 2.87Å; S575-L577 PolarHBondContact O-N 3.34Å; S575-T578 PolarHBondContact O-N 3.43Å; S575-V579 PolarHBondContact O-N 3.48Å |
| 576 | R | 90.3 | Very high | 87.9 | Confident | 111 Ų | 111 | 62.7 Ų | 62.7 | 42% | 0.419 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 177.4 | -71.3 | -168.3 | -174.2 | -165.7 | 0.8 | 112.4 | I563 L572 L573 T578 V579 V580 | I563-R576 HydrophobicContact CD1-CB 4.43Å; L572-R576 HydrophobicContact CD1-CG 4.35Å; L572-R576 WeakPolarHBondContact O-CG 3.49Å; L572-R576 PolarHBondContact O-N 3.44Å; L573-R576 PolarHBondContact O-N 3.45Å; R576-T578 VanDerWaalsContact C-N 3.32Å; R576-T578 PolarHBondContact O-N 3.35Å; R576-V579 PolarHBondContact O-N 2.9Å; R576-V580 WeakPolarHBondContact O-CG2 3.46Å; R576-V580 PolarHBondContact O-N 3.31Å |
| 577 | L | 90.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 178.7 | -177.6 | 67.4 | 0 | 0 | 0 | 112.1 | W130 F133 M560 I563 L573 F574 S575 V579 V580 C581 | W130-L577 HydrophobicContact CD2-CD2 4.44Å; W130-L577 HydrophobicContact CE3-CD2 3.61Å; W130-L577 HydrophobicContact CE3-CG 3.71Å; W130-L577 HydrophobicContact CZ3-CB 4.27Å; W130-L577 HydrophobicContact CZ3-CD2 3.88Å; W130-L577 HydrophobicContact CZ3-CG 3.95Å; F133-L577 HydrophobicContact CB-CD2 3.43Å; F133-L577 VanDerWaalsContact CB-CD2 3.43Å; F133-L577 HydrophobicContact CD2-CD1 3.42Å; F133-L577 VanDerWaalsContact CD2-CD1 3.42Å; F133-L577 HydrophobicContact CD2-CD2 3.94Å; F133-L577 HydrophobicContact CD2-CG 4.31Å; F133-L577 HydrophobicContact CE2-CD1 3.84Å; F133-L577 HydrophobicContact CG-CD1 4.13Å; F133-L577 HydrophobicContact CG-CD2 3.84Å; M560-L577 HydrophobicContact CE-CD1 4.26Å; M560-L577 HydrophobicContact SD-CD1 3.74Å; I563-L577 HydrophobicContact CD1-CB 4.31Å; I563-L577 HydrophobicContact CD1-CD1 4.2Å; L573-L577 WeakPolarHBondContact O-CB 3.43Å; L573-L577 PolarHBondContact O-N 3.5Å; F574-L577 HydrophobicContact CD1-CD2 4.18Å; F574-L577 HydrophobicContact CE1-CD2 4.43Å; F574-L577 PolarHBondContact O-N 2.91Å; S575-L577 PolarHBondContact O-N 3.34Å; L577-V579 VanDerWaalsContact C-N 3.31Å; L577-V579 PolarHBondContact O-N 3.24Å; L577-V580 PolarHBondContact O-N 3.16Å; L577-C581 WeakPolarHBondContact O-CB 3.41Å; L577-C581 PolarHBondContact O-N 3.18Å |
| 578 | T | 90.2 | Very high | 89.3 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 47% | 0.466 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 175.8 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | W130 F574 S575 R576 G582 | W130-T578 VanDerWaalsContact CH2-OG1 3.28Å; W130-T578 WeakPolarHBondContact CH2-OG1 3.42Å; W130-T578 VanDerWaalsContact CZ3-OG1 3.23Å; W130-T578 WeakPolarHBondContact CZ3-OG1 3.3Å; F574-T578 WeakPolarHBondContact O-CB 3.24Å; F574-T578 PolarHBondContact O-N 2.91Å; F574-T578 PolarHBondContact O-OG1 2.92Å; S575-T578 PolarHBondContact O-N 3.43Å; R576-T578 VanDerWaalsContact C-N 3.32Å; R576-T578 PolarHBondContact O-N 3.35Å; T578-G582 PolarHBondContact O-N 3.03Å |
| 579 | V | 92.5 | Very high | 90 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 178.1 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | S575 R576 L577 G582 M583 | S575-V579 PolarHBondContact O-N 3.48Å; R576-V579 PolarHBondContact O-N 2.9Å; L577-V579 VanDerWaalsContact C-N 3.31Å; L577-V579 PolarHBondContact O-N 3.24Å; V579-G582 PolarHBondContact O-N 2.99Å; V579-M583 HydrophobicContact CG1-CE 3.67Å; V579-M583 HydrophobicContact CG1-SD 4.16Å; V579-M583 VanDerWaalsContact O-CG 3.32Å; V579-M583 WeakPolarHBondContact O-CG 3.38Å; V579-M583 PolarHBondContact O-N 3.47Å |
| 580 | V | 91.3 | Very high | 90.4 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | -179.3 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | L556 E559 M560 I563 R576 L577 G582 M583 M584 | L556-V580 HydrophobicContact CB-CG1 4.28Å; L556-V580 HydrophobicContact CD2-CG1 4.31Å; E559-V580 HydrophobicContact CB-CG1 4.42Å; E559-V580 HydrophobicContact CB-CG2 4.49Å; E559-V580 HydrophobicContact CG-CG2 3.98Å; M560-V580 HydrophobicContact CE-CB 4.22Å; M560-V580 HydrophobicContact CE-CG1 3.59Å; M560-V580 HydrophobicContact SD-CG1 4.08Å; I563-V580 HydrophobicContact CD1-CG2 4.24Å; R576-V580 WeakPolarHBondContact O-CG2 3.46Å; R576-V580 PolarHBondContact O-N 3.31Å; L577-V580 PolarHBondContact O-N 3.16Å; V580-G582 VanDerWaalsContact C-N 3.34Å; V580-G582 PolarHBondContact O-N 3Å; V580-M583 PolarHBondContact O-N 2.92Å; V580-M584 HydrophobicContact CG1-CE 4.43Å; V580-M584 WeakPolarHBondContact O-CG 3.4Å; V580-M584 PolarHBondContact O-N 3.3Å |
| 581 | C | 91.3 | Very high | 90.8 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 7% | 0.068 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 173.8 | -74.3 | 0 | 0 | 0 | 0 | 112.1 | A126 L577 M584 L585 | A126-C581 HydrophobicContact CB-CB 4.06Å; A126-C581 PolarHBondContact O-SG 3.36Å; L577-C581 WeakPolarHBondContact O-CB 3.41Å; L577-C581 PolarHBondContact O-N 3.18Å; C581-M584 PolarHBondContact O-N 3.43Å; C581-L585 WeakPolarHBondContact O-CG 3.15Å; C581-L585 PolarHBondContact O-N 2.92Å; C581-L585 VanDerWaalsContact O-N 3.08Å |
| 582 | G | 91.8 | Very high | 91.2 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 32% | 0.32 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T578 V579 V580 M584 L585 V586 | T578-G582 PolarHBondContact O-N 3.03Å; V579-G582 PolarHBondContact O-N 2.99Å; V580-G582 VanDerWaalsContact C-N 3.34Å; V580-G582 PolarHBondContact O-N 3Å; G582-M584 VanDerWaalsContact C-N 3.34Å; G582-M584 PolarHBondContact O-N 2.63Å; G582-L585 PolarHBondContact O-N 2.99Å; G582-V586 WeakPolarHBondContact O-CG2 3.24Å; G582-V586 PolarHBondContact O-N 2.93Å |
| 583 | M | 93 | Very high | 91.5 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 47% | 0.468 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 174.3 | -71.4 | 175.3 | 174.7 | 0 | 0 | 112.1 | L556 V579 V580 L585 V586 I587 | L556-M583 HydrophobicContact CD1-CB 3.67Å; L556-M583 HydrophobicContact CD2-CB 3.98Å; L556-M583 HydrophobicContact CD2-SD 4.03Å; V579-M583 HydrophobicContact CG1-CE 3.67Å; V579-M583 HydrophobicContact CG1-SD 4.16Å; V579-M583 VanDerWaalsContact O-CG 3.32Å; V579-M583 WeakPolarHBondContact O-CG 3.38Å; V579-M583 PolarHBondContact O-N 3.47Å; V580-M583 PolarHBondContact O-N 2.92Å; M583-L585 PolarHBondContact O-N 3.29Å; M583-V586 PolarHBondContact O-N 3.27Å; M583-I587 WeakPolarHBondContact O-CG1 3.36Å; M583-I587 PolarHBondContact O-N 3.44Å |
| 584 | M | 90.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 174.7 | -73.7 | -177.7 | 171.7 | 0 | 0 | 111.9 | F122 T125 A126 L556 M560 V580 C581 G582 I587 G588 | F122-M584 HydrophobicContact CD1-CB 4.4Å; F122-M584 VanDerWaalsContact CD1-O 3.22Å; F122-M584 WeakPolarHBondContact CD1-O 3.44Å; T125-M584 HydrophobicContact CG2-CE 3.92Å; T125-M584 HydrophobicContact CG2-SD 3.67Å; A126-M584 HydrophobicContact CB-CB 4.43Å; L556-M584 VanDerWaalsContact C-CE 3.47Å; L556-M584 HydrophobicContact CB-CE 3.82Å; L556-M584 HydrophobicContact CB-CG 3.98Å; L556-M584 HydrophobicContact CD1-CB 4.43Å; L556-M584 HydrophobicContact CD1-CG 3.77Å; L556-M584 WeakPolarHBondContact O-CE 3.38Å; M560-M584 HydrophobicContact CE-CE 3.64Å; M560-M584 HydrophobicContact CE-SD 3.82Å; M560-M584 HydrophobicContact CG-CE 4.42Å; V580-M584 HydrophobicContact CG1-CE 4.43Å; V580-M584 WeakPolarHBondContact O-CG 3.4Å; V580-M584 PolarHBondContact O-N 3.3Å; C581-M584 PolarHBondContact O-N 3.43Å; G582-M584 VanDerWaalsContact C-N 3.34Å; G582-M584 PolarHBondContact O-N 2.63Å; M584-I587 PolarHBondContact O-N 3.02Å; M584-G588 PolarHBondContact O-N 3.32Å |
| 585 | L | 91.7 | Very high | 91.8 | Very high | 77 Ų | 77 | 49.3 Ų | 49.3 | 40% | 0.403 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.3 | -67.4 | 172.7 | 0 | 0 | 0 | 111.9 | C123 A126 C581 G582 M583 I587 G588 V589 | C123-L585 HydrophobicContact CB-CD2 4.14Å; C123-L585 WeakPolarHBondContact SG-CD2 3.13Å; A126-L585 HydrophobicContact CB-CD2 4.33Å; A126-L585 HydrophobicContact CB-CG 4.31Å; C581-L585 WeakPolarHBondContact O-CG 3.15Å; C581-L585 PolarHBondContact O-N 2.92Å; C581-L585 VanDerWaalsContact O-N 3.08Å; G582-L585 PolarHBondContact O-N 2.99Å; M583-L585 PolarHBondContact O-N 3.29Å; L585-I587 PolarHBondContact O-N 2.89Å; L585-G588 PolarHBondContact O-N 3.13Å; L585-V589 WeakPolarHBondContact O-CG2 3.49Å; L585-V589 PolarHBondContact O-N 3.24Å |
| 586 | V | 93.6 | Very high | 92 | Very high | 102 Ų | 102 | 47.8 Ų | 47.8 | 62% | 0.618 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61 | -42.7 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | G582 M583 V589 L590 | G582-V586 WeakPolarHBondContact O-CG2 3.24Å; G582-V586 PolarHBondContact O-N 2.93Å; M583-V586 PolarHBondContact O-N 3.27Å; V586-V589 PolarHBondContact O-N 3.34Å; V586-L590 WeakPolarHBondContact O-CB 3.37Å; V586-L590 PolarHBondContact O-N 3.47Å |
| 587 | I | 92.4 | Very high | 92.1 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.1 | -35.9 | 175.8 | -63.7 | -178.5 | 0 | 0 | 0 | 111.3 | F122 T549 A552 L556 M583 M584 L585 L590 R591 | F122-I587 HydrophobicContact CD1-CB 4.41Å; F122-I587 HydrophobicContact CD1-CG2 4.39Å; F122-I587 HydrophobicContact CE1-CB 3.94Å; F122-I587 HydrophobicContact CE1-CG2 3.51Å; F122-I587 HydrophobicContact CE2-CG2 4.43Å; F122-I587 HydrophobicContact CZ-CB 4.42Å; F122-I587 HydrophobicContact CZ-CG2 3.56Å; T549-I587 HydrophobicContact CG2-CG2 4Å; A552-I587 HydrophobicContact CB-CD1 3.68Å; L556-I587 HydrophobicContact CD1-CD1 3.63Å; L556-I587 HydrophobicContact CG-CD1 4.47Å; M583-I587 WeakPolarHBondContact O-CG1 3.36Å; M583-I587 PolarHBondContact O-N 3.44Å; M584-I587 PolarHBondContact O-N 3.02Å; L585-I587 PolarHBondContact O-N 2.89Å; I587-L590 PolarHBondContact O-N 3.08Å; I587-R591 WeakPolarHBondContact O-CB 3.34Å; I587-R591 PolarHBondContact O-N 3.3Å |
| 588 | G | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M584 L585 R591 F592 | M584-G588 PolarHBondContact O-N 3.32Å; L585-G588 PolarHBondContact O-N 3.13Å; G588-R591 PolarHBondContact O-N 2.89Å; G588-F592 PolarHBondContact O-N 2.64Å |
| 589 | V | 93.6 | Very high | 92.2 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L119 L585 V586 R591 F592 V593 | L119-V589 HydrophobicContact CD1-CG2 3.99Å; L585-V589 WeakPolarHBondContact O-CG2 3.49Å; L585-V589 PolarHBondContact O-N 3.24Å; V586-V589 PolarHBondContact O-N 3.34Å; V589-R591 VanDerWaalsContact C-N 3.32Å; V589-R591 PolarHBondContact O-N 2.9Å; V589-F592 WeakPolarHBondContact O-CB 3.32Å; V589-F592 PolarHBondContact O-N 3.23Å; V589-V593 WeakPolarHBondContact O-CG2 3.34Å; V589-V593 PolarHBondContact O-N 3.13Å |
| 590 | L | 93.2 | Very high | 92.2 | Very high | 83 Ų | 83 | 41.2 Ų | 41.2 | 44% | 0.435 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 174.9 | -177.6 | 62.6 | 0 | 0 | 0 | 111.4 | I545 V586 I587 V593 A594 | I545-L590 HydrophobicContact CG2-CD1 3.83Å; I545-L590 HydrophobicContact CG2-CD2 4.05Å; I545-L590 HydrophobicContact CG2-CG 3.77Å; V586-L590 WeakPolarHBondContact O-CB 3.37Å; V586-L590 PolarHBondContact O-N 3.47Å; I587-L590 PolarHBondContact O-N 3.08Å; L590-V593 PolarHBondContact O-N 3.13Å; L590-A594 VanDerWaalsContact O-CB 3.22Å; L590-A594 WeakPolarHBondContact O-CB 3.48Å; L590-A594 PolarHBondContact O-N 2.67Å |
| 591 | R | 90.9 | Very high | 92.3 | Very high | 44 Ų | 44 | 43.1 Ų | 43.1 | 17% | 0.166 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.2 | -168.1 | 177.5 | -176.5 | -164.1 | 0.3 | 112.2 | T549 I587 G588 V589 N595 | T549-R591 HydrophobicContact CG2-CB 3.92Å; T549-R591 HydrophobicContact CG2-CG 4.22Å; T549-R591 WeakPolarHBondContact OG1-CD 2.94Å; I587-R591 WeakPolarHBondContact O-CB 3.34Å; I587-R591 PolarHBondContact O-N 3.3Å; G588-R591 PolarHBondContact O-N 2.89Å; V589-R591 VanDerWaalsContact C-N 3.32Å; V589-R591 PolarHBondContact O-N 2.9Å; R591-N595 WeakPolarHBondContact O-CB 3.37Å; R591-N595 PolarHBondContact O-N 3.18Å; R591-N595 PolarHBondContact O-ND2 3.25Å |
| 592 | F | 92.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 42.7 Ų | 42.7 | 27% | 0.272 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.4 | -52.6 | 175.1 | 175.3 | -94.2 | 0 | 0 | 0 | 111.3 | L119 G588 V589 N595 I596 | L119-F592 HydrophobicContact CB-CB 4.38Å; L119-F592 HydrophobicContact CD2-CD2 4.26Å; L119-F592 HydrophobicContact CD2-CG 4.43Å; G588-F592 PolarHBondContact O-N 2.64Å; V589-F592 WeakPolarHBondContact O-CB 3.32Å; V589-F592 PolarHBondContact O-N 3.23Å; F592-N595 PolarHBondContact O-N 2.75Å; F592-I596 HydrophobicContact CD1-CD1 4Å; F592-I596 HydrophobicContact CD2-CD1 4.46Å; F592-I596 HydrophobicContact CE1-CD1 3.47Å; F592-I596 VanDerWaalsContact CE1-CD1 3.47Å; F592-I596 HydrophobicContact CE2-CD1 3.97Å; F592-I596 HydrophobicContact CG-CD1 4.46Å; F592-I596 HydrophobicContact CZ-CD1 3.45Å; F592-I596 VanDerWaalsContact CZ-CD1 3.45Å; F592-I596 PolarHBondContact O-N 3.26Å; F592-I596 VanDerWaalsContact O-N 3.16Å |
| 593 | V | 94.4 | Very high | 92.2 | Very high | 75 Ų | 75 | 41.5 Ų | 41.5 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.3 | -47.3 | 178.8 | 176 | 0 | 0 | 0 | 0 | 110.8 | V589 L590 N595 I596 S597 | V589-V593 WeakPolarHBondContact O-CG2 3.34Å; V589-V593 PolarHBondContact O-N 3.13Å; L590-V593 PolarHBondContact O-N 3.13Å; V593-N595 VanDerWaalsContact C-N 3.3Å; V593-N595 PolarHBondContact O-N 2.83Å; V593-I596 PolarHBondContact O-N 3.41Å; V593-S597 WeakPolarHBondContact O-CB 3.45Å; V593-S597 PolarHBondContact O-N 2.69Å; V593-S597 PolarHBondContact O-OG 3.21Å; V593-S597 VanDerWaalsContact O-OG 3.07Å |
| 594 | A | 92.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -38.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I545 L590 S597 Q598 | I545-A594 HydrophobicContact CB-CB 4.41Å; I545-A594 HydrophobicContact CG2-CB 3.94Å; L590-A594 VanDerWaalsContact O-CB 3.22Å; L590-A594 WeakPolarHBondContact O-CB 3.48Å; L590-A594 PolarHBondContact O-N 2.67Å; A594-S597 PolarHBondContact O-N 3.4Å; A594-Q598 WeakPolarHBondContact O-CB 3.41Å; A594-Q598 WeakPolarHBondContact O-CG 3.46Å; A594-Q598 PolarHBondContact O-N 2.95Å |
| 595 | N | 90.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68 | -39.9 | 178.6 | -91.8 | -82.2 | 0 | 0 | 0 | 113.3 | N114 S546 R591 F592 V593 Q598 S599 | N114-N595 PolarHBondContact ND2-OD1 3.23Å; S546-N595 PolarHBondContact OG-ND2 3Å; R591-N595 WeakPolarHBondContact O-CB 3.37Å; R591-N595 PolarHBondContact O-N 3.18Å; R591-N595 PolarHBondContact O-ND2 3.25Å; F592-N595 PolarHBondContact O-N 2.75Å; V593-N595 VanDerWaalsContact C-N 3.3Å; V593-N595 PolarHBondContact O-N 2.83Å; N595-Q598 WeakPolarHBondContact O-CG 3.46Å; N595-Q598 PolarHBondContact OD1-NE2 3.46Å; N595-Q598 VanDerWaalsContact OD1-NE2 3.09Å; N595-S599 VanDerWaalsContact O-CB 3.28Å; N595-S599 WeakPolarHBondContact O-CB 3.35Å; N595-S599 PolarHBondContact O-N 3.49Å; N595-S599 PolarHBondContact O-OG 2.96Å |
| 596 | I | 92.8 | Very high | 92.1 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 20% | 0.2 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.6 | -48.3 | 173.9 | -71 | 170.3 | 0 | 0 | 0 | 110.1 | A112 F592 V593 S599 L600 | A112-I596 HydrophobicContact CB-CD1 4.1Å; A112-I596 HydrophobicContact CB-CG1 3.91Å; F592-I596 HydrophobicContact CD1-CD1 4Å; F592-I596 HydrophobicContact CD2-CD1 4.46Å; F592-I596 HydrophobicContact CE1-CD1 3.47Å; F592-I596 VanDerWaalsContact CE1-CD1 3.47Å; F592-I596 HydrophobicContact CE2-CD1 3.97Å; F592-I596 HydrophobicContact CG-CD1 4.46Å; F592-I596 HydrophobicContact CZ-CD1 3.45Å; F592-I596 VanDerWaalsContact CZ-CD1 3.45Å; F592-I596 PolarHBondContact O-N 3.26Å; F592-I596 VanDerWaalsContact O-N 3.16Å; V593-I596 PolarHBondContact O-N 3.41Å; I596-S599 PolarHBondContact O-N 2.71Å; I596-L600 HydrophobicContact CG2-CD1 3.76Å; I596-L600 HydrophobicContact CG2-CG 4.48Å; I596-L600 WeakPolarHBondContact O-CG 3.28Å; I596-L600 PolarHBondContact O-N 3.4Å |
| 597 | S | 92.8 | Very high | 91.9 | Very high | 28 Ų | 28 | 34.3 Ų | 34.3 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.3 | -47.3 | -178.7 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | C542 V593 A594 S599 L600 F601 | C542-S597 WeakPolarHBondContact SG-CB 3.42Å; V593-S597 WeakPolarHBondContact O-CB 3.45Å; V593-S597 PolarHBondContact O-N 2.69Å; V593-S597 PolarHBondContact O-OG 3.21Å; V593-S597 VanDerWaalsContact O-OG 3.07Å; A594-S597 PolarHBondContact O-N 3.4Å; S597-S599 VanDerWaalsContact C-N 3.26Å; S597-S599 PolarHBondContact O-N 3.02Å; S597-L600 PolarHBondContact O-N 3.07Å; S597-F601 WeakPolarHBondContact O-CD2 3.32Å; S597-F601 WeakPolarHBondContact O-CG 3.42Å; S597-F601 PolarHBondContact O-N 3.34Å |
| 598 | Q | 92.5 | Very high | 91.8 | Very high | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -38.5 | 176.4 | 72.9 | -178.4 | -16.5 | 0 | 0 | 111.6 | C542 C543 A594 N595 F601 F602 E663 | C542-Q598 HydrophobicContact CB-CB 3.77Å; C543-Q598 PolarHBondContact SG-OE1 3.33Å; A594-Q598 WeakPolarHBondContact O-CB 3.41Å; A594-Q598 WeakPolarHBondContact O-CG 3.46Å; A594-Q598 PolarHBondContact O-N 2.95Å; N595-Q598 WeakPolarHBondContact O-CG 3.46Å; N595-Q598 PolarHBondContact OD1-NE2 3.46Å; N595-Q598 VanDerWaalsContact OD1-NE2 3.09Å; Q598-F601 PolarHBondContact O-N 3.12Å; Q598-F602 HydrophobicContact CB-CD2 4.45Å; Q598-F602 WeakPolarHBondContact O-CB 3.39Å; Q598-F602 WeakPolarHBondContact O-CD2 3.47Å; Q598-F602 PolarHBondContact O-N 3.35Å; Q598-E663 PolarHBondContact NE2-OE2 3.26Å |
| 599 | S | 91 | Very high | 91.7 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 11% | 0.105 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73 | -33.3 | -179.7 | -56.6 | 0 | 0 | 0 | 0 | 113.1 | V107 G111 N595 I596 S597 G603 | V107-S599 WeakPolarHBondContact CG1-O 3.32Å; G111-S599 WeakPolarHBondContact CA-OG 3.46Å; N595-S599 VanDerWaalsContact O-CB 3.28Å; N595-S599 WeakPolarHBondContact O-CB 3.35Å; N595-S599 PolarHBondContact O-N 3.49Å; N595-S599 PolarHBondContact O-OG 2.96Å; I596-S599 PolarHBondContact O-N 2.71Å; S597-S599 VanDerWaalsContact C-N 3.26Å; S597-S599 PolarHBondContact O-N 3.02Å; S599-G603 WeakPolarHBondContact O-CA 3.26Å; S599-G603 PolarHBondContact O-N 3.11Å |
| 600 | L | 92.7 | Very high | 91.6 | Very high | 73 Ų | 73 | 32.3 Ų | 32.3 | 38% | 0.382 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.1 | -53.6 | 169 | -81.5 | 160.6 | 0 | 0 | 0 | 111.2 | V108 I596 S597 K604 | V108-L600 HydrophobicContact CB-CD2 4.43Å; V108-L600 HydrophobicContact CG1-CD2 4.04Å; V108-L600 HydrophobicContact CG1-CG 4.24Å; V108-L600 HydrophobicContact CG2-CD2 3.44Å; V108-L600 VanDerWaalsContact CG2-CD2 3.44Å; V108-L600 HydrophobicContact CG2-CG 3.87Å; I596-L600 HydrophobicContact CG2-CD1 3.76Å; I596-L600 HydrophobicContact CG2-CG 4.48Å; I596-L600 WeakPolarHBondContact O-CG 3.28Å; I596-L600 PolarHBondContact O-N 3.4Å; S597-L600 PolarHBondContact O-N 3.07Å; L600-K604 VanDerWaalsContact O-CB 3.26Å; L600-K604 WeakPolarHBondContact O-CB 3.42Å; L600-K604 PolarHBondContact O-N 2.83Å |
| 601 | F | 93.1 | Very high | 91.5 | Very high | 51 Ų | 51 | 29.4 Ų | 29.4 | 22% | 0.224 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.6 | -50.5 | -173.7 | -63.2 | -45 | 0 | 0 | 0 | 112.6 | L535 L538 S597 Q598 S605 | L535-F601 HydrophobicContact CD2-CD1 3.86Å; L535-F601 HydrophobicContact CD2-CE1 4.43Å; L535-F601 WeakPolarHBondContact O-CB 3.41Å; L538-F601 HydrophobicContact CB-CD1 4.34Å; L538-F601 HydrophobicContact CB-CD2 3.79Å; L538-F601 HydrophobicContact CB-CE1 4.27Å; L538-F601 HydrophobicContact CB-CE2 3.71Å; L538-F601 HydrophobicContact CB-CG 4.12Å; L538-F601 HydrophobicContact CB-CZ 3.97Å; L538-F601 HydrophobicContact CD1-CE1 4.07Å; L538-F601 HydrophobicContact CD1-CZ 4.14Å; S597-F601 WeakPolarHBondContact O-CD2 3.32Å; S597-F601 WeakPolarHBondContact O-CG 3.42Å; S597-F601 PolarHBondContact O-N 3.34Å; Q598-F601 PolarHBondContact O-N 3.12Å; F601-S605 WeakPolarHBondContact O-CB 3.34Å; F601-S605 PolarHBondContact O-N 2.95Å |
| 602 | F | 91 | Very high | 91.5 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -73.8 | -31.1 | 177.5 | -79 | -66.2 | 0 | 0 | 0 | 113.2 | I536 G539 C543 Q598 G606 G655 L658 I662 | I536-F602 HydrophobicContact CG2-CE1 4.03Å; I536-F602 HydrophobicContact CG2-CZ 4.46Å; G539-F602 VanDerWaalsContact CA-CE2 3.47Å; C543-F602 WeakPolarHBondContact SG-CE2 3.4Å; Q598-F602 HydrophobicContact CB-CD2 4.45Å; Q598-F602 WeakPolarHBondContact O-CB 3.39Å; Q598-F602 WeakPolarHBondContact O-CD2 3.47Å; Q598-F602 PolarHBondContact O-N 3.35Å; F602-G606 PolarHBondContact O-N 3.21Å; F602-G655 WeakPolarHBondContact CD1-O 3.43Å; F602-G655 WeakPolarHBondContact O-CA 3.32Å; F602-L658 HydrophobicContact CE1-CB 4.44Å; F602-L658 HydrophobicContact CE1-CD2 4.16Å; F602-L658 HydrophobicContact CE1-CG 4.29Å; F602-I662 HydrophobicContact CZ-CD1 4.48Å |
| 603 | G | 90.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 6% | 0.062 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S599 G606 G607 | S599-G603 WeakPolarHBondContact O-CA 3.26Å; S599-G603 PolarHBondContact O-N 3.11Å; G603-G606 PolarHBondContact O-N 2.96Å; G603-G607 PolarHBondContact O-N 2.67Å |
| 604 | K | 91.8 | Very high | 91.4 | Very high | 100 Ų | 100 | 24.6 Ų | 24.6 | 44% | 0.435 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -66.5 | -48.9 | 177.4 | -174.3 | 171 | -179.6 | 177.2 | 0 | 112.1 | L104 L535 L600 G606 G607 I608 | L104-K604 HydrophobicContact CD1-CB 4.02Å; L535-K604 HydrophobicContact CD1-CD 4.08Å; L535-K604 HydrophobicContact CD1-CG 4.18Å; L600-K604 VanDerWaalsContact O-CB 3.26Å; L600-K604 WeakPolarHBondContact O-CB 3.42Å; L600-K604 PolarHBondContact O-N 2.83Å; K604-G606 VanDerWaalsContact C-N 3.31Å; K604-G606 PolarHBondContact O-N 3.46Å; K604-G607 PolarHBondContact O-N 2.87Å; K604-I608 HydrophobicContact CD-CD1 4.5Å; K604-I608 HydrophobicContact CG-CD1 3.74Å; K604-I608 HydrophobicContact CG-CG1 4.47Å; K604-I608 WeakPolarHBondContact O-CB 3.35Å; K604-I608 VanDerWaalsContact O-CG1 3.28Å; K604-I608 WeakPolarHBondContact O-CG1 3.43Å; K604-I608 PolarHBondContact O-N 3.38Å |
| 605 | S | 91.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | N529 F601 L609 | N529-S605 PolarHBondContact ND2-OG 2.88Å; N529-S605 PolarHBondContact OD1-OG 3.05Å; F601-S605 WeakPolarHBondContact O-CB 3.34Å; F601-S605 PolarHBondContact O-N 2.95Å; S605-L609 VanDerWaalsContact O-CB 3.28Å; S605-L609 WeakPolarHBondContact O-CB 3.1Å; S605-L609 PolarHBondContact O-N 3.07Å |
| 606 | G | 89.3 | Confident | 91.7 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -50.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | F602 G603 K604 L609 I610 | F602-G606 PolarHBondContact O-N 3.21Å; G603-G606 PolarHBondContact O-N 2.96Å; K604-G606 VanDerWaalsContact C-N 3.31Å; K604-G606 PolarHBondContact O-N 3.46Å; G606-L609 PolarHBondContact O-N 3.32Å; G606-I610 WeakPolarHBondContact O-CG1 3.39Å; G606-I610 PolarHBondContact O-N 2.94Å |
| 607 | G | 89.1 | Confident | 91.7 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 17% | 0.165 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.3 | -50.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G603 K604 L609 I610 S611 | G603-G607 PolarHBondContact O-N 2.67Å; K604-G607 PolarHBondContact O-N 2.87Å; G607-L609 VanDerWaalsContact C-N 3.26Å; G607-L609 PolarHBondContact O-N 3.32Å; G607-I610 PolarHBondContact O-N 2.95Å; G607-S611 VanDerWaalsContact O-CB 3.3Å; G607-S611 WeakPolarHBondContact O-CB 3.49Å; G607-S611 PolarHBondContact O-N 3.34Å |
| 608 | I | 90.9 | Very high | 91.8 | Very high | 23 Ų | 23 | 27.4 Ų | 27.4 | 12% | 0.118 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58 | -39.7 | 176 | -66.5 | 167.6 | 0 | 0 | 0 | 110.8 | E100 E532 K604 R612 | E100-I608 WeakPolarHBondContact OE1-CG1 3.41Å; E532-I608 HydrophobicContact CG-CB 4.49Å; E532-I608 HydrophobicContact CG-CG2 4.17Å; K604-I608 HydrophobicContact CD-CD1 4.5Å; K604-I608 HydrophobicContact CG-CD1 3.74Å; K604-I608 HydrophobicContact CG-CG1 4.47Å; K604-I608 WeakPolarHBondContact O-CB 3.35Å; K604-I608 VanDerWaalsContact O-CG1 3.28Å; K604-I608 WeakPolarHBondContact O-CG1 3.43Å; K604-I608 PolarHBondContact O-N 3.38Å; I608-R612 WeakPolarHBondContact O-CB 3.47Å; I608-R612 PolarHBondContact O-N 2.93Å |
| 609 | L | 89.9 | Confident | 91.9 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 177.9 | -176.2 | 62.5 | 0 | 0 | 0 | 112.5 | L528 N529 S605 G606 G607 R612 I613 T651 | L528-L609 HydrophobicContact CB-CD1 4.19Å; N529-L609 HydrophobicContact CB-CD1 4.06Å; N529-L609 HydrophobicContact CB-CD2 4.14Å; S605-L609 VanDerWaalsContact O-CB 3.28Å; S605-L609 WeakPolarHBondContact O-CB 3.1Å; S605-L609 PolarHBondContact O-N 3.07Å; G606-L609 PolarHBondContact O-N 3.32Å; G607-L609 VanDerWaalsContact C-N 3.26Å; G607-L609 PolarHBondContact O-N 3.32Å; L609-R612 PolarHBondContact O-N 2.95Å; L609-I613 HydrophobicContact CD1-CD1 3.85Å; L609-I613 HydrophobicContact CD1-CG1 4.15Å; L609-I613 HydrophobicContact CG-CD1 3.81Å; L609-I613 HydrophobicContact CG-CG1 4.48Å; L609-I613 WeakPolarHBondContact O-CB 3.48Å; L609-I613 VanDerWaalsContact O-CG1 3.22Å; L609-I613 WeakPolarHBondContact O-CG1 3.37Å; L609-I613 PolarHBondContact O-N 3.14Å; L609-T651 HydrophobicContact CD2-CG2 4.12Å; L609-T651 HydrophobicContact CG-CG2 4.31Å |
| 610 | I | 90.1 | Very high | 92 | Very high | 37 Ų | 37 | 31 Ų | 31 | 19% | 0.19 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.1 | -50.2 | 174.5 | -63 | 170.3 | 0 | 0 | 0 | 109.9 | G606 G607 R612 I613 R614 T651 | G606-I610 WeakPolarHBondContact O-CG1 3.39Å; G606-I610 PolarHBondContact O-N 2.94Å; G607-I610 PolarHBondContact O-N 2.95Å; I610-R612 PolarHBondContact O-N 2.99Å; I610-I613 PolarHBondContact O-N 3.31Å; I610-R614 HydrophobicContact CG2-CG 4.39Å; I610-R614 WeakPolarHBondContact O-CB 3.33Å; I610-R614 WeakPolarHBondContact O-CG 3.4Å; I610-R614 PolarHBondContact O-N 3.3Å; I610-T651 HydrophobicContact CD1-CG2 4.25Å; I610-T651 HydrophobicContact CG1-CG2 3.46Å; I610-T651 VanDerWaalsContact CG1-CG2 3.46Å |
| 611 | S | 91.2 | Very high | 92.1 | Very high | 22 Ų | 22 | 27.6 Ų | 27.6 | 15% | 0.154 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.6 | -49.5 | 179.4 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | E100 G607 R614 L615 | E100-S611 WeakPolarHBondContact OE2-CB 3.32Å; E100-S611 PolarHBondContact OE2-OG 3.04Å; G607-S611 VanDerWaalsContact O-CB 3.3Å; G607-S611 WeakPolarHBondContact O-CB 3.49Å; G607-S611 PolarHBondContact O-N 3.34Å; S611-R614 PolarHBondContact O-N 2.86Å; S611-L615 VanDerWaalsContact O-CB 3.27Å; S611-L615 WeakPolarHBondContact O-CB 3.47Å; S611-L615 PolarHBondContact O-N 3.18Å |
| 612 | R | 92 | Very high | 92.1 | Very high | 66 Ų | 66 | 25.2 Ų | 25.2 | 25% | 0.249 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 177.3 | -176.2 | 177.6 | -67.1 | 153 | 4.5 | 113.5 | L528 E532 I608 L609 I610 K616 | L528-R612 PolarHBondContact O-NH1 3.01Å; E532-R612 IonicContact OE1-CZ 3.22Å; E532-R612 VanDerWaalsContact OE1-CZ 3.24Å; E532-R612 IonicContact OE1-NH1 3.28Å; E532-R612 PolarHBondContact OE1-NH1 2.82Å; E532-R612 IonicContact OE1-NH2 3.04Å; E532-R612 PolarHBondContact OE1-NH2 3.16Å; I608-R612 WeakPolarHBondContact O-CB 3.47Å; I608-R612 PolarHBondContact O-N 2.93Å; L609-R612 PolarHBondContact O-N 2.95Å; I610-R612 PolarHBondContact O-N 2.99Å; R612-K616 WeakPolarHBondContact O-CB 3.5Å; R612-K616 WeakPolarHBondContact O-CG 3.37Å; R612-K616 PolarHBondContact O-N 3.16Å; R612-K616 VanDerWaalsContact O-N 3.16Å |
| 613 | I | 91.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.3 | -51.1 | 175.6 | -72.7 | 167.8 | 0 | 0 | 0 | 110 | I525 L528 L609 I610 L615 K616 V617 A647 V650 I831 | I525-I613 HydrophobicContact CG2-CD1 3.75Å; L528-I613 HydrophobicContact CD1-CG1 4.46Å; L609-I613 HydrophobicContact CD1-CD1 3.85Å; L609-I613 HydrophobicContact CD1-CG1 4.15Å; L609-I613 HydrophobicContact CG-CD1 3.81Å; L609-I613 HydrophobicContact CG-CG1 4.48Å; L609-I613 WeakPolarHBondContact O-CB 3.48Å; L609-I613 VanDerWaalsContact O-CG1 3.22Å; L609-I613 WeakPolarHBondContact O-CG1 3.37Å; L609-I613 PolarHBondContact O-N 3.14Å; I610-I613 PolarHBondContact O-N 3.31Å; I613-L615 PolarHBondContact O-N 2.98Å; I613-K616 PolarHBondContact O-N 3.01Å; I613-V617 HydrophobicContact CG2-CG2 4.17Å; I613-V617 WeakPolarHBondContact O-CB 3.28Å; I613-V617 VanDerWaalsContact O-CG2 3.27Å; I613-V617 WeakPolarHBondContact O-CG2 3.33Å; I613-V617 PolarHBondContact O-N 2.94Å; I613-A647 HydrophobicContact CG2-CB 4.24Å; I613-V650 HydrophobicContact CD1-CG1 3.75Å; I613-I831 HydrophobicContact CG2-CD1 4.1Å; I613-I831 HydrophobicContact CG2-CG2 4.24Å |
| 614 | R | 93.7 | Very high | 92.2 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.4 | -46.9 | 179.4 | -76.4 | -177.2 | 171.5 | 149.6 | -3.9 | 111.6 | Y62 Y92 L96 I610 S611 K616 V617 F618 L643 A644 A647 M648 | Y62-R614 VanDerWaalsContact CD2-NH1 3.26Å; Y62-R614 VanDerWaalsContact CE2-NH1 3.26Å; Y92-R614 HydrophobicContact CE1-CB 4.27Å; L96-R614 HydrophobicContact CD1-CB 3.95Å; L96-R614 HydrophobicContact CD2-CB 4.19Å; I610-R614 HydrophobicContact CG2-CG 4.39Å; I610-R614 WeakPolarHBondContact O-CB 3.33Å; I610-R614 WeakPolarHBondContact O-CG 3.4Å; I610-R614 PolarHBondContact O-N 3.3Å; S611-R614 PolarHBondContact O-N 2.86Å; R614-K616 PolarHBondContact O-N 2.94Å; R614-V617 PolarHBondContact O-N 2.88Å; R614-F618 WeakPolarHBondContact O-CB 3.41Å; R614-F618 PolarHBondContact O-N 3.24Å; R614-L643 HydrophobicContact CB-CD1 3.98Å; R614-L643 HydrophobicContact CG-CD1 4.02Å; R614-L643 PolarHBondContact NE-O 3.48Å; R614-L643 WeakPolarHBondContact O-CD1 3.21Å; R614-A644 PolarHBondContact NH2-O 3.13Å; R614-A647 HydrophobicContact CG-CB 3.67Å; R614-M648 VanDerWaalsContact NH2-CG 3.27Å |
| 615 | L | 94.3 | Very high | 92.1 | Very high | 30 Ų | 30 | 23.9 Ų | 23.9 | 16% | 0.157 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59 | -47 | 178 | -171.3 | 69.2 | 0 | 0 | 0 | 111.9 | L89 R93 L96 S611 I613 F618 E619 | L89-L615 HydrophobicContact CD1-CD1 3.49Å; L89-L615 VanDerWaalsContact CD1-CD1 3.49Å; L89-L615 HydrophobicContact CD1-CG 4.17Å; L89-L615 HydrophobicContact CG-CD1 4.16Å; R93-L615 HydrophobicContact CB-CD1 3.7Å; R93-L615 HydrophobicContact CG-CD1 4.05Å; R93-L615 HydrophobicContact CG-CD2 4.15Å; L96-L615 HydrophobicContact CD1-CB 4.26Å; S611-L615 VanDerWaalsContact O-CB 3.27Å; S611-L615 WeakPolarHBondContact O-CB 3.47Å; S611-L615 PolarHBondContact O-N 3.18Å; I613-L615 PolarHBondContact O-N 2.98Å; L615-F618 PolarHBondContact O-N 2.83Å; L615-E619 WeakPolarHBondContact O-CB 3.37Å; L615-E619 PolarHBondContact O-N 3.1Å |
| 616 | K | 93.4 | Very high | 92.1 | Very high | 98 Ų | 98 | 24 Ų | 24 | 43% | 0.426 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -70.3 | -34.1 | 179.4 | -75.8 | -164 | 169.4 | -145.1 | 0 | 114.1 | R612 I613 R614 S620 L835 | R612-K616 WeakPolarHBondContact O-CB 3.5Å; R612-K616 WeakPolarHBondContact O-CG 3.37Å; R612-K616 PolarHBondContact O-N 3.16Å; R612-K616 VanDerWaalsContact O-N 3.16Å; I613-K616 PolarHBondContact O-N 3.01Å; R614-K616 PolarHBondContact O-N 2.94Å; K616-S620 VanDerWaalsContact O-CB 3.25Å; K616-S620 WeakPolarHBondContact O-CB 3.49Å; K616-S620 PolarHBondContact O-N 3.22Å; K616-L835 HydrophobicContact CB-CD2 3.94Å; K616-L835 WeakPolarHBondContact O-CD2 3.42Å |
| 617 | V | 93.7 | Very high | 92 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.9 | -43.6 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 109.9 | I613 R614 S620 M621 L643 I831 I834 L835 | I613-V617 HydrophobicContact CG2-CG2 4.17Å; I613-V617 WeakPolarHBondContact O-CB 3.28Å; I613-V617 VanDerWaalsContact O-CG2 3.27Å; I613-V617 WeakPolarHBondContact O-CG2 3.33Å; I613-V617 PolarHBondContact O-N 2.94Å; R614-V617 PolarHBondContact O-N 2.88Å; V617-S620 PolarHBondContact O-N 3.24Å; V617-M621 HydrophobicContact CG1-CE 3.59Å; V617-M621 HydrophobicContact CG1-SD 4.19Å; V617-M621 VanDerWaalsContact O-CG 3.26Å; V617-M621 WeakPolarHBondContact O-CG 3.35Å; V617-M621 PolarHBondContact O-N 3.14Å; V617-L643 HydrophobicContact CB-CD1 4.12Å; V617-L643 HydrophobicContact CG1-CD1 3.97Å; V617-I831 HydrophobicContact CG2-CG1 4.28Å; V617-I831 HydrophobicContact CG2-CG2 3.81Å; V617-I834 HydrophobicContact CG1-CG2 4.44Å; V617-L835 HydrophobicContact CG2-CD1 4.28Å; V617-L835 HydrophobicContact CG2-CD2 4.07Å; V617-L835 HydrophobicContact CG2-CG 4.12Å |
| 618 | F | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 174.8 | -168.8 | -115.9 | 0 | 0 | 0 | 112 | A69 V72 L73 L89 Y92 R614 L615 S620 M621 L622 L643 | A69-F618 HydrophobicContact CB-CD2 4.43Å; A69-F618 HydrophobicContact CB-CE2 3.96Å; V72-F618 HydrophobicContact CB-CZ 4.05Å; V72-F618 HydrophobicContact CG1-CE2 4.38Å; V72-F618 HydrophobicContact CG1-CZ 3.77Å; L73-F618 HydrophobicContact CG-CE2 4.36Å; L89-F618 HydrophobicContact CD1-CD1 4.04Å; Y92-F618 HydrophobicContact CD1-CB 3.98Å; Y92-F618 AromaticContact CD1-CD1 3.43Å; Y92-F618 HydrophobicContact CD1-CD1 3.43Å; Y92-F618 VanDerWaalsContact CD1-CD1 3.43Å; Y92-F618 AromaticContact CD1-CE1 3.99Å; Y92-F618 HydrophobicContact CD1-CE1 3.99Å; Y92-F618 AromaticContact CD1-CG 3.79Å; Y92-F618 HydrophobicContact CD1-CG 3.79Å; Y92-F618 HydrophobicContact CE1-CB 3.84Å; Y92-F618 HydrophobicContact CE1-CD1 4.13Å; Y92-F618 HydrophobicContact CE1-CG 4Å; Y92-F618 AromaticContact CG-CD1 3.77Å; Y92-F618 HydrophobicContact CG-CD1 3.77Å; Y92-F618 AromaticContact CG-CE1 3.81Å; Y92-F618 HydrophobicContact CG-CE1 3.81Å; Y92-F618 HydrophobicContact CG-CG 4.34Å; Y92-F618 HydrophobicContact CG-CZ 4.43Å; R614-F618 WeakPolarHBondContact O-CB 3.41Å; R614-F618 PolarHBondContact O-N 3.24Å; L615-F618 PolarHBondContact O-N 2.83Å; F618-S620 VanDerWaalsContact C-N 3.3Å; F618-S620 PolarHBondContact O-N 3.38Å; F618-M621 WeakPolarHBondContact O-CB 3.44Å; F618-M621 PolarHBondContact O-N 3.37Å; F618-L622 HydrophobicContact CD1-CD1 3.91Å; F618-L622 HydrophobicContact CD1-CG 4.46Å; F618-L622 HydrophobicContact CE1-CD1 3.7Å; F618-L622 HydrophobicContact CE1-CG 4.36Å; F618-L622 HydrophobicContact CZ-CD1 4.2Å; F618-L622 HydrophobicContact CZ-CD2 4.39Å; F618-L622 HydrophobicContact CZ-CG 4.48Å; F618-L622 WeakPolarHBondContact O-CG 3.42Å; F618-L622 PolarHBondContact O-N 2.89Å; F618-L643 HydrophobicContact CB-CD1 4.46Å; F618-L643 HydrophobicContact CB-CD2 4.35Å; F618-L643 HydrophobicContact CD2-CD2 3.93Å; F618-L643 HydrophobicContact CG-CD2 4.47Å |
| 619 | E | 95 | Very high | 92.2 | Very high | 81 Ų | 81 | 23.4 Ų | 23.4 | 38% | 0.379 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -55.8 | -42.9 | 171.5 | 179.4 | 176.4 | -144.2 | 0 | 0 | 112.1 | L89 L615 N623 | L89-E619 HydrophobicContact CD1-CB 3.84Å; L89-E619 HydrophobicContact CD2-CB 4Å; L89-E619 HydrophobicContact CD2-CG 3.87Å; L615-E619 WeakPolarHBondContact O-CB 3.37Å; L615-E619 PolarHBondContact O-N 3.1Å; E619-N623 PolarHBondContact O-N 3.47Å; E619-N623 PolarHBondContact O-ND2 2.91Å |
| 620 | S | 93.2 | Very high | 92 | Very high | 19 Ų | 19 | 25.4 Ų | 25.4 | 13% | 0.133 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.6 | -41.2 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | K616 V617 F618 N623 Q624 I834 | K616-S620 VanDerWaalsContact O-CB 3.25Å; K616-S620 WeakPolarHBondContact O-CB 3.49Å; K616-S620 PolarHBondContact O-N 3.22Å; V617-S620 PolarHBondContact O-N 3.24Å; F618-S620 VanDerWaalsContact C-N 3.3Å; F618-S620 PolarHBondContact O-N 3.38Å; S620-N623 PolarHBondContact O-N 3.38Å; S620-Q624 WeakPolarHBondContact O-CG 3.39Å; S620-Q624 PolarHBondContact O-N 3.46Å; S620-Q624 PolarHBondContact O-NE2 2.6Å; S620-I834 PolarHBondContact OG-O 2.65Å |
| 621 | M | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.6 | -51.8 | 173.7 | -72.4 | 167.4 | 175.8 | 0 | 0 | 111.4 | L73 V617 F618 N623 Q624 W628 F629 L639 I834 | L73-M621 HydrophobicContact CD2-SD 4.44Å; V617-M621 HydrophobicContact CG1-CE 3.59Å; V617-M621 HydrophobicContact CG1-SD 4.19Å; V617-M621 VanDerWaalsContact O-CG 3.26Å; V617-M621 WeakPolarHBondContact O-CG 3.35Å; V617-M621 PolarHBondContact O-N 3.14Å; F618-M621 WeakPolarHBondContact O-CB 3.44Å; F618-M621 PolarHBondContact O-N 3.37Å; M621-N623 PolarHBondContact O-N 3.13Å; M621-N623 VanDerWaalsContact O-N 3.14Å; M621-Q624 WeakPolarHBondContact O-CB 3.37Å; M621-Q624 WeakPolarHBondContact O-CG 3.48Å; M621-Q624 PolarHBondContact O-N 2.9Å; M621-W628 HydrophobicContact CB-CZ3 4.44Å; M621-W628 HydrophobicContact CG-CH2 4.05Å; M621-W628 HydrophobicContact CG-CZ3 4.17Å; M621-F629 VanDerWaalsContact O-CZ 3.25Å; M621-F629 WeakPolarHBondContact O-CZ 3.19Å; M621-L639 HydrophobicContact CE-CB 4.03Å; M621-L639 HydrophobicContact CE-CD2 4.14Å; M621-L639 HydrophobicContact SD-CB 4.33Å; M621-I834 HydrophobicContact CE-CD1 3.9Å; M621-I834 HydrophobicContact CG-CG2 4.15Å |
| 622 | L | 93 | Very high | 91.3 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -23.6 | -179.2 | -66.8 | 178 | 0 | 0 | 0 | 113.7 | V72 I76 E85 E88 L89 F618 | V72-L622 HydrophobicContact CG1-CD2 3.62Å; I76-L622 HydrophobicContact CD1-CD2 3.79Å; E85-L622 HydrophobicContact CB-CB 4.25Å; E85-L622 HydrophobicContact CG-CB 4.47Å; E85-L622 WeakPolarHBondContact O-CD1 3.2Å; E88-L622 HydrophobicContact CB-CD1 4.5Å; L89-L622 HydrophobicContact CB-CD1 4.3Å; F618-L622 HydrophobicContact CD1-CD1 3.91Å; F618-L622 HydrophobicContact CD1-CG 4.46Å; F618-L622 HydrophobicContact CE1-CD1 3.7Å; F618-L622 HydrophobicContact CE1-CG 4.36Å; F618-L622 HydrophobicContact CZ-CD1 4.2Å; F618-L622 HydrophobicContact CZ-CD2 4.39Å; F618-L622 HydrophobicContact CZ-CG 4.48Å; F618-L622 WeakPolarHBondContact O-CG 3.42Å; F618-L622 PolarHBondContact O-N 2.89Å |
| 623 | N | 91.6 | Very high | 90.8 | Very high | 57 Ų | 57 | 32.6 Ų | 32.6 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 0.3 | 175.3 | -77.4 | -79.2 | 0 | 0 | 0 | 114.1 | E619 S620 M621 P839 T843 | E619-N623 PolarHBondContact O-N 3.47Å; E619-N623 PolarHBondContact O-ND2 2.91Å; S620-N623 PolarHBondContact O-N 3.38Å; M621-N623 PolarHBondContact O-N 3.13Å; M621-N623 VanDerWaalsContact O-N 3.14Å; N623-P839 WeakPolarHBondContact O-CB 3.36Å; N623-P839 WeakPolarHBondContact O-CG 3.09Å; N623-T843 PolarHBondContact OD1-OG1 3.46Å |
| 624 | Q | 92.1 | Very high | 90.7 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -76 | 148.4 | 173.4 | -54.5 | -55.5 | -52.2 | 0 | 0 | 111.6 | S620 M621 W628 F629 R837 | S620-Q624 WeakPolarHBondContact O-CG 3.39Å; S620-Q624 PolarHBondContact O-N 3.46Å; S620-Q624 PolarHBondContact O-NE2 2.6Å; M621-Q624 WeakPolarHBondContact O-CB 3.37Å; M621-Q624 WeakPolarHBondContact O-CG 3.48Å; M621-Q624 PolarHBondContact O-N 2.9Å; Q624-W628 HydrophobicContact CB-CB 3.97Å; Q624-W628 HydrophobicContact CB-CD2 3.89Å; Q624-W628 HydrophobicContact CB-CE3 3.68Å; Q624-W628 HydrophobicContact CB-CG 4.05Å; Q624-W628 HydrophobicContact CB-CZ3 4.45Å; Q624-W628 HydrophobicContact CG-CD2 3.79Å; Q624-W628 HydrophobicContact CG-CE3 3.68Å; Q624-W628 HydrophobicContact CG-CG 4.25Å; Q624-W628 HydrophobicContact CG-CZ3 4.08Å; Q624-F629 HydrophobicContact CB-CE2 4.02Å; Q624-R837 PolarHBondContact NE2-O 3.49Å; Q624-R837 VanDerWaalsContact NE2-O 3.11Å; Q624-R837 VanDerWaalsContact OE1-CD 3.27Å |
| 625 | E | 90.5 | Very high | 90.4 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | trans | -68.5 | 154.6 | 172.4 | 75.8 | -72.7 | 172.5 | 0 | 0 | 112 | G627 W628 R837 P839 L840 I841 | E625-G627 PolarHBondContact O-N 2.87Å; E625-G627 VanDerWaalsContact O-N 3.16Å; E625-W628 VanDerWaalsContact O-CB 3.28Å; E625-W628 WeakPolarHBondContact O-CB 3.37Å; E625-W628 PolarHBondContact O-N 2.88Å; E625-R837 VanDerWaalsContact CD-NH1 3.28Å; E625-R837 IonicContact OE1-CZ 3.12Å; E625-R837 VanDerWaalsContact OE1-CZ 3.29Å; E625-R837 IonicContact OE1-NH1 3.87Å; E625-R837 PolarHBondContact OE1-NH1 3.26Å; E625-R837 IonicContact OE1-NH2 2.97Å; E625-R837 PolarHBondContact OE1-NH2 2.92Å; E625-R837 IonicContact OE2-CZ 3.15Å; E625-R837 IonicContact OE2-NH1 3.87Å; E625-R837 PolarHBondContact OE2-NH1 3.49Å; E625-R837 IonicContact OE2-NH2 3.58Å; E625-P839 WeakPolarHBondContact OE2-CA 3.35Å; E625-P839 WeakPolarHBondContact OE2-CB 3.36Å; E625-L840 HydrophobicContact CG-CB 4.22Å; E625-L840 PolarHBondContact OE2-N 3.41Å; E625-I841 HydrophobicContact CB-CB 4.05Å; E625-I841 HydrophobicContact CB-CD1 4.44Å; E625-I841 HydrophobicContact CB-CG1 4.41Å | ||
| 626 | V | 90.7 | Very high | 90 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.8 | -38 | -176.7 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | R77 V80 W628 F629 D630 F908 Y909 | R77-V626 HydrophobicContact CG-CG1 3.82Å; V80-V626 HydrophobicContact CG1-CG2 4.38Å; V626-W628 PolarHBondContact O-N 3.01Å; V626-F629 WeakPolarHBondContact O-CB 3.38Å; V626-F629 PolarHBondContact O-N 2.71Å; V626-D630 PolarHBondContact O-N 2.98Å; V626-F908 HydrophobicContact CB-CB 4Å; V626-F908 HydrophobicContact CB-CG 4.28Å; V626-F908 HydrophobicContact CG2-CB 3.85Å; V626-F908 HydrophobicContact CG2-CD1 3.78Å; V626-F908 HydrophobicContact CG2-CD2 4.12Å; V626-F908 HydrophobicContact CG2-CE1 4.31Å; V626-F908 HydrophobicContact CG2-CG 3.66Å; V626-Y909 HydrophobicContact CB-CE1 4.34Å; V626-Y909 HydrophobicContact CG1-CE1 4.4Å |
| 627 | G | 87.4 | Confident | 89.6 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -3.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | E625 D630 | E625-G627 PolarHBondContact O-N 2.87Å; E625-G627 VanDerWaalsContact O-N 3.16Å; G627-D630 WeakPolarHBondContact CA-OD2 3.45Å |
| 628 | W | 91.3 | Very high | 89.4 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 6% | 0.057 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -85.2 | -36.4 | 165.9 | -177.5 | 74.1 | 0 | 0 | 0 | 112.4 | M621 Q624 E625 V626 N634 L639 I834 R837 | M621-W628 HydrophobicContact CB-CZ3 4.44Å; M621-W628 HydrophobicContact CG-CH2 4.05Å; M621-W628 HydrophobicContact CG-CZ3 4.17Å; Q624-W628 HydrophobicContact CB-CB 3.97Å; Q624-W628 HydrophobicContact CB-CD2 3.89Å; Q624-W628 HydrophobicContact CB-CE3 3.68Å; Q624-W628 HydrophobicContact CB-CG 4.05Å; Q624-W628 HydrophobicContact CB-CZ3 4.45Å; Q624-W628 HydrophobicContact CG-CD2 3.79Å; Q624-W628 HydrophobicContact CG-CE3 3.68Å; Q624-W628 HydrophobicContact CG-CG 4.25Å; Q624-W628 HydrophobicContact CG-CZ3 4.08Å; E625-W628 VanDerWaalsContact O-CB 3.28Å; E625-W628 WeakPolarHBondContact O-CB 3.37Å; E625-W628 PolarHBondContact O-N 2.88Å; V626-W628 PolarHBondContact O-N 3.01Å; W628-N634 HydrophobicContact CD2-CB 4.44Å; W628-N634 VanDerWaalsContact CE2-ND2 3.25Å; W628-N634 HydrophobicContact CE3-CB 4.44Å; W628-N634 HydrophobicContact CH2-CB 4.45Å; W628-N634 HydrophobicContact CZ2-CB 4.43Å; W628-N634 WeakPolarHBondContact CZ2-OD1 3.32Å; W628-N634 HydrophobicContact CZ3-CB 4.46Å; W628-N634 PolarHBondContact NE1-ND2 3.07Å; W628-N634 VanDerWaalsContact NE1-ND2 3.18Å; W628-N634 WeakPolarHBondContact O-CB 3.14Å; W628-N634 PolarHBondContact O-ND2 3.28Å; W628-L639 HydrophobicContact CH2-CD1 3.83Å; W628-L639 HydrophobicContact CH2-CD2 3.71Å; W628-L639 HydrophobicContact CH2-CG 4.44Å; W628-L639 HydrophobicContact CZ2-CD2 4.46Å; W628-L639 HydrophobicContact CZ3-CD1 3.52Å; W628-L639 HydrophobicContact CZ3-CD2 4.29Å; W628-I834 HydrophobicContact CZ2-CG1 4.33Å; W628-R837 VanDerWaalsContact CD1-NE 3.31Å |
| 629 | F | 91.4 | Very high | 89.2 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.7 | -28.6 | 179.3 | -65.3 | -87.6 | 0 | 0 | 0 | 112.8 | L73 I76 M621 Q624 V626 K631 L639 | L73-F629 HydrophobicContact CD2-CE1 3.8Å; I76-F629 HydrophobicContact CD1-CE2 4.38Å; I76-F629 HydrophobicContact CD1-CZ 4.03Å; I76-F629 HydrophobicContact CG1-CD1 4.47Å; I76-F629 HydrophobicContact CG1-CD2 4.19Å; I76-F629 HydrophobicContact CG1-CE1 4.09Å; I76-F629 HydrophobicContact CG1-CE2 3.79Å; I76-F629 HydrophobicContact CG1-CG 4.5Å; I76-F629 HydrophobicContact CG1-CZ 3.72Å; I76-F629 HydrophobicContact CG2-CD1 4.33Å; I76-F629 HydrophobicContact CG2-CG 4.23Å; M621-F629 VanDerWaalsContact O-CZ 3.25Å; M621-F629 WeakPolarHBondContact O-CZ 3.19Å; Q624-F629 HydrophobicContact CB-CE2 4.02Å; V626-F629 WeakPolarHBondContact O-CB 3.38Å; V626-F629 PolarHBondContact O-N 2.71Å; F629-K631 PolarHBondContact O-N 3.37Å; F629-L639 HydrophobicContact CD1-CD1 3.8Å; F629-L639 HydrophobicContact CE1-CD1 3.69Å |
| 630 | D | 86.9 | Confident | 88.9 | Confident | 44 Ų | 44 | 35.5 Ų | 35.5 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -8.7 | 174.4 | -58.1 | -32 | 0 | 0 | 0 | 113.6 | R77 V626 G627 Y909 | R77-D630 IonicContact CZ-OD1 2.69Å; R77-D630 IonicContact NH2-OD1 3.88Å; R77-D630 PolarHBondContact NH2-OD1 2.9Å; V626-D630 PolarHBondContact O-N 2.98Å; G627-D630 WeakPolarHBondContact CA-OD2 3.45Å; D630-Y909 WeakPolarHBondContact OD2-CE1 3.44Å; D630-Y909 PolarHBondContact OD2-OH 3.22Å |
| 631 | K | 85.4 | Confident | 88.6 | Confident | 80 Ų | 80 | 36.8 Ų | 36.8 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -80.3 | 136.8 | 177.1 | -63.5 | -167.8 | 171.5 | -155.6 | 0 | 110.9 | F629 E633 N634 | F629-K631 PolarHBondContact O-N 3.37Å; K631-E633 PolarHBondContact O-N 2.96Å; K631-E633 VanDerWaalsContact O-N 3.11Å; K631-N634 PolarHBondContact O-N 3.21Å |
| 632 | P | 80.2 | Confident | 88.3 | Confident | 91 Ų | 91 | 39.2 Ų | 39.2 | 59% | 0.591 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -59.5 | -29.3 | -179.1 | 23.3 | -33.6 | 0 | 0 | 0 | 113.3 | N634 I638 | P632-N634 PolarHBondContact O-N 2.85Å; P632-I638 WeakPolarHBondContact O-CD1 3.31Å |
| 633 | E | 83.1 | Confident | 88.1 | Confident | 104 Ų | 104 | 39.3 Ų | 39.3 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -64.6 | -17.1 | 174.7 | -60.6 | 176.2 | 179.9 | 0 | 0 | 114.4 | K631 K642 | K631-E633 PolarHBondContact O-N 2.96Å; K631-E633 VanDerWaalsContact O-N 3.11Å; E633-K642 PolarHBondContact O-NZ 3.01Å |
| 634 | N | 89.2 | Confident | 87.9 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -123.7 | 19.8 | -169.4 | -59.8 | -34.5 | 0 | 0 | 0 | 113.2 | W628 K631 P632 L639 | W628-N634 HydrophobicContact CD2-CB 4.44Å; W628-N634 VanDerWaalsContact CE2-ND2 3.25Å; W628-N634 HydrophobicContact CE3-CB 4.44Å; W628-N634 HydrophobicContact CH2-CB 4.45Å; W628-N634 HydrophobicContact CZ2-CB 4.43Å; W628-N634 WeakPolarHBondContact CZ2-OD1 3.32Å; W628-N634 HydrophobicContact CZ3-CB 4.46Å; W628-N634 PolarHBondContact NE1-ND2 3.07Å; W628-N634 VanDerWaalsContact NE1-ND2 3.18Å; W628-N634 WeakPolarHBondContact O-CB 3.14Å; W628-N634 PolarHBondContact O-ND2 3.28Å; K631-N634 PolarHBondContact O-N 3.21Å; P632-N634 PolarHBondContact O-N 2.85Å; N634-L639 HydrophobicContact CB-CD1 4.32Å; N634-L639 HydrophobicContact CB-CD2 4.08Å; N634-L639 HydrophobicContact CB-CG 4.41Å; N634-L639 VanDerWaalsContact O-CD1 3.22Å; N634-L639 WeakPolarHBondContact O-CD1 3.23Å; N634-L639 WeakPolarHBondContact O-CG 3.35Å |
| 635 | Q | 86.1 | Confident | 87.6 | Confident | 108 Ų | 108 | 40.6 Ų | 40.6 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | trans | -55.8 | 145.3 | 171 | -70.4 | 177.3 | -11 | 0 | 0 | 111.1 | G637 I638 L639 | Q635-G637 PolarHBondContact O-N 3.2Å; Q635-I638 HydrophobicContact CB-CD1 4.22Å; Q635-I638 HydrophobicContact CB-CG1 4.39Å; Q635-I638 WeakPolarHBondContact O-CB 3.45Å; Q635-I638 PolarHBondContact O-N 2.87Å; Q635-L639 PolarHBondContact O-N 2.99Å | ||
| 636 | P | 87.1 | Confident | 87.4 | Confident | 37 Ų | 37 | 40.6 Ų | 40.6 | 24% | 0.24 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -49.3 | -48 | -172.8 | -32.5 | 37.4 | 0 | 0 | 0 | 114.8 | L73 E74 I638 L639 A640 | L73-P636 HydrophobicContact CB-CB 3.85Å; L73-P636 HydrophobicContact CB-CG 4.5Å; L73-P636 WeakPolarHBondContact O-CG 3.39Å; E74-P636 HydrophobicContact CG-CB 3.83Å; E74-P636 HydrophobicContact CG-CG 4.3Å; P636-I638 VanDerWaalsContact C-N 3.33Å; P636-I638 PolarHBondContact O-N 2.94Å; P636-L639 PolarHBondContact O-N 3.38Å; P636-L639 VanDerWaalsContact O-N 3.16Å; P636-A640 WeakPolarHBondContact O-CB 3.38Å; P636-A640 PolarHBondContact O-N 3.34Å |
| 637 | G | 85.2 | Confident | 87.1 | Confident | 49 Ų | 49 | 40.6 Ų | 40.6 | 51% | 0.505 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q635 A641 | Q635-G637 PolarHBondContact O-N 3.2Å; G637-A641 VanDerWaalsContact O-CB 3.25Å; G637-A641 WeakPolarHBondContact O-CB 3.47Å; G637-A641 PolarHBondContact O-N 3.04Å |
| 638 | I | 88.8 | Confident | 87 | Confident | 68 Ų | 68 | 44.3 Ų | 44.3 | 35% | 0.349 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -70.4 | -40.2 | 175.6 | -59.8 | 176.4 | 0 | 0 | 0 | 110.1 | P632 Q635 P636 A641 K642 | P632-I638 WeakPolarHBondContact O-CD1 3.31Å; Q635-I638 HydrophobicContact CB-CD1 4.22Å; Q635-I638 HydrophobicContact CB-CG1 4.39Å; Q635-I638 WeakPolarHBondContact O-CB 3.45Å; Q635-I638 PolarHBondContact O-N 2.87Å; P636-I638 VanDerWaalsContact C-N 3.33Å; P636-I638 PolarHBondContact O-N 2.94Å; I638-A641 PolarHBondContact O-N 3.02Å; I638-K642 HydrophobicContact CG2-CD 4.16Å; I638-K642 WeakPolarHBondContact O-CB 3.35Å; I638-K642 VanDerWaalsContact O-CG 3.28Å; I638-K642 WeakPolarHBondContact O-CG 3.48Å; I638-K642 PolarHBondContact O-N 3.3Å |
| 639 | L | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 176.6 | -62.2 | -173 | 0 | 0 | 0 | 112 | L73 M621 W628 F629 N634 Q635 P636 A641 K642 L643 | L73-L639 HydrophobicContact CD1-CB 3.93Å; L73-L639 HydrophobicContact CD2-CD1 4.11Å; M621-L639 HydrophobicContact CE-CB 4.03Å; M621-L639 HydrophobicContact CE-CD2 4.14Å; M621-L639 HydrophobicContact SD-CB 4.33Å; W628-L639 HydrophobicContact CH2-CD1 3.83Å; W628-L639 HydrophobicContact CH2-CD2 3.71Å; W628-L639 HydrophobicContact CH2-CG 4.44Å; W628-L639 HydrophobicContact CZ2-CD2 4.46Å; W628-L639 HydrophobicContact CZ3-CD1 3.52Å; W628-L639 HydrophobicContact CZ3-CD2 4.29Å; F629-L639 HydrophobicContact CD1-CD1 3.8Å; F629-L639 HydrophobicContact CE1-CD1 3.69Å; N634-L639 HydrophobicContact CB-CD1 4.32Å; N634-L639 HydrophobicContact CB-CD2 4.08Å; N634-L639 HydrophobicContact CB-CG 4.41Å; N634-L639 VanDerWaalsContact O-CD1 3.22Å; N634-L639 WeakPolarHBondContact O-CD1 3.23Å; N634-L639 WeakPolarHBondContact O-CG 3.35Å; Q635-L639 PolarHBondContact O-N 2.99Å; P636-L639 PolarHBondContact O-N 3.38Å; P636-L639 VanDerWaalsContact O-N 3.16Å; L639-A641 PolarHBondContact O-N 3.44Å; L639-K642 HydrophobicContact CD2-CD 4.11Å; L639-K642 PolarHBondContact O-N 2.93Å; L639-L643 WeakPolarHBondContact O-CB 3.31Å; L639-L643 PolarHBondContact O-N 3.08Å |
| 640 | A | 89.4 | Confident | 86 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L73 P636 L643 A644 | L73-A640 HydrophobicContact CD1-CB 4.46Å; P636-A640 WeakPolarHBondContact O-CB 3.38Å; P636-A640 PolarHBondContact O-N 3.34Å; A640-L643 PolarHBondContact O-N 3.48Å; A640-A644 WeakPolarHBondContact O-CB 3.32Å; A640-A644 PolarHBondContact O-N 3.28Å |
| 641 | A | 86.2 | Confident | 85.4 | Confident | 45 Ų | 45 | 47.7 Ų | 47.7 | 37% | 0.372 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G637 I638 L639 N645 | G637-A641 VanDerWaalsContact O-CB 3.25Å; G637-A641 WeakPolarHBondContact O-CB 3.47Å; G637-A641 PolarHBondContact O-N 3.04Å; I638-A641 PolarHBondContact O-N 3.02Å; L639-A641 PolarHBondContact O-N 3.44Å; A641-N645 WeakPolarHBondContact O-CB 3.45Å; A641-N645 PolarHBondContact O-N 3.03Å; A641-N645 PolarHBondContact O-ND2 3.06Å |
| 642 | K | 87.4 | Confident | 85 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 23% | 0.226 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.4 | -49 | 171.1 | -74.7 | 162.5 | 175.6 | 170.5 | 0 | 110.6 | E633 I638 L639 A644 N645 D646 | E633-K642 PolarHBondContact O-NZ 3.01Å; I638-K642 HydrophobicContact CG2-CD 4.16Å; I638-K642 WeakPolarHBondContact O-CB 3.35Å; I638-K642 VanDerWaalsContact O-CG 3.28Å; I638-K642 WeakPolarHBondContact O-CG 3.48Å; I638-K642 PolarHBondContact O-N 3.3Å; L639-K642 HydrophobicContact CD2-CD 4.11Å; L639-K642 PolarHBondContact O-N 2.93Å; K642-A644 VanDerWaalsContact C-N 3.32Å; K642-A644 PolarHBondContact O-N 3.19Å; K642-N645 PolarHBondContact O-N 3.02Å; K642-D646 WeakPolarHBondContact O-CB 3.41Å; K642-D646 PolarHBondContact O-N 3.48Å |
| 643 | L | 88.9 | Confident | 84.7 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -34.6 | 180 | -172.5 | 63.8 | 0 | 0 | 0 | 113 | A69 Y92 R614 V617 F618 L639 A640 A647 | A69-L643 HydrophobicContact CB-CD2 3.82Å; Y92-L643 HydrophobicContact CE1-CD2 4.32Å; Y92-L643 HydrophobicContact CE2-CD2 4.36Å; Y92-L643 WeakPolarHBondContact OH-CD2 3.49Å; Y92-L643 WeakPolarHBondContact OH-CG 3.44Å; R614-L643 HydrophobicContact CB-CD1 3.98Å; R614-L643 HydrophobicContact CG-CD1 4.02Å; R614-L643 PolarHBondContact NE-O 3.48Å; R614-L643 WeakPolarHBondContact O-CD1 3.21Å; V617-L643 HydrophobicContact CB-CD1 4.12Å; V617-L643 HydrophobicContact CG1-CD1 3.97Å; F618-L643 HydrophobicContact CB-CD1 4.46Å; F618-L643 HydrophobicContact CB-CD2 4.35Å; F618-L643 HydrophobicContact CD2-CD2 3.93Å; F618-L643 HydrophobicContact CG-CD2 4.47Å; L639-L643 WeakPolarHBondContact O-CB 3.31Å; L639-L643 PolarHBondContact O-N 3.08Å; A640-L643 PolarHBondContact O-N 3.48Å; L643-A647 WeakPolarHBondContact O-CB 3.39Å |
| 644 | A | 87.2 | Confident | 84.4 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.1 | -64.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y62 R614 A640 K642 M648 | Y62-A644 HydrophobicContact CE1-CB 3.83Å; Y62-A644 WeakPolarHBondContact OH-CA 3.33Å; R614-A644 PolarHBondContact NH2-O 3.13Å; A640-A644 WeakPolarHBondContact O-CB 3.32Å; A640-A644 PolarHBondContact O-N 3.28Å; K642-A644 VanDerWaalsContact C-N 3.32Å; K642-A644 PolarHBondContact O-N 3.19Å; A644-M648 WeakPolarHBondContact O-CE 3.33Å; A644-M648 WeakPolarHBondContact O-CG 3.36Å |
| 645 | N | 87.2 | Confident | 83.8 | Confident | 73 Ų | 73 | 40.3 Ų | 40.3 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -86.1 | -45 | -161.8 | -66.5 | -48.8 | 0 | 0 | 0 | 114 | A641 K642 A647 M648 R649 | A641-N645 WeakPolarHBondContact O-CB 3.45Å; A641-N645 PolarHBondContact O-N 3.03Å; A641-N645 PolarHBondContact O-ND2 3.06Å; K642-N645 PolarHBondContact O-N 3.02Å; N645-A647 VanDerWaalsContact C-N 3.33Å; N645-A647 PolarHBondContact O-N 3.35Å; N645-M648 PolarHBondContact O-N 2.74Å; N645-R649 WeakPolarHBondContact O-CG 3.49Å; N645-R649 PolarHBondContact O-N 2.65Å |
| 646 | D | 85.3 | Confident | 83.4 | Confident | 16 Ų | 16 | 37.2 Ų | 37.2 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72 | -32 | -175 | -73.9 | -18.3 | 0 | 0 | 0 | 111.3 | K642 M648 R649 V650 A827 I831 | K642-D646 WeakPolarHBondContact O-CB 3.41Å; K642-D646 PolarHBondContact O-N 3.48Å; D646-M648 VanDerWaalsContact C-N 3.32Å; D646-M648 PolarHBondContact O-N 3.4Å; D646-R649 PolarHBondContact O-N 2.86Å; D646-R649 VanDerWaalsContact OD1-CD 3.32Å; D646-R649 WeakPolarHBondContact OD1-CD 3.18Å; D646-R649 IonicContact OD1-CZ 2.74Å; D646-R649 IonicContact OD1-NE 2.64Å; D646-R649 IonicContact OD1-NH1 3.82Å; D646-R649 PolarHBondContact OD1-NH1 3.31Å; D646-V650 WeakPolarHBondContact O-CB 3.21Å; D646-V650 WeakPolarHBondContact O-CG2 3.48Å; D646-V650 PolarHBondContact O-N 3.22Å; D646-A827 HydrophobicContact CB-CB 3.73Å; D646-I831 HydrophobicContact CB-CD1 4.04Å; D646-I831 HydrophobicContact CB-CG1 4.49Å |
| 647 | A | 84.2 | Confident | 83 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -38.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | I613 R614 L643 N645 | I613-A647 HydrophobicContact CG2-CB 4.24Å; R614-A647 HydrophobicContact CG-CB 3.67Å; L643-A647 WeakPolarHBondContact O-CB 3.39Å; N645-A647 VanDerWaalsContact C-N 3.33Å; N645-A647 PolarHBondContact O-N 3.35Å |
| 648 | M | 84.5 | Confident | 82.8 | Confident | 80 Ų | 80 | 37.1 Ų | 37.1 | 39% | 0.394 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -74.3 | -38.8 | 176 | -64.4 | -173.6 | -58 | 0 | 0 | 112.4 | R614 A644 N645 D646 V650 T651 | R614-M648 VanDerWaalsContact NH2-CG 3.27Å; A644-M648 WeakPolarHBondContact O-CE 3.33Å; A644-M648 WeakPolarHBondContact O-CG 3.36Å; N645-M648 PolarHBondContact O-N 2.74Å; D646-M648 VanDerWaalsContact C-N 3.32Å; D646-M648 PolarHBondContact O-N 3.4Å; M648-V650 VanDerWaalsContact C-N 3.34Å; M648-V650 PolarHBondContact O-N 3.06Å; M648-T651 PolarHBondContact O-N 2.73Å; M648-T651 PolarHBondContact O-OG1 3.04Å |
| 649 | R | 82.9 | Confident | 82.6 | Confident | 122 Ų | 122 | 34 Ų | 34 | 46% | 0.46 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.7 | -74.9 | 166.5 | 173.7 | 166.6 | -3.7 | 111.4 | N645 D646 T651 M652 A824 A827 | N645-R649 WeakPolarHBondContact O-CG 3.49Å; N645-R649 PolarHBondContact O-N 2.65Å; D646-R649 PolarHBondContact O-N 2.86Å; D646-R649 VanDerWaalsContact OD1-CD 3.32Å; D646-R649 WeakPolarHBondContact OD1-CD 3.18Å; D646-R649 IonicContact OD1-CZ 2.74Å; D646-R649 IonicContact OD1-NE 2.64Å; D646-R649 IonicContact OD1-NH1 3.82Å; D646-R649 PolarHBondContact OD1-NH1 3.31Å; R649-T651 PolarHBondContact O-N 2.8Å; R649-M652 VanDerWaalsContact O-CB 3.31Å; R649-M652 WeakPolarHBondContact O-CB 3.42Å; R649-M652 VanDerWaalsContact O-CG 3.32Å; R649-M652 WeakPolarHBondContact O-CG 3.15Å; R649-M652 PolarHBondContact O-N 2.67Å; R649-A824 WeakPolarHBondContact O-CB 3.29Å; R649-A827 HydrophobicContact CB-CB 3.75Å |
| 650 | V | 80.2 | Confident | 82.1 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.3 | -36.9 | 178.4 | 161.1 | 0 | 0 | 0 | 0 | 112.7 | I525 I613 D646 M648 M652 I653 A827 A828 I831 | I525-V650 HydrophobicContact CB-CG1 4.46Å; I525-V650 HydrophobicContact CD1-CG1 3.95Å; I525-V650 HydrophobicContact CD1-CG2 4.1Å; I525-V650 HydrophobicContact CG2-CG1 3.6Å; I613-V650 HydrophobicContact CD1-CG1 3.75Å; D646-V650 WeakPolarHBondContact O-CB 3.21Å; D646-V650 WeakPolarHBondContact O-CG2 3.48Å; D646-V650 PolarHBondContact O-N 3.22Å; M648-V650 VanDerWaalsContact C-N 3.34Å; M648-V650 PolarHBondContact O-N 3.06Å; V650-M652 PolarHBondContact O-N 3.12Å; V650-I653 PolarHBondContact O-N 3Å; V650-A827 HydrophobicContact CG2-CB 3.81Å; V650-A828 HydrophobicContact CG2-CB 4.03Å; V650-I831 HydrophobicContact CG2-CD1 3.76Å |
| 651 | T | 74.7 | Confident | 81.8 | Confident | 18 Ų | 18 | 40 Ų | 40 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -72.1 | -3.2 | 177.3 | 43 | 0 | 0 | 0 | 0 | 115.6 | L609 I610 M648 R649 I653 S654 | L609-T651 HydrophobicContact CD2-CG2 4.12Å; L609-T651 HydrophobicContact CG-CG2 4.31Å; I610-T651 HydrophobicContact CD1-CG2 4.25Å; I610-T651 HydrophobicContact CG1-CG2 3.46Å; I610-T651 VanDerWaalsContact CG1-CG2 3.46Å; M648-T651 PolarHBondContact O-N 2.73Å; M648-T651 PolarHBondContact O-OG1 3.04Å; R649-T651 PolarHBondContact O-N 2.8Å; T651-I653 PolarHBondContact O-N 3.25Å; T651-I653 VanDerWaalsContact O-N 3.16Å; T651-S654 CarbonylContact O-C 3.55Å; T651-S654 PolarHBondContact O-N 3.22Å |
| 652 | M | 75.6 | Confident | 81.9 | Confident | 77 Ų | 77 | 39.9 Ų | 39.9 | 38% | 0.379 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -67.9 | -8.4 | 170 | -59 | -64.2 | 167.7 | 0 | 0 | 113.7 | R649 V650 Q657 A824 | R649-M652 VanDerWaalsContact O-CB 3.31Å; R649-M652 WeakPolarHBondContact O-CB 3.42Å; R649-M652 VanDerWaalsContact O-CG 3.32Å; R649-M652 WeakPolarHBondContact O-CG 3.15Å; R649-M652 PolarHBondContact O-N 2.67Å; V650-M652 PolarHBondContact O-N 3.12Å; M652-Q657 WeakPolarHBondContact O-CB 3.45Å; M652-Q657 HydrophobicContact SD-CG 4.07Å; M652-A824 HydrophobicContact CB-CB 4.37Å |
| 653 | I | 73.6 | Confident | 81.9 | Confident | 42 Ų | 42 | 38.3 Ų | 38.3 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -97.3 | -6.5 | 171.7 | -66.8 | 172.3 | 0 | 0 | 0 | 111.8 | T522 V650 T651 T821 A824 | T522-I653 HydrophobicContact CG2-CD1 3.35Å; V650-I653 PolarHBondContact O-N 3Å; T651-I653 PolarHBondContact O-N 3.25Å; T651-I653 VanDerWaalsContact O-N 3.16Å; I653-T821 HydrophobicContact CG1-CG2 4.18Å; I653-A824 HydrophobicContact CD1-CB 3.47Å; I653-A824 VanDerWaalsContact CD1-CB 3.47Å; I653-A824 HydrophobicContact CG1-CB 3.64Å |
| 654 | S | 78.1 | Confident | 81.8 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -136.2 | -164.9 | -175.5 | -151.8 | 0 | 0 | 0 | 0 | 110.9 | N529 T651 Q657 L658 | N529-S654 PolarHBondContact ND2-OG 3.3Å; N529-S654 VanDerWaalsContact ND2-OG 3.17Å; T651-S654 CarbonylContact O-C 3.55Å; T651-S654 PolarHBondContact O-N 3.22Å; S654-Q657 PolarHBondContact O-N 3.26Å; S654-L658 PolarHBondContact O-N 3.21Å |
| 655 | G | 77.2 | Confident | 81.9 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | 52.3 | -142.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F602 Q657 L658 G659 | F602-G655 WeakPolarHBondContact CD1-O 3.43Å; F602-G655 WeakPolarHBondContact O-CA 3.32Å; G655-Q657 PolarHBondContact O-N 2.85Å; G655-L658 PolarHBondContact O-N 2.89Å; G655-G659 PolarHBondContact O-N 3.41Å |
| 656 | S | 77.1 | Confident | 82.1 | Confident | 44 Ų | 44 | 38.8 Ų | 38.8 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.8 | -26.3 | -175.9 | 49.6 | 0 | 0 | 0 | 0 | 114.2 | G659 F660 | S656-G659 WeakPolarHBondContact O-CA 3.32Å; S656-G659 PolarHBondContact O-N 3.24Å; S656-G659 VanDerWaalsContact O-N 3.13Å; S656-F660 VanDerWaalsContact O-CD2 3.27Å; S656-F660 WeakPolarHBondContact O-CD2 3.18Å; S656-F660 PolarHBondContact O-N 3.16Å |
| 657 | Q | 78.9 | Confident | 82.4 | Confident | 44 Ų | 44 | 38.2 Ų | 38.2 | 21% | 0.206 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.7 | -36.7 | 178.5 | -57.4 | -63.4 | 10.9 | 0 | 0 | 112 | M652 S654 G655 G659 F660 I661 L817 | M652-Q657 WeakPolarHBondContact O-CB 3.45Å; M652-Q657 HydrophobicContact SD-CG 4.07Å; S654-Q657 PolarHBondContact O-N 3.26Å; G655-Q657 PolarHBondContact O-N 2.85Å; Q657-G659 VanDerWaalsContact C-N 3.29Å; Q657-F660 PolarHBondContact O-N 3.16Å; Q657-I661 WeakPolarHBondContact O-CG1 3.45Å; Q657-I661 PolarHBondContact O-N 2.93Å; Q657-I661 VanDerWaalsContact O-N 3.17Å; Q657-L817 VanDerWaalsContact OE1-CD2 3.26Å |
| 658 | L | 81.1 | Confident | 82.6 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 170.1 | 179.2 | 59.5 | 0 | 0 | 0 | 110.9 | F602 S654 G655 I661 I662 | F602-L658 HydrophobicContact CE1-CB 4.44Å; F602-L658 HydrophobicContact CE1-CD2 4.16Å; F602-L658 HydrophobicContact CE1-CG 4.29Å; S654-L658 PolarHBondContact O-N 3.21Å; G655-L658 PolarHBondContact O-N 2.89Å; L658-I661 PolarHBondContact O-N 3.22Å; L658-I662 HydrophobicContact CD1-CD1 4.07Å; L658-I662 HydrophobicContact CD1-CG1 4.37Å; L658-I662 HydrophobicContact CG-CD1 3.99Å; L658-I662 WeakPolarHBondContact O-CG1 3.13Å; L658-I662 PolarHBondContact O-N 3.4Å |
| 659 | G | 83.5 | Confident | 83 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -49.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | C543 G655 S656 Q657 I661 I662 E663 | C543-G659 WeakPolarHBondContact SG-CA 3.44Å; C543-G659 PolarHBondContact SG-O 3.35Å; G655-G659 PolarHBondContact O-N 3.41Å; S656-G659 WeakPolarHBondContact O-CA 3.32Å; S656-G659 PolarHBondContact O-N 3.24Å; S656-G659 VanDerWaalsContact O-N 3.13Å; Q657-G659 VanDerWaalsContact C-N 3.29Å; G659-I661 VanDerWaalsContact C-N 3.32Å; G659-I661 PolarHBondContact O-N 3.13Å; G659-I662 PolarHBondContact O-N 3.42Å; G659-I662 VanDerWaalsContact O-N 3.16Å; G659-E663 PolarHBondContact O-N 3.14Å |
| 660 | F | 81.9 | Confident | 83.5 | Confident | 83 Ų | 83 | 37 Ų | 37 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.6 | -35.3 | 177.1 | -66.8 | -52.2 | 0 | 0 | 0 | 113.5 | S656 Q657 A664 L817 | S656-F660 VanDerWaalsContact O-CD2 3.27Å; S656-F660 WeakPolarHBondContact O-CD2 3.18Å; S656-F660 PolarHBondContact O-N 3.16Å; Q657-F660 PolarHBondContact O-N 3.16Å; F660-A664 WeakPolarHBondContact O-CB 3.03Å; F660-A664 PolarHBondContact O-N 3.43Å; F660-L817 HydrophobicContact CB-CD1 3.8Å; F660-L817 HydrophobicContact CD2-CD1 4.46Å |
| 661 | I | 82.8 | Confident | 84 | Confident | 64 Ų | 64 | 36.8 Ų | 36.8 | 33% | 0.328 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 174.6 | -67.7 | 165.1 | 0 | 0 | 0 | 110.5 | Q657 L658 G659 A664 V665 L817 | Q657-I661 WeakPolarHBondContact O-CG1 3.45Å; Q657-I661 PolarHBondContact O-N 2.93Å; Q657-I661 VanDerWaalsContact O-N 3.17Å; L658-I661 PolarHBondContact O-N 3.22Å; G659-I661 VanDerWaalsContact C-N 3.32Å; G659-I661 PolarHBondContact O-N 3.13Å; I661-A664 PolarHBondContact O-N 3.5Å; I661-V665 WeakPolarHBondContact O-CG2 3.46Å; I661-V665 PolarHBondContact O-N 3.2Å; I661-L817 HydrophobicContact CG1-CD1 4.42Å |
| 662 | I | 87.4 | Confident | 84.8 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.5 | -41 | 177.8 | -65.8 | 170.3 | 0 | 0 | 0 | 111.1 | C540 C543 V544 F602 L658 G659 A664 V665 A666 | C540-I662 HydrophobicContact CB-CD1 4.49Å; C540-I662 VanDerWaalsContact SG-CD1 3.53Å; C543-I662 HydrophobicContact CB-CB 4.06Å; C543-I662 HydrophobicContact CB-CG2 3.66Å; V544-I662 HydrophobicContact CG2-CG2 4.42Å; F602-I662 HydrophobicContact CZ-CD1 4.48Å; L658-I662 HydrophobicContact CD1-CD1 4.07Å; L658-I662 HydrophobicContact CD1-CG1 4.37Å; L658-I662 HydrophobicContact CG-CD1 3.99Å; L658-I662 WeakPolarHBondContact O-CG1 3.13Å; L658-I662 PolarHBondContact O-N 3.4Å; G659-I662 PolarHBondContact O-N 3.42Å; G659-I662 VanDerWaalsContact O-N 3.16Å; I662-A664 VanDerWaalsContact C-N 3.34Å; I662-A664 PolarHBondContact O-N 3.11Å; I662-V665 PolarHBondContact O-N 3.17Å; I662-A666 WeakPolarHBondContact O-CB 3.27Å; I662-A666 PolarHBondContact O-N 2.73Å |
| 663 | E | 88.5 | Confident | 85.7 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 9% | 0.089 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 173.8 | -170.2 | 177.2 | 123.6 | 0 | 0 | 111 | C543 S546 Q598 G659 A666 L667 | C543-E663 HydrophobicContact CB-CB 4.47Å; S546-E663 WeakPolarHBondContact CB-OE2 3.17Å; S546-E663 PolarHBondContact OG-OE2 3.26Å; Q598-E663 PolarHBondContact NE2-OE2 3.26Å; G659-E663 PolarHBondContact O-N 3.14Å; E663-A666 PolarHBondContact O-N 2.79Å; E663-L667 WeakPolarHBondContact O-CB 3.44Å; E663-L667 PolarHBondContact O-N 3.37Å |
| 664 | A | 86.6 | Confident | 86.6 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66 | -39.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F660 I661 I662 M668 L811 T814 | F660-A664 WeakPolarHBondContact O-CB 3.03Å; F660-A664 PolarHBondContact O-N 3.43Å; I661-A664 PolarHBondContact O-N 3.5Å; I662-A664 VanDerWaalsContact C-N 3.34Å; I662-A664 PolarHBondContact O-N 3.11Å; A664-M668 WeakPolarHBondContact O-CB 3.43Å; A664-M668 PolarHBondContact O-N 2.94Å; A664-L811 HydrophobicContact CB-CD1 4.25Å; A664-T814 HydrophobicContact CB-CG2 4.3Å |
| 665 | V | 88.7 | Confident | 87.2 | Confident | 82 Ų | 82 | 36.9 Ų | 36.9 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.6 | -43 | 175.4 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | I661 I662 M668 A669 | I661-V665 WeakPolarHBondContact O-CG2 3.46Å; I661-V665 PolarHBondContact O-N 3.2Å; I662-V665 PolarHBondContact O-N 3.17Å; V665-M668 PolarHBondContact O-N 2.99Å; V665-A669 WeakPolarHBondContact O-CB 3.35Å; V665-A669 PolarHBondContact O-N 2.82Å |
| 666 | A | 91.3 | Very high | 88 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V544 I662 E663 A669 M670 | V544-A666 HydrophobicContact CB-CB 4.46Å; V544-A666 HydrophobicContact CG2-CB 4.22Å; I662-A666 WeakPolarHBondContact O-CB 3.27Å; I662-A666 PolarHBondContact O-N 2.73Å; E663-A666 PolarHBondContact O-N 2.79Å; A666-A669 PolarHBondContact O-N 3.28Å; A666-M670 WeakPolarHBondContact O-CB 3.49Å; A666-M670 VanDerWaalsContact O-CG 3.29Å; A666-M670 WeakPolarHBondContact O-CG 3.49Å; A666-M670 PolarHBondContact O-N 3.48Å |
| 667 | L | 90.9 | Very high | 88.8 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.3 | -52.5 | 173.1 | 170.7 | 58.5 | 0 | 0 | 0 | 111.8 | Q550 P551 E663 A669 M670 S671 | Q550-L667 HydrophobicContact CB-CD1 3.74Å; Q550-L667 HydrophobicContact CG-CD1 4.03Å; P551-L667 HydrophobicContact CG-CD1 3.92Å; E663-L667 WeakPolarHBondContact O-CB 3.44Å; E663-L667 PolarHBondContact O-N 3.37Å; L667-A669 PolarHBondContact O-N 3.33Å; L667-M670 PolarHBondContact O-N 3.05Å; L667-S671 VanDerWaalsContact O-CB 3.28Å; L667-S671 WeakPolarHBondContact O-CB 3.4Å; L667-S671 PolarHBondContact O-N 3.04Å; L667-S671 PolarHBondContact O-OG 3.18Å |
| 668 | M | 89.6 | Confident | 89.3 | Confident | 57 Ų | 57 | 45.6 Ų | 45.6 | 28% | 0.281 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -48.2 | 179.1 | -179.3 | -175.4 | 72.4 | 0 | 0 | 111.8 | A664 V665 S671 F672 Y690 L811 | A664-M668 WeakPolarHBondContact O-CB 3.43Å; A664-M668 PolarHBondContact O-N 2.94Å; V665-M668 PolarHBondContact O-N 2.99Å; M668-S671 PolarHBondContact O-N 3.16Å; M668-F672 HydrophobicContact CG-CD2 3.86Å; M668-F672 HydrophobicContact CG-CE2 3.4Å; M668-F672 HydrophobicContact CG-CZ 4.07Å; M668-F672 WeakPolarHBondContact O-CD2 3.17Å; M668-F672 WeakPolarHBondContact O-CG 3.39Å; M668-F672 PolarHBondContact O-N 3.2Å; M668-F672 HydrophobicContact SD-CE2 3.98Å; M668-Y690 HydrophobicContact CG-CE1 4.5Å; M668-Y690 HydrophobicContact SD-CE1 4.46Å; M668-L811 HydrophobicContact CG-CD2 4.46Å; M668-L811 HydrophobicContact SD-CD2 3.77Å |
| 669 | A | 92.7 | Very high | 89.8 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 40% | 0.397 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.8 | -48.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V665 A666 L667 F672 V673 | V665-A669 WeakPolarHBondContact O-CB 3.35Å; V665-A669 PolarHBondContact O-N 2.82Å; A666-A669 PolarHBondContact O-N 3.28Å; L667-A669 PolarHBondContact O-N 3.33Å; A669-F672 PolarHBondContact O-N 2.95Å; A669-V673 WeakPolarHBondContact O-CG2 3.28Å; A669-V673 PolarHBondContact O-N 3.16Å |
| 670 | M | 92.5 | Very high | 90.3 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 37% | 0.365 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 178.6 | -70.3 | -59.6 | -59.5 | 0 | 0 | 112.3 | T548 P551 A666 L667 F672 V673 V674 | T548-M670 HydrophobicContact CG2-CE 4.43Å; T548-M670 HydrophobicContact CG2-CG 3.77Å; T548-M670 HydrophobicContact CG2-SD 4.38Å; P551-M670 HydrophobicContact CB-CB 4.42Å; P551-M670 HydrophobicContact CG-CB 3.91Å; A666-M670 WeakPolarHBondContact O-CB 3.49Å; A666-M670 VanDerWaalsContact O-CG 3.29Å; A666-M670 WeakPolarHBondContact O-CG 3.49Å; A666-M670 PolarHBondContact O-N 3.48Å; L667-M670 PolarHBondContact O-N 3.05Å; M670-F672 PolarHBondContact O-N 3.2Å; M670-V673 PolarHBondContact O-N 2.96Å; M670-V674 WeakPolarHBondContact O-CB 3.47Å; M670-V674 VanDerWaalsContact O-CG2 3.26Å; M670-V674 WeakPolarHBondContact O-CG2 3.42Å; M670-V674 PolarHBondContact O-N 2.78Å |
| 671 | S | 91.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.9 | -86.5 | 0 | 0 | 0 | 0 | 112.4 | L667 M668 S675 T803 S807 | L667-S671 VanDerWaalsContact O-CB 3.28Å; L667-S671 WeakPolarHBondContact O-CB 3.4Å; L667-S671 PolarHBondContact O-N 3.04Å; L667-S671 PolarHBondContact O-OG 3.18Å; M668-S671 PolarHBondContact O-N 3.16Å; S671-S675 VanDerWaalsContact O-CB 3.29Å; S671-S675 WeakPolarHBondContact O-CB 3.18Å; S671-S675 PolarHBondContact O-N 3.12Å; S671-S675 PolarHBondContact O-OG 3.34Å; S671-T803 WeakPolarHBondContact CB-O 3.29Å; S671-T803 WeakPolarHBondContact O-CG2 3.35Å; S671-T803 WeakPolarHBondContact OG-CG2 3.28Å; S671-T803 PolarHBondContact OG-O 2.99Å; S671-S807 WeakPolarHBondContact CB-OG 3.39Å; S671-S807 WeakPolarHBondContact OG-CB 3.33Å |
| 672 | F | 92.2 | Very high | 91.2 | Very high | 39 Ų | 39 | 47.7 Ų | 47.7 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.6 | -45.1 | 176.1 | -68.6 | -36.5 | 0 | 0 | 0 | 112.3 | M668 A669 M670 V674 S675 F676 L687 Y690 | M668-F672 HydrophobicContact CG-CD2 3.86Å; M668-F672 HydrophobicContact CG-CE2 3.4Å; M668-F672 HydrophobicContact CG-CZ 4.07Å; M668-F672 WeakPolarHBondContact O-CD2 3.17Å; M668-F672 WeakPolarHBondContact O-CG 3.39Å; M668-F672 PolarHBondContact O-N 3.2Å; M668-F672 HydrophobicContact SD-CE2 3.98Å; A669-F672 PolarHBondContact O-N 2.95Å; M670-F672 PolarHBondContact O-N 3.2Å; F672-V674 PolarHBondContact O-N 3.31Å; F672-S675 PolarHBondContact O-N 2.97Å; F672-S675 VanDerWaalsContact O-N 3.15Å; F672-F676 HydrophobicContact CB-CD2 4.31Å; F672-F676 HydrophobicContact CB-CE2 4.42Å; F672-F676 VanDerWaalsContact O-CD2 3.28Å; F672-F676 WeakPolarHBondContact O-CD2 3.5Å; F672-F676 PolarHBondContact O-N 2.82Å; F672-L687 HydrophobicContact CE1-CD1 3.7Å; F672-L687 HydrophobicContact CZ-CD1 3.71Å; F672-Y690 HydrophobicContact CE1-CD2 4.24Å; F672-Y690 HydrophobicContact CE1-CE1 4.43Å; F672-Y690 HydrophobicContact CE1-CE2 4.13Å; F672-Y690 HydrophobicContact CE1-CG 4.42Å; F672-Y690 HydrophobicContact CE2-CE1 4.45Å; F672-Y690 AromaticContact CZ-CD1 3.87Å; F672-Y690 HydrophobicContact CZ-CD1 3.87Å; F672-Y690 HydrophobicContact CZ-CD2 4.35Å; F672-Y690 AromaticContact CZ-CE1 3.65Å; F672-Y690 HydrophobicContact CZ-CE1 3.65Å; F672-Y690 HydrophobicContact CZ-CE2 4.14Å; F672-Y690 HydrophobicContact CZ-CG 4.21Å; F672-Y690 AromaticContact CZ-CZ 3.79Å |
| 673 | V | 93.5 | Very high | 91.5 | Very high | 87 Ų | 87 | 45.7 Ų | 45.7 | 53% | 0.527 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.3 | -50 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | A669 M670 S675 V677 | A669-V673 WeakPolarHBondContact O-CG2 3.28Å; A669-V673 PolarHBondContact O-N 3.16Å; M670-V673 PolarHBondContact O-N 2.96Å; V673-S675 VanDerWaalsContact C-N 3.3Å; V673-S675 PolarHBondContact O-N 2.99Å; V673-V677 WeakPolarHBondContact O-CB 3.36Å; V673-V677 VanDerWaalsContact O-CG2 3.26Å; V673-V677 WeakPolarHBondContact O-CG2 3.5Å; V673-V677 PolarHBondContact O-N 3.33Å; V673-V677 VanDerWaalsContact O-N 3.15Å |
| 674 | V | 91.6 | Very high | 91.6 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 177.3 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | P551 I555 M670 F672 Y678 T803 | P551-V674 HydrophobicContact CB-CG2 4.37Å; I555-V674 HydrophobicContact CD1-CG1 3.82Å; I555-V674 HydrophobicContact CD1-CG2 4Å; I555-V674 HydrophobicContact CG1-CG1 3.95Å; M670-V674 WeakPolarHBondContact O-CB 3.47Å; M670-V674 VanDerWaalsContact O-CG2 3.26Å; M670-V674 WeakPolarHBondContact O-CG2 3.42Å; M670-V674 PolarHBondContact O-N 2.78Å; F672-V674 PolarHBondContact O-N 3.31Å; V674-Y678 HydrophobicContact CG1-CD2 4.03Å; V674-Y678 HydrophobicContact CG1-CE2 3.89Å; V674-Y678 WeakPolarHBondContact O-CD2 3.42Å; V674-Y678 PolarHBondContact O-N 3.17Å; V674-T803 HydrophobicContact CB-CG2 4.07Å; V674-T803 HydrophobicContact CG1-CG2 3.89Å |
| 675 | S | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.2 | -45.3 | -176.1 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | S671 F672 V673 V677 Y678 S679 T683 I804 | S671-S675 VanDerWaalsContact O-CB 3.29Å; S671-S675 WeakPolarHBondContact O-CB 3.18Å; S671-S675 PolarHBondContact O-N 3.12Å; S671-S675 PolarHBondContact O-OG 3.34Å; F672-S675 PolarHBondContact O-N 2.97Å; F672-S675 VanDerWaalsContact O-N 3.15Å; V673-S675 VanDerWaalsContact C-N 3.3Å; V673-S675 PolarHBondContact O-N 2.99Å; S675-V677 VanDerWaalsContact C-N 3.29Å; S675-V677 PolarHBondContact O-N 3.38Å; S675-Y678 PolarHBondContact O-N 3.03Å; S675-S679 CarbonylContact O-C 3.52Å; S675-S679 PolarHBondContact O-N 3.48Å; S675-T683 VanDerWaalsContact CB-OG1 3.26Å; S675-T683 WeakPolarHBondContact CB-OG1 3.35Å; S675-T683 PolarHBondContact O-OG1 3.16Å; S675-T683 VanDerWaalsContact O-OG1 3.11Å; S675-I804 VanDerWaalsContact OG-CG1 3.29Å; S675-I804 WeakPolarHBondContact OG-CG1 3.4Å |
| 676 | F | 94.2 | Very high | 91.9 | Very high | 87 Ų | 87 | 47 Ų | 47 | 38% | 0.382 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62 | -34.6 | 176.4 | -83.8 | -69.3 | 0 | 0 | 0 | 112.7 | F672 W680 T683 L684 | F672-F676 HydrophobicContact CB-CD2 4.31Å; F672-F676 HydrophobicContact CB-CE2 4.42Å; F672-F676 VanDerWaalsContact O-CD2 3.28Å; F672-F676 WeakPolarHBondContact O-CD2 3.5Å; F672-F676 PolarHBondContact O-N 2.82Å; F676-W680 HydrophobicContact CD1-CB 3.87Å; F676-W680 HydrophobicContact CE1-CB 4.4Å; F676-W680 PolarHBondContact O-N 2.88Å; F676-T683 HydrophobicContact CD1-CG2 4Å; F676-T683 HydrophobicContact CD2-CG2 3.82Å; F676-T683 HydrophobicContact CE1-CG2 3.82Å; F676-T683 HydrophobicContact CE2-CG2 3.64Å; F676-T683 HydrophobicContact CG-CG2 3.99Å; F676-T683 HydrophobicContact CZ-CG2 3.63Å; F676-L684 HydrophobicContact CE1-CD2 4.27Å; F676-L684 HydrophobicContact CE1-CG 4.42Å; F676-L684 HydrophobicContact CZ-CD2 4.39Å |
| 677 | V | 93.2 | Very high | 91.8 | Very high | 111 Ų | 111 | 49.3 Ų | 49.3 | 67% | 0.673 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -66 | -33.5 | 175.9 | 166.8 | 0 | 0 | 0 | 0 | 112.6 | V673 S675 | V673-V677 WeakPolarHBondContact O-CB 3.36Å; V673-V677 VanDerWaalsContact O-CG2 3.26Å; V673-V677 WeakPolarHBondContact O-CG2 3.5Å; V673-V677 PolarHBondContact O-N 3.33Å; V673-V677 VanDerWaalsContact O-N 3.15Å; S675-V677 VanDerWaalsContact C-N 3.29Å; S675-V677 PolarHBondContact O-N 3.38Å |
| 678 | Y | 90.4 | Very high | 91.8 | Very high | 79 Ų | 79 | 53.9 Ų | 53.9 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -90.6 | -34.6 | 178.8 | -69.8 | -54.9 | 0 | 0 | 0 | 114.4 | I555 V674 S675 R799 | I555-Y678 HydrophobicContact CG1-CE2 4.48Å; V674-Y678 HydrophobicContact CG1-CD2 4.03Å; V674-Y678 HydrophobicContact CG1-CE2 3.89Å; V674-Y678 WeakPolarHBondContact O-CD2 3.42Å; V674-Y678 PolarHBondContact O-N 3.17Å; S675-Y678 PolarHBondContact O-N 3.03Å; Y678-R799 HydrophobicContact CD2-CB 4.02Å; Y678-R799 HydrophobicContact CD2-CG 4.4Å; Y678-R799 HydrophobicContact CE2-CG 4.45Å; Y678-R799 HydrophobicContact CG-CB 4.45Å; Y678-R799 VanDerWaalsContact CZ-NH1 3.29Å; Y678-R799 PolarHBondContact OH-NH1 3.24Å |
| 679 | S | 92.1 | Very high | 91.8 | Very high | 8 Ų | 8 | 53 Ų | 53 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | trans | -164.2 | 115.5 | 165 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | S675 Q681 L682 T683 I792 | S675-S679 CarbonylContact O-C 3.52Å; S675-S679 PolarHBondContact O-N 3.48Å; S679-Q681 VanDerWaalsContact C-N 3.33Å; S679-Q681 PolarHBondContact OG-N 2.78Å; S679-L682 PolarHBondContact OG-N 2.8Å; S679-L682 VanDerWaalsContact OG-N 3.12Å; S679-T683 WeakPolarHBondContact O-CB 3.38Å; S679-T683 PolarHBondContact O-N 2.99Å; S679-T683 VanDerWaalsContact O-N 3.14Å; S679-T683 PolarHBondContact O-OG1 3.43Å; S679-I792 WeakPolarHBondContact OG-CD1 3.33Å | ||
| 680 | W | 93 | Very high | 91.6 | Very high | 158 Ų | 158 | 51.3 Ų | 51.3 | 60% | 0.598 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65 | -37.2 | 169.5 | 70.7 | -91.5 | 0 | 0 | 0 | 112.3 | F676 T683 L684 | F676-W680 HydrophobicContact CD1-CB 3.87Å; F676-W680 HydrophobicContact CE1-CB 4.4Å; F676-W680 PolarHBondContact O-N 2.88Å; W680-T683 PolarHBondContact O-N 2.85Å; W680-L684 HydrophobicContact CE3-CD1 3.63Å; W680-L684 HydrophobicContact CE3-CG 4.48Å; W680-L684 HydrophobicContact CZ3-CD1 3.78Å; W680-L684 WeakPolarHBondContact O-CG 3.25Å; W680-L684 PolarHBondContact O-N 3.34Å |
| 681 | Q | 92.9 | Very high | 91.3 | Very high | 66 Ų | 66 | 51 Ų | 51 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.2 | -51.3 | -177.3 | -62.2 | 164.2 | -33.3 | 0 | 0 | 111.8 | S679 L685 L786 | S679-Q681 VanDerWaalsContact C-N 3.33Å; S679-Q681 PolarHBondContact OG-N 2.78Å; Q681-L685 PolarHBondContact O-N 3.34Å; Q681-L786 HydrophobicContact CB-CD1 4.06Å |
| 682 | L | 91.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.2 | -34.6 | 179.3 | -176.6 | 60.8 | 0 | 0 | 0 | 111.5 | S679 L685 I686 A779 L782 V797 V800 | S679-L682 PolarHBondContact OG-N 2.8Å; S679-L682 VanDerWaalsContact OG-N 3.12Å; L682-L685 PolarHBondContact O-N 3.26Å; L682-I686 HydrophobicContact CD1-CD1 4.3Å; L682-I686 HydrophobicContact CG-CD1 4.17Å; L682-I686 WeakPolarHBondContact O-CG1 3.49Å; L682-I686 PolarHBondContact O-N 2.83Å; L682-A779 HydrophobicContact CD1-CB 4.37Å; L682-A779 WeakPolarHBondContact CD1-O 3.48Å; L682-L782 HydrophobicContact CD1-CD2 4.44Å; L682-V797 HydrophobicContact CD2-CB 4.17Å; L682-V797 HydrophobicContact CD2-CG1 3.89Å; L682-V797 HydrophobicContact CD2-CG2 4.3Å; L682-V800 HydrophobicContact CB-CG1 4.16Å; L682-V800 HydrophobicContact CD2-CB 3.97Å; L682-V800 HydrophobicContact CD2-CG1 3.93Å; L682-V800 HydrophobicContact CG-CB 4.41Å; L682-V800 HydrophobicContact CG-CG1 3.81Å |
| 683 | T | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 175.3 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | S675 F676 S679 W680 L685 I686 L687 I804 | S675-T683 VanDerWaalsContact CB-OG1 3.26Å; S675-T683 WeakPolarHBondContact CB-OG1 3.35Å; S675-T683 PolarHBondContact O-OG1 3.16Å; S675-T683 VanDerWaalsContact O-OG1 3.11Å; F676-T683 HydrophobicContact CD1-CG2 4Å; F676-T683 HydrophobicContact CD2-CG2 3.82Å; F676-T683 HydrophobicContact CE1-CG2 3.82Å; F676-T683 HydrophobicContact CE2-CG2 3.64Å; F676-T683 HydrophobicContact CG-CG2 3.99Å; F676-T683 HydrophobicContact CZ-CG2 3.63Å; S679-T683 WeakPolarHBondContact O-CB 3.38Å; S679-T683 PolarHBondContact O-N 2.99Å; S679-T683 VanDerWaalsContact O-N 3.14Å; S679-T683 PolarHBondContact O-OG1 3.43Å; W680-T683 PolarHBondContact O-N 2.85Å; T683-L685 PolarHBondContact O-N 3.44Å; T683-I686 PolarHBondContact O-N 3.3Å; T683-L687 VanDerWaalsContact O-CB 3.32Å; T683-L687 WeakPolarHBondContact O-CB 3.34Å; T683-L687 PolarHBondContact O-N 3.36Å; T683-I804 HydrophobicContact CG2-CD1 4.06Å |
| 684 | L | 92.4 | Very high | 90.1 | Very high | 81 Ų | 81 | 51.3 Ų | 51.3 | 42% | 0.424 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 177.3 | -75.6 | 179.2 | 0 | 0 | 0 | 112.8 | F676 W680 L687 V688 | F676-L684 HydrophobicContact CE1-CD2 4.27Å; F676-L684 HydrophobicContact CE1-CG 4.42Å; F676-L684 HydrophobicContact CZ-CD2 4.39Å; W680-L684 HydrophobicContact CE3-CD1 3.63Å; W680-L684 HydrophobicContact CE3-CG 4.48Å; W680-L684 HydrophobicContact CZ3-CD1 3.78Å; W680-L684 WeakPolarHBondContact O-CG 3.25Å; W680-L684 PolarHBondContact O-N 3.34Å; L684-L687 HydrophobicContact CD2-CD2 4.45Å; L684-L687 WeakPolarHBondContact O-CB 3.44Å; L684-L687 PolarHBondContact O-N 3.31Å; L684-V688 PolarHBondContact O-N 3.46Å |
| 685 | L | 91 | Very high | 89.5 | Confident | 49 Ų | 49 | 54.6 Ų | 54.6 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 176.2 | 176.7 | 63.3 | 0 | 0 | 0 | 111.5 | Q681 L682 T683 L687 V688 F689 A778 L782 | Q681-L685 PolarHBondContact O-N 3.34Å; L682-L685 PolarHBondContact O-N 3.26Å; T683-L685 PolarHBondContact O-N 3.44Å; L685-L687 VanDerWaalsContact C-N 3.25Å; L685-L687 PolarHBondContact O-N 2.96Å; L685-V688 WeakPolarHBondContact O-CB 3.18Å; L685-V688 PolarHBondContact O-N 2.88Å; L685-V688 VanDerWaalsContact O-N 3.17Å; L685-F689 HydrophobicContact CD1-CE2 4.23Å; L685-F689 WeakPolarHBondContact O-CD2 3.23Å; L685-A778 HydrophobicContact CD2-CB 4.11Å; L685-A778 VanDerWaalsContact CD2-O 3.29Å; L685-A778 WeakPolarHBondContact CD2-O 3.18Å; L685-L782 HydrophobicContact CB-CD2 3.95Å; L685-L782 HydrophobicContact CD2-CB 3.68Å; L685-L782 HydrophobicContact CD2-CD2 3.53Å; L685-L782 HydrophobicContact CD2-CG 4.23Å; L685-L782 HydrophobicContact CG-CD2 4.34Å |
| 686 | I | 88.8 | Confident | 88.9 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.4 | -28.3 | -177.7 | -56.2 | 174.6 | 0 | 0 | 0 | 110.7 | L682 T683 V688 F689 Y690 A779 V800 I804 | L682-I686 HydrophobicContact CD1-CD1 4.3Å; L682-I686 HydrophobicContact CG-CD1 4.17Å; L682-I686 WeakPolarHBondContact O-CG1 3.49Å; L682-I686 PolarHBondContact O-N 2.83Å; T683-I686 PolarHBondContact O-N 3.3Å; I686-V688 PolarHBondContact O-N 3.1Å; I686-F689 PolarHBondContact O-N 3.13Å; I686-Y690 PolarHBondContact O-N 3.01Å; I686-A779 HydrophobicContact CD1-CB 3.74Å; I686-A779 HydrophobicContact CG1-CB 3.98Å; I686-V800 HydrophobicContact CD1-CG1 4.11Å; I686-I804 HydrophobicContact CB-CD1 3.98Å; I686-I804 HydrophobicContact CD1-CD1 4.27Å; I686-I804 HydrophobicContact CG2-CB 4.08Å; I686-I804 HydrophobicContact CG2-CD1 4.08Å; I686-I804 HydrophobicContact CG2-CG2 3.58Å |
| 687 | L | 90.1 | Very high | 88 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 32% | 0.319 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -27.8 | 173.3 | -166.5 | 69.6 | 0 | 0 | 0 | 112.9 | F672 T683 L684 L685 F689 Y690 P691 | F672-L687 HydrophobicContact CE1-CD1 3.7Å; F672-L687 HydrophobicContact CZ-CD1 3.71Å; T683-L687 VanDerWaalsContact O-CB 3.32Å; T683-L687 WeakPolarHBondContact O-CB 3.34Å; T683-L687 PolarHBondContact O-N 3.36Å; L684-L687 HydrophobicContact CD2-CD2 4.45Å; L684-L687 WeakPolarHBondContact O-CB 3.44Å; L684-L687 PolarHBondContact O-N 3.31Å; L685-L687 VanDerWaalsContact C-N 3.25Å; L685-L687 PolarHBondContact O-N 2.96Å; L687-F689 VanDerWaalsContact C-N 3.34Å; L687-Y690 PolarHBondContact O-N 3.04Å; L687-P691 WeakPolarHBondContact O-CD 3.44Å |
| 688 | V | 90.8 | Very high | 87.1 | Confident | 99 Ų | 99 | 48.5 Ų | 48.5 | 60% | 0.6 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.8 | -39.1 | 173.1 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | L684 L685 I686 | L684-V688 PolarHBondContact O-N 3.46Å; L685-V688 WeakPolarHBondContact O-CB 3.18Å; L685-V688 PolarHBondContact O-N 2.88Å; L685-V688 VanDerWaalsContact O-N 3.17Å; I686-V688 PolarHBondContact O-N 3.1Å |
| 689 | F | 89 | Confident | 86.3 | Confident | 39 Ų | 39 | 46.9 Ų | 46.9 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -80.9 | -21.7 | 177.9 | -63.2 | -85.7 | 0 | 0 | 0 | 113 | L685 I686 L687 L692 I693 V771 F774 A775 A778 | L685-F689 HydrophobicContact CD1-CE2 4.23Å; L685-F689 WeakPolarHBondContact O-CD2 3.23Å; I686-F689 PolarHBondContact O-N 3.13Å; L687-F689 VanDerWaalsContact C-N 3.34Å; F689-L692 WeakPolarHBondContact O-CB 3.48Å; F689-L692 PolarHBondContact O-N 3.07Å; F689-L692 VanDerWaalsContact O-N 3.08Å; F689-I693 HydrophobicContact CB-CD1 4.47Å; F689-I693 WeakPolarHBondContact O-CG1 3.41Å; F689-I693 PolarHBondContact O-N 3.27Å; F689-V771 HydrophobicContact CD1-CG1 4.46Å; F689-F774 HydrophobicContact CE1-CB 4.02Å; F689-A775 HydrophobicContact CB-CB 3.7Å; F689-A775 HydrophobicContact CD1-CB 3.95Å; F689-A775 HydrophobicContact CD2-CB 4.12Å; F689-A775 HydrophobicContact CG-CB 3.65Å; F689-A778 HydrophobicContact CE2-CB 3.76Å; F689-A778 HydrophobicContact CZ-CB 3.91Å |
| 690 | Y | 88.1 | Confident | 85.2 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.9 | -48.3 | -173 | -166.6 | -90.9 | 0 | 0 | 0 | 114 | M668 F672 I686 L687 L692 I693 V694 I804 S807 A808 L811 | M668-Y690 HydrophobicContact CG-CE1 4.5Å; M668-Y690 HydrophobicContact SD-CE1 4.46Å; F672-Y690 HydrophobicContact CE1-CD2 4.24Å; F672-Y690 HydrophobicContact CE1-CE1 4.43Å; F672-Y690 HydrophobicContact CE1-CE2 4.13Å; F672-Y690 HydrophobicContact CE1-CG 4.42Å; F672-Y690 HydrophobicContact CE2-CE1 4.45Å; F672-Y690 AromaticContact CZ-CD1 3.87Å; F672-Y690 HydrophobicContact CZ-CD1 3.87Å; F672-Y690 HydrophobicContact CZ-CD2 4.35Å; F672-Y690 AromaticContact CZ-CE1 3.65Å; F672-Y690 HydrophobicContact CZ-CE1 3.65Å; F672-Y690 HydrophobicContact CZ-CE2 4.14Å; F672-Y690 HydrophobicContact CZ-CG 4.21Å; F672-Y690 AromaticContact CZ-CZ 3.79Å; I686-Y690 PolarHBondContact O-N 3.01Å; L687-Y690 PolarHBondContact O-N 3.04Å; Y690-L692 VanDerWaalsContact C-N 3.29Å; Y690-L692 PolarHBondContact O-N 3.21Å; Y690-I693 PolarHBondContact O-N 3.32Å; Y690-V694 HydrophobicContact CD1-CG2 4.2Å; Y690-V694 HydrophobicContact CE1-CG2 4.01Å; Y690-V694 WeakPolarHBondContact O-CG2 3.42Å; Y690-V694 PolarHBondContact O-N 2.73Å; Y690-V694 VanDerWaalsContact O-N 3.13Å; Y690-I804 HydrophobicContact CD2-CG2 3.48Å; Y690-I804 VanDerWaalsContact CD2-CG2 3.48Å; Y690-I804 HydrophobicContact CE2-CG2 3.82Å; Y690-S807 PolarHBondContact OH-OG 3.47Å; Y690-A808 HydrophobicContact CD2-CB 3.73Å; Y690-A808 HydrophobicContact CE2-CB 3.56Å; Y690-L811 HydrophobicContact CE1-CD2 3.8Å |
| 691 | P | 87.4 | Confident | 83.9 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 174.3 | -23.4 | 33.9 | 0 | 0 | 0 | 113 | L687 V694 I695 | L687-P691 WeakPolarHBondContact O-CD 3.44Å; P691-V694 PolarHBondContact O-N 3.27Å; P691-I695 VanDerWaalsContact O-CB 3.31Å; P691-I695 WeakPolarHBondContact O-CB 3.34Å; P691-I695 WeakPolarHBondContact O-CD1 3.41Å; P691-I695 WeakPolarHBondContact O-CG1 3.44Å; P691-I695 PolarHBondContact O-N 3.47Å |
| 692 | L | 86.6 | Confident | 82.6 | Confident | 85 Ų | 85 | 49.1 Ų | 49.1 | 45% | 0.445 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | -179 | -61.1 | 175.8 | 0 | 0 | 0 | 111.4 | F689 Y690 G696 V771 | F689-L692 WeakPolarHBondContact O-CB 3.48Å; F689-L692 PolarHBondContact O-N 3.07Å; F689-L692 VanDerWaalsContact O-N 3.08Å; Y690-L692 VanDerWaalsContact C-N 3.29Å; Y690-L692 PolarHBondContact O-N 3.21Å; L692-G696 PolarHBondContact O-N 3.33Å; L692-V771 HydrophobicContact CB-CG1 3.67Å; L692-V771 HydrophobicContact CB-CG2 4.22Å; L692-V771 HydrophobicContact CD1-CG2 4.48Å |
| 693 | I | 83.4 | Confident | 81.3 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 11% | 0.108 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 174.6 | -61.8 | 166.6 | 0 | 0 | 0 | 110.7 | F689 Y690 G696 G697 V771 L772 A775 A808 | F689-I693 HydrophobicContact CB-CD1 4.47Å; F689-I693 WeakPolarHBondContact O-CG1 3.41Å; F689-I693 PolarHBondContact O-N 3.27Å; Y690-I693 PolarHBondContact O-N 3.32Å; I693-G696 PolarHBondContact O-N 3.28Å; I693-G697 PolarHBondContact O-N 2.91Å; I693-V771 HydrophobicContact CG1-CG1 3.71Å; I693-L772 HydrophobicContact CD1-CD1 4.07Å; I693-L772 HydrophobicContact CG1-CD1 4.49Å; I693-A775 HydrophobicContact CD1-CB 4.36Å; I693-A808 HydrophobicContact CB-CB 4.26Å; I693-A808 HydrophobicContact CD1-CB 4.27Å; I693-A808 HydrophobicContact CG2-CB 3.78Å |
| 694 | V | 81.8 | Confident | 79.6 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 179.3 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | Y690 P691 G696 G697 F698 L811 | Y690-V694 HydrophobicContact CD1-CG2 4.2Å; Y690-V694 HydrophobicContact CE1-CG2 4.01Å; Y690-V694 WeakPolarHBondContact O-CG2 3.42Å; Y690-V694 PolarHBondContact O-N 2.73Å; Y690-V694 VanDerWaalsContact O-N 3.13Å; P691-V694 PolarHBondContact O-N 3.27Å; V694-G696 VanDerWaalsContact C-N 3.33Å; V694-G697 PolarHBondContact O-N 2.88Å; V694-F698 PolarHBondContact O-N 2.89Å; V694-L811 HydrophobicContact CG1-CD2 4.4Å; V694-L811 HydrophobicContact CG1-CG 4.15Å; V694-L811 HydrophobicContact CG2-CB 4.16Å; V694-L811 HydrophobicContact CG2-CD2 3.84Å; V694-L811 HydrophobicContact CG2-CG 4.04Å |
| 695 | I | 80.3 | Confident | 77.8 | Confident | 87 Ų | 87 | 54.9 Ų | 54.9 | 45% | 0.446 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 174.4 | -71.1 | 165.6 | 0 | 0 | 0 | 110.5 | P691 F698 F699 | P691-I695 VanDerWaalsContact O-CB 3.31Å; P691-I695 WeakPolarHBondContact O-CB 3.34Å; P691-I695 WeakPolarHBondContact O-CD1 3.41Å; P691-I695 WeakPolarHBondContact O-CG1 3.44Å; P691-I695 PolarHBondContact O-N 3.47Å; I695-F698 WeakPolarHBondContact O-CB 3.4Å; I695-F698 PolarHBondContact O-N 3.16Å; I695-F699 HydrophobicContact CG2-CD2 3.69Å; I695-F699 HydrophobicContact CG2-CE2 3.64Å; I695-F699 VanDerWaalsContact O-CD2 3.31Å; I695-F699 WeakPolarHBondContact O-CD2 3.28Å; I695-F699 PolarHBondContact O-N 2.97Å |
| 696 | G | 78.5 | Confident | 76.1 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L692 I693 V694 F698 F699 Q700 | L692-G696 PolarHBondContact O-N 3.33Å; I693-G696 PolarHBondContact O-N 3.28Å; V694-G696 VanDerWaalsContact C-N 3.33Å; G696-F698 VanDerWaalsContact C-N 3.33Å; G696-F698 PolarHBondContact O-N 3.3Å; G696-F699 PolarHBondContact O-N 3.44Å; G696-Q700 WeakPolarHBondContact O-CB 3.22Å; G696-Q700 PolarHBondContact O-N 2.93Å |
| 697 | G | 75.6 | Confident | 74.2 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I693 V694 F699 Q700 M701 G812 | I693-G697 PolarHBondContact O-N 2.91Å; V694-G697 PolarHBondContact O-N 2.88Å; G697-F699 PolarHBondContact O-N 2.74Å; G697-Q700 PolarHBondContact O-N 3.43Å; G697-M701 WeakPolarHBondContact O-CB 3.3Å; G697-M701 PolarHBondContact O-N 2.96Å; G697-G812 CarbonylContact C-O 3.53Å; G697-G812 VanDerWaalsContact C-O 3.31Å |
| 698 | F | 74 | Confident | 72.3 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 23% | 0.232 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 173.8 | 174.8 | -97.6 | 0 | 0 | 0 | 112.3 | V694 I695 G696 R702 G812 A815 T816 L819 | V694-F698 PolarHBondContact O-N 2.89Å; I695-F698 WeakPolarHBondContact O-CB 3.4Å; I695-F698 PolarHBondContact O-N 3.16Å; G696-F698 VanDerWaalsContact C-N 3.33Å; G696-F698 PolarHBondContact O-N 3.3Å; F698-R702 WeakPolarHBondContact O-CB 3.41Å; F698-R702 PolarHBondContact O-N 2.64Å; F698-G812 PolarHBondContact N-O 3.04Å; F698-A815 HydrophobicContact CB-CB 4.12Å; F698-A815 HydrophobicContact CD2-CB 4.11Å; F698-T816 HydrophobicContact CD2-CG2 4.44Å; F698-L819 HydrophobicContact CE2-CD1 4.43Å; F698-L819 HydrophobicContact CE2-CD2 3.9Å; F698-L819 HydrophobicContact CE2-CG 4.02Å; F698-L819 HydrophobicContact CZ-CD2 3.87Å; F698-L819 HydrophobicContact CZ-CG 4.46Å |
| 699 | F | 72.3 | Confident | 70.4 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 20% | 0.197 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.5 | -46.5 | 175.1 | -83.8 | -69.4 | 0 | 0 | 0 | 112.6 | I695 G696 G697 M701 R702 T703 M764 | I695-F699 HydrophobicContact CG2-CD2 3.69Å; I695-F699 HydrophobicContact CG2-CE2 3.64Å; I695-F699 VanDerWaalsContact O-CD2 3.31Å; I695-F699 WeakPolarHBondContact O-CD2 3.28Å; I695-F699 PolarHBondContact O-N 2.97Å; G696-F699 PolarHBondContact O-N 3.44Å; G697-F699 PolarHBondContact O-N 2.74Å; F699-M701 PolarHBondContact O-N 3.3Å; F699-R702 PolarHBondContact O-N 2.74Å; F699-R702 VanDerWaalsContact O-N 3.13Å; F699-T703 PolarHBondContact O-N 3.3Å; F699-M764 HydrophobicContact CB-CB 4.42Å; F699-M764 HydrophobicContact CD1-CB 4.46Å; F699-M764 HydrophobicContact CD1-CG 4.45Å; F699-M764 HydrophobicContact CE2-SD 4.39Å; F699-M764 HydrophobicContact CG-CB 4.3Å; F699-M764 HydrophobicContact CZ-SD 4.47Å |
| 700 | Q | 70.6 | Confident | 68.6 | Low | 61 Ų | 61 | 60.9 Ų | 60.9 | 29% | 0.285 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -53.3 | -41.5 | 176.9 | 177.6 | -178.4 | 33.3 | 0 | 0 | 112.3 | G696 G697 T703 Y765 | G696-Q700 WeakPolarHBondContact O-CB 3.22Å; G696-Q700 PolarHBondContact O-N 2.93Å; G697-Q700 PolarHBondContact O-N 3.43Å; Q700-T703 PolarHBondContact O-OG1 3.01Å; Q700-Y765 HydrophobicContact CB-CD2 4.33Å; Q700-Y765 HydrophobicContact CG-CD2 4.14Å; Q700-Y765 HydrophobicContact CG-CE2 4.01Å |
| 701 | M | 64.7 | Low | 66.7 | Low | 90 Ų | 90 | 70.3 Ų | 70.3 | 44% | 0.443 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -91.5 | -16.4 | -177.6 | -169.3 | 71.1 | 171.7 | 0 | 0 | 112.2 | G697 F699 L704 S705 T816 | G697-M701 WeakPolarHBondContact O-CB 3.3Å; G697-M701 PolarHBondContact O-N 2.96Å; F699-M701 PolarHBondContact O-N 3.3Å; M701-L704 HydrophobicContact SD-CB 4.42Å; M701-L704 HydrophobicContact SD-CD1 3.68Å; M701-S705 PolarHBondContact O-N 3.02Å; M701-T816 HydrophobicContact CB-CG2 3.41Å; M701-T816 VanDerWaalsContact CB-CG2 3.41Å; M701-T816 HydrophobicContact CG-CG2 3.44Å; M701-T816 VanDerWaalsContact CG-CG2 3.44Å; M701-T816 WeakPolarHBondContact CG-OG1 3.37Å |
| 702 | R | 65.7 | Low | 65.1 | Low | 128 Ų | 128 | 69.7 Ų | 69.7 | 48% | 0.483 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 166.2 | 178.5 | 179.4 | 173.3 | -174 | -3.7 | 112.2 | F698 F699 S705 L819 | F698-R702 WeakPolarHBondContact O-CB 3.41Å; F698-R702 PolarHBondContact O-N 2.64Å; F699-R702 PolarHBondContact O-N 2.74Å; F699-R702 VanDerWaalsContact O-N 3.13Å; R702-S705 WeakPolarHBondContact O-CB 3.3Å; R702-S705 PolarHBondContact O-N 3.18Å; R702-S705 VanDerWaalsContact O-N 3.12Å; R702-S705 PolarHBondContact O-OG 2.94Å; R702-L819 HydrophobicContact CB-CD1 4.47Å |
| 703 | T | 63.5 | Low | 63.8 | Low | 51 Ų | 51 | 68 Ų | 68 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.4 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | F699 Q700 S705 G706 N761 | F699-T703 PolarHBondContact O-N 3.3Å; Q700-T703 PolarHBondContact O-OG1 3.01Å; T703-S705 PolarHBondContact O-N 3.27Å; T703-G706 PolarHBondContact O-N 3.27Å; T703-N761 HydrophobicContact CG2-CB 3.77Å |
| 704 | L | 57 | Low | 63.1 | Low | 90 Ų | 90 | 71.2 Ų | 71.2 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.2 | -25.4 | 173.2 | -68.6 | 170 | 0 | 0 | 0 | 113.4 | M701 G706 | M701-L704 HydrophobicContact SD-CB 4.42Å; M701-L704 HydrophobicContact SD-CD1 3.68Å; L704-G706 VanDerWaalsContact C-N 3.33Å; L704-G706 PolarHBondContact O-N 3.41Å |
| 705 | S | 54.8 | Low | 62.7 | Low | 62 Ų | 62 | 73.6 Ų | 73.6 | 43% | 0.434 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -8.6 | 178.8 | 79.3 | 0 | 0 | 0 | 0 | 115.4 | M701 R702 T703 S707 | M701-S705 PolarHBondContact O-N 3.02Å; R702-S705 WeakPolarHBondContact O-CB 3.3Å; R702-S705 PolarHBondContact O-N 3.18Å; R702-S705 VanDerWaalsContact O-N 3.12Å; R702-S705 PolarHBondContact O-OG 2.94Å; T703-S705 PolarHBondContact O-N 3.27Å; S705-S707 PolarHBondContact O-N 3.19Å |
| 706 | G | 54.8 | Low | 62.8 | Low | 39 Ų | 39 | 70 Ų | 70 | 40% | 0.402 | 38% | 0.382 | S | S | . | . | trans | 63.5 | -8.7 | 169 | 0 | 0 | 0 | 0 | 0 | 118.5 | T703 L704 S708 S709 | T703-G706 PolarHBondContact O-N 3.27Å; L704-G706 VanDerWaalsContact C-N 3.33Å; L704-G706 PolarHBondContact O-N 3.41Å; G706-S708 PolarHBondContact O-N 2.78Å; G706-S709 PolarHBondContact O-N 3.2Å | ||
| 707 | S | 49.4 | Very low | 62.9 | Low | 98 Ų | 98 | 74.8 Ų | 74.8 | 69% | 0.685 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -4.8 | -160.4 | -172.8 | 0 | 0 | 0 | 0 | 117 | S705 | S705-S707 PolarHBondContact O-N 3.19Š|
| 708 | S | 50.5 | Low | 63.2 | Low | 75 Ų | 75 | 79 Ų | 79 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -22.6 | 177.2 | 53 | 0 | 0 | 0 | 0 | 114.7 | G706 | G706-S708 PolarHBondContact O-N 2.78Š|
| 709 | S | 51.3 | Low | 63.8 | Low | 53 Ų | 53 | 76.9 Ų | 76.9 | 37% | 0.371 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -77.6 | -35.8 | -169.8 | -163.2 | 0 | 0 | 0 | 0 | 113.8 | G706 R711 N712 | G706-S709 PolarHBondContact O-N 3.2Å; S709-R711 PolarHBondContact O-N 3.01Å; S709-N712 PolarHBondContact O-N 3.44Å |
| 710 | I | 49.9 | Very low | 64.6 | Low | 116 Ų | 116 | 76 Ų | 76 | 60% | 0.595 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -57.1 | -43.6 | -164.9 | -60.2 | 172.3 | 0 | 0 | 0 | 112.8 | N712 A713 N714 | I710-N712 PolarHBondContact O-N 3.31Å; I710-A713 PolarHBondContact O-N 2.84Å; I710-N714 PolarHBondContact O-OD1 3.31Å |
| 711 | R | 48.8 | Very low | 65.4 | Low | 210 Ų | 210 | 79.1 Ų | 79.1 | 79% | 0.792 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.6 | -29.9 | -172.6 | 179.4 | 174.2 | 166.7 | -174.1 | -6.4 | 113.7 | S709 | S709-R711 PolarHBondContact O-N 3.01Å |
| 712 | N | 53 | Low | 66.4 | Low | 55 Ų | 55 | 75.7 Ų | 75.7 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -86.7 | -31.9 | -177.4 | -68.2 | -1.1 | 0 | 0 | 0 | 112 | S709 I710 N714 N750 | S709-N712 PolarHBondContact O-N 3.44Å; I710-N712 PolarHBondContact O-N 3.31Å; N712-N714 PolarHBondContact O-N 2.99Å; N712-N750 WeakPolarHBondContact CB-OD1 3.33Å; N712-N750 PolarHBondContact O-ND2 3.44Å; N712-N750 PolarHBondContact O-OD1 3.45Å |
| 713 | A | 59.9 | Low | 67.6 | Low | 49 Ų | 49 | 71.1 Ų | 71.1 | 41% | 0.405 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.7 | -19.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I710 E715 M717 | I710-A713 PolarHBondContact O-N 2.84Å; A713-E715 VanDerWaalsContact C-N 3.3Å; A713-E715 PolarHBondContact O-N 3.44Å; A713-M717 WeakPolarHBondContact O-CB 3.32Å; A713-M717 PolarHBondContact O-N 3.36Å; A713-M717 VanDerWaalsContact O-N 3.14Å |
| 714 | N | 68.4 | Low | 68.8 | Low | 89 Ų | 89 | 74.7 Ų | 74.7 | 48% | 0.476 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.2 | -34.4 | -178.4 | -71.9 | -4.7 | 0 | 0 | 0 | 113.9 | I710 N712 M717 R718 | I710-N714 PolarHBondContact O-OD1 3.31Å; N712-N714 PolarHBondContact O-N 2.99Å; N714-M717 PolarHBondContact O-N 3.39Å; N714-R718 WeakPolarHBondContact O-CB 3.35Å; N714-R718 PolarHBondContact O-N 3.04Å |
| 715 | E | 73.7 | Confident | 70.3 | Confident | 77 Ų | 77 | 73.3 Ų | 73.3 | 36% | 0.36 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.6 | -48.9 | -176.7 | -63.4 | -55.4 | 153.2 | 0 | 0 | 112.4 | A713 M717 R718 I719 | A713-E715 VanDerWaalsContact C-N 3.3Å; A713-E715 PolarHBondContact O-N 3.44Å; E715-M717 PolarHBondContact O-N 3.14Å; E715-R718 PolarHBondContact O-N 3.21Å; E715-R718 IonicContact OE1-NH2 2.85Å; E715-R718 IonicContact OE2-CZ 3.85Å; E715-R718 IonicContact OE2-NE 3.69Å; E715-R718 PolarHBondContact OE2-NE 2.86Å; E715-R718 IonicContact OE2-NH2 2.67Å; E715-R718 PolarHBondContact OE2-NH2 2.92Å; E715-I719 WeakPolarHBondContact O-CD1 3.16Å; E715-I719 WeakPolarHBondContact O-CG1 3.27Å; E715-I719 PolarHBondContact O-N 2.98Å; E715-I719 VanDerWaalsContact O-N 3.16Å |
| 716 | S | 81.6 | Confident | 71.9 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 8% | 0.077 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59 | -38.9 | 172.5 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | A720 F743 A747 N750 | S716-A720 PolarHBondContact O-N 3.14Å; S716-A720 VanDerWaalsContact O-N 3.16Å; S716-F743 VanDerWaalsContact O-CD2 3.23Å; S716-F743 WeakPolarHBondContact O-CD2 3.45Å; S716-F743 VanDerWaalsContact O-CE2 3.25Å; S716-F743 WeakPolarHBondContact O-CE2 3.47Å; S716-A747 PolarHBondContact OG-N 3.43Å; S716-N750 PolarHBondContact OG-ND2 3.36Å |
| 717 | M | 82.3 | Confident | 73.6 | Confident | 107 Ų | 107 | 71.9 Ų | 71.9 | 53% | 0.527 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.5 | -171.8 | 62.5 | 67.1 | 0 | 0 | 112.4 | A713 N714 E715 A720 Q721 | A713-M717 WeakPolarHBondContact O-CB 3.32Å; A713-M717 PolarHBondContact O-N 3.36Å; A713-M717 VanDerWaalsContact O-N 3.14Å; N714-M717 PolarHBondContact O-N 3.39Å; E715-M717 PolarHBondContact O-N 3.14Å; M717-A720 PolarHBondContact O-N 3.27Å; M717-Q721 HydrophobicContact CG-CG 4.44Å; M717-Q721 WeakPolarHBondContact O-CG 3.41Å; M717-Q721 PolarHBondContact O-N 3.3Å |
| 718 | R | 82.3 | Confident | 75.4 | Confident | 101 Ų | 101 | 72.4 Ų | 72.4 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 178.9 | 178.3 | 164.7 | 65.6 | 137.4 | 1.2 | 111.7 | E295 N714 E715 A720 Q721 E722 | E295-R718 IonicContact OE1-CZ 2.98Å; E295-R718 IonicContact OE1-NH1 2.71Å; E295-R718 PolarHBondContact OE1-NH1 2.93Å; E295-R718 IonicContact OE1-NH2 2.66Å; E295-R718 IonicContact OE2-CZ 3.29Å; E295-R718 IonicContact OE2-NH1 2.98Å; E295-R718 PolarHBondContact OE2-NH1 3.48Å; N714-R718 WeakPolarHBondContact O-CB 3.35Å; N714-R718 PolarHBondContact O-N 3.04Å; E715-R718 PolarHBondContact O-N 3.21Å; E715-R718 IonicContact OE1-NH2 2.85Å; E715-R718 IonicContact OE2-CZ 3.85Å; E715-R718 IonicContact OE2-NE 3.69Å; E715-R718 PolarHBondContact OE2-NE 2.86Å; E715-R718 IonicContact OE2-NH2 2.67Å; E715-R718 PolarHBondContact OE2-NH2 2.92Å; R718-A720 VanDerWaalsContact C-N 3.3Å; R718-A720 PolarHBondContact O-N 2.86Å; R718-Q721 PolarHBondContact O-N 2.86Å; R718-E722 WeakPolarHBondContact O-CB 3.47Å; R718-E722 PolarHBondContact O-N 3.34Å |
| 719 | I | 86 | Confident | 77.4 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 176.4 | -60.2 | 160.5 | 0 | 0 | 0 | 110.5 | E715 V723 F739 R742 F743 H746 | E715-I719 WeakPolarHBondContact O-CD1 3.16Å; E715-I719 WeakPolarHBondContact O-CG1 3.27Å; E715-I719 PolarHBondContact O-N 2.98Å; E715-I719 VanDerWaalsContact O-N 3.16Å; I719-V723 WeakPolarHBondContact O-CB 3.43Å; I719-V723 WeakPolarHBondContact O-CG2 3.43Å; I719-V723 PolarHBondContact O-N 3.19Å; I719-V723 VanDerWaalsContact O-N 3.12Å; I719-F739 HydrophobicContact CG2-CD1 4.29Å; I719-R742 HydrophobicContact CD1-CG 4.24Å; I719-F743 HydrophobicContact CG2-CB 4.39Å; I719-H746 HydrophobicContact CD1-CB 4.48Å |
| 720 | A | 89 | Confident | 79.3 | Confident | 26 Ų | 26 | 66.6 Ų | 66.6 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S716 M717 R718 V723 I724 F743 | S716-A720 PolarHBondContact O-N 3.14Å; S716-A720 VanDerWaalsContact O-N 3.16Å; M717-A720 PolarHBondContact O-N 3.27Å; R718-A720 VanDerWaalsContact C-N 3.3Å; R718-A720 PolarHBondContact O-N 2.86Å; A720-V723 PolarHBondContact O-N 3.44Å; A720-I724 WeakPolarHBondContact O-CB 3.46Å; A720-I724 WeakPolarHBondContact O-CD1 3.38Å; A720-I724 VanDerWaalsContact O-CG1 3.22Å; A720-I724 WeakPolarHBondContact O-CG1 3.49Å; A720-I724 PolarHBondContact O-N 2.64Å; A720-F743 HydrophobicContact CB-CD2 4.26Å; A720-F743 HydrophobicContact CB-CE2 4.11Å |
| 721 | Q | 86.8 | Confident | 81.2 | Confident | 128 Ų | 128 | 62.2 Ų | 62.2 | 60% | 0.598 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 177.5 | -75.1 | 176.4 | -36.8 | 0 | 0 | 112.1 | M717 R718 V723 I724 G725 | M717-Q721 HydrophobicContact CG-CG 4.44Å; M717-Q721 WeakPolarHBondContact O-CG 3.41Å; M717-Q721 PolarHBondContact O-N 3.3Å; R718-Q721 PolarHBondContact O-N 2.86Å; Q721-V723 PolarHBondContact O-N 2.64Å; Q721-I724 PolarHBondContact O-N 3.44Å; Q721-G725 PolarHBondContact O-N 3.48Å |
| 722 | E | 86.3 | Confident | 83.2 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.2 | -48.9 | 174.7 | 177.4 | -179.1 | -148.8 | 0 | 0 | 111.6 | F294 E295 R718 S726 | F294-E722 VanDerWaalsContact CA-OE1 3.28Å; F294-E722 WeakPolarHBondContact CA-OE1 3.35Å; F294-E722 WeakPolarHBondContact CB-OE1 3.43Å; F294-E722 HydrophobicContact CD1-CG 3.96Å; E295-E722 PolarHBondContact N-OE1 2.81Å; R718-E722 WeakPolarHBondContact O-CB 3.47Å; R718-E722 PolarHBondContact O-N 3.34Å; E722-S726 WeakPolarHBondContact O-CB 3.48Å; E722-S726 PolarHBondContact O-N 3.01Å; E722-S726 PolarHBondContact O-OG 3.33Å |
| 723 | V | 90.5 | Very high | 85 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 19% | 0.194 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -42.4 | -178.9 | 169.1 | 0 | 0 | 0 | 0 | 112.4 | I719 A720 Q721 S726 S727 V730 F739 | I719-V723 WeakPolarHBondContact O-CB 3.43Å; I719-V723 WeakPolarHBondContact O-CG2 3.43Å; I719-V723 PolarHBondContact O-N 3.19Å; I719-V723 VanDerWaalsContact O-N 3.12Å; A720-V723 PolarHBondContact O-N 3.44Å; Q721-V723 PolarHBondContact O-N 2.64Å; V723-S726 CarbonylContact O-C 3.58Å; V723-S726 PolarHBondContact O-N 3.23Å; V723-S727 VanDerWaalsContact O-CA 3.31Å; V723-S727 WeakPolarHBondContact O-CA 3.12Å; V723-S727 PolarHBondContact O-N 3.07Å; V723-V730 HydrophobicContact CG1-CG1 4.36Å; V723-V730 HydrophobicContact CG1-CG2 4.4Å; V723-F739 HydrophobicContact CG2-CB 3.62Å; V723-F739 HydrophobicContact CG2-CD1 3.38Å; V723-F739 HydrophobicContact CG2-CD2 4Å; V723-F739 HydrophobicContact CG2-CE1 3.98Å; V723-F739 HydrophobicContact CG2-CG 3.4Å |
| 724 | I | 89.7 | Confident | 86.5 | Confident | 125 Ų | 125 | 49 Ų | 49 | 64% | 0.641 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.8 | -44.7 | 178.9 | -70.8 | 165 | 0 | 0 | 0 | 110.5 | A720 Q721 S726 S727 | A720-I724 WeakPolarHBondContact O-CB 3.46Å; A720-I724 WeakPolarHBondContact O-CD1 3.38Å; A720-I724 VanDerWaalsContact O-CG1 3.22Å; A720-I724 WeakPolarHBondContact O-CG1 3.49Å; A720-I724 PolarHBondContact O-N 2.64Å; Q721-I724 PolarHBondContact O-N 3.44Å; I724-S726 PolarHBondContact O-N 3.01Å; I724-S727 VanDerWaalsContact O-CB 3.32Å; I724-S727 WeakPolarHBondContact O-CB 3.29Å; I724-S727 PolarHBondContact O-N 3.45Å; I724-S727 PolarHBondContact O-OG 3.07Å |
| 725 | G | 87 | Confident | 87.5 | Confident | 61 Ų | 61 | 44.9 Ų | 44.9 | 63% | 0.629 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64 | -25.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q721 | Q721-G725 PolarHBondContact O-N 3.48Å |
| 726 | S | 89 | Confident | 88.3 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 17.6 | -177.6 | -47.7 | 0 | 0 | 0 | 0 | 113.2 | V292 E722 V723 I724 Y728 T729 V730 | V292-S726 WeakPolarHBondContact CG1-OG 3.43Å; E722-S726 WeakPolarHBondContact O-CB 3.48Å; E722-S726 PolarHBondContact O-N 3.01Å; E722-S726 PolarHBondContact O-OG 3.33Å; V723-S726 CarbonylContact O-C 3.58Å; V723-S726 PolarHBondContact O-N 3.23Å; I724-S726 PolarHBondContact O-N 3.01Å; S726-Y728 VanDerWaalsContact C-N 3.34Å; S726-Y728 PolarHBondContact O-N 2.91Å; S726-T729 WeakPolarHBondContact O-CA 3.28Å; S726-T729 WeakPolarHBondContact O-CB 3.5Å; S726-T729 PolarHBondContact O-N 3.35Å; S726-V730 PolarHBondContact O-N 2.97Å |
| 727 | S | 90.3 | Very high | 88.7 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.2 | -32.9 | -161.9 | 46.6 | 0 | 0 | 0 | 0 | 115.5 | V723 I724 T731 | V723-S727 VanDerWaalsContact O-CA 3.31Å; V723-S727 WeakPolarHBondContact O-CA 3.12Å; V723-S727 PolarHBondContact O-N 3.07Å; I724-S727 VanDerWaalsContact O-CB 3.32Å; I724-S727 WeakPolarHBondContact O-CB 3.29Å; I724-S727 PolarHBondContact O-N 3.45Å; I724-S727 PolarHBondContact O-OG 3.07Å; S727-T731 VanDerWaalsContact O-CB 3.28Å; S727-T731 WeakPolarHBondContact O-CB 3.42Å; S727-T731 PolarHBondContact O-N 3.49Å; S727-T731 PolarHBondContact O-OG1 2.84Å |
| 728 | Y | 88.3 | Confident | 89.2 | Confident | 108 Ų | 108 | 45.3 Ų | 45.3 | 42% | 0.424 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.5 | -45.6 | 171.5 | -70.4 | -63 | 0 | 0 | 0 | 112 | F257 Y258 S726 T731 A732 | F257-Y728 AromaticContact CD2-CD1 3.63Å; F257-Y728 HydrophobicContact CD2-CD1 3.63Å; F257-Y728 AromaticContact CD2-CE1 3.97Å; F257-Y728 HydrophobicContact CD2-CE1 3.97Å; F257-Y728 AromaticContact CE2-CD1 3.55Å; F257-Y728 HydrophobicContact CE2-CD1 3.55Å; F257-Y728 HydrophobicContact CE2-CE1 4.33Å; F257-Y728 HydrophobicContact CE2-CG 4.29Å; F257-Y728 HydrophobicContact CG-CD1 4.39Å; F257-Y728 HydrophobicContact CZ-CD1 4.24Å; Y258-Y728 PolarHBondContact OH-OH 2.87Å; S726-Y728 VanDerWaalsContact C-N 3.34Å; S726-Y728 PolarHBondContact O-N 2.91Å; Y728-T731 PolarHBondContact O-N 2.96Å; Y728-A732 WeakPolarHBondContact O-CB 3.43Å; Y728-A732 PolarHBondContact O-N 3.41Å |
| 729 | T | 90.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 177.4 | -39.7 | 0 | 0 | 0 | 0 | 110.5 | Q288 V292 F294 S726 T731 A732 F733 | Q288-T729 PolarHBondContact OE1-OG1 2.89Å; V292-T729 HydrophobicContact CB-CG2 4.41Å; F294-T729 HydrophobicContact CE2-CG2 4.14Å; F294-T729 HydrophobicContact CZ-CG2 4.21Å; S726-T729 WeakPolarHBondContact O-CA 3.28Å; S726-T729 WeakPolarHBondContact O-CB 3.5Å; S726-T729 PolarHBondContact O-N 3.35Å; T729-T731 VanDerWaalsContact C-N 3.32Å; T729-T731 PolarHBondContact O-N 3.47Å; T729-A732 PolarHBondContact O-N 3.03Å; T729-F733 HydrophobicContact CG2-CD2 3.98Å; T729-F733 HydrophobicContact CG2-CE2 4.16Å; T729-F733 WeakPolarHBondContact O-CD2 3.16Å; T729-F733 PolarHBondContact O-N 3.45Å |
| 730 | V | 91.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | F294 V723 S726 T734 L735 E736 F739 | F294-V730 HydrophobicContact CE1-CG2 3.79Å; F294-V730 HydrophobicContact CZ-CG2 3.79Å; V723-V730 HydrophobicContact CG1-CG1 4.36Å; V723-V730 HydrophobicContact CG1-CG2 4.4Å; S726-V730 PolarHBondContact O-N 2.97Å; V730-T734 PolarHBondContact O-N 3Å; V730-T734 VanDerWaalsContact O-N 3.13Å; V730-L735 HydrophobicContact CG1-CB 3.95Å; V730-L735 PolarHBondContact O-N 3.15Å; V730-E736 HydrophobicContact CG1-CG 4.2Å; V730-F739 HydrophobicContact CG1-CD2 4.12Å; V730-F739 HydrophobicContact CG2-CD2 4.24Å; V730-F739 HydrophobicContact CG2-CE2 4.08Å |
| 731 | T | 90.7 | Very high | 90.1 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.1 | -35.3 | 179.3 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | K192 F257 R281 S727 Y728 T729 T734 | K192-T731 VanDerWaalsContact NZ-CG2 3.34Å; K192-T731 PolarHBondContact NZ-OG1 3.06Å; K192-T731 VanDerWaalsContact NZ-OG1 3.16Å; F257-T731 HydrophobicContact CD1-CG2 4.15Å; F257-T731 HydrophobicContact CE1-CG2 3.85Å; R281-T731 VanDerWaalsContact CD-O 3.3Å; R281-T731 WeakPolarHBondContact CD-O 3.37Å; S727-T731 VanDerWaalsContact O-CB 3.28Å; S727-T731 WeakPolarHBondContact O-CB 3.42Å; S727-T731 PolarHBondContact O-N 3.49Å; S727-T731 PolarHBondContact O-OG1 2.84Å; Y728-T731 PolarHBondContact O-N 2.96Å; T729-T731 VanDerWaalsContact C-N 3.32Å; T729-T731 PolarHBondContact O-N 3.47Å; T731-T734 PolarHBondContact O-N 2.98Å |
| 732 | A | 90 | Very high | 90.3 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F257 Y728 T729 T734 | F257-A732 HydrophobicContact CZ-CB 4.15Å; Y728-A732 WeakPolarHBondContact O-CB 3.43Å; Y728-A732 PolarHBondContact O-N 3.41Å; T729-A732 PolarHBondContact O-N 3.03Å; A732-T734 VanDerWaalsContact C-N 3.27Å; A732-T734 PolarHBondContact O-N 2.83Å |
| 733 | F | 90.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 8.6 | 179.8 | -71.4 | -80.7 | 0 | 0 | 0 | 113.6 | R357 A358 R361 T729 L735 | R357-F733 HydrophobicContact CG-CD1 4.32Å; R357-F733 HydrophobicContact CG-CE1 3.87Å; R357-F733 HydrophobicContact CG-CZ 4Å; R357-F733 WeakPolarHBondContact O-CE1 3.28Å; A358-F733 HydrophobicContact CB-CZ 4.45Å; R361-F733 PolarHBondContact NH2-O 2.99Å; T729-F733 HydrophobicContact CG2-CD2 3.98Å; T729-F733 HydrophobicContact CG2-CE2 4.16Å; T729-F733 WeakPolarHBondContact O-CD2 3.16Å; T729-F733 PolarHBondContact O-N 3.45Å; F733-L735 VanDerWaalsContact C-N 3.25Å; F733-L735 HydrophobicContact CB-CD1 3.66Å; F733-L735 HydrophobicContact CB-CG 3.84Å; F733-L735 PolarHBondContact O-N 2.9Å |
| 734 | T | 90.2 | Very high | 90.6 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 16% | 0.16 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 43.6 | 179.7 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | R281 N282 V730 T731 A732 E736 | R281-T734 HydrophobicContact CB-CG2 3.61Å; R281-T734 HydrophobicContact CG-CG2 4.38Å; N282-T734 PolarHBondContact OD1-OG1 2.89Å; V730-T734 PolarHBondContact O-N 3Å; V730-T734 VanDerWaalsContact O-N 3.13Å; T731-T734 PolarHBondContact O-N 2.98Å; A732-T734 VanDerWaalsContact C-N 3.27Å; A732-T734 PolarHBondContact O-N 2.83Å; T734-E736 WeakPolarHBondContact CA-OE2 3Å |
| 735 | L | 90.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | trans | -93.2 | 2.5 | -173 | -73.8 | 169.3 | 0 | 0 | 0 | 113.9 | L304 L307 V730 F733 D737 Y738 F739 | L304-L735 HydrophobicContact CB-CD1 3.96Å; L304-L735 HydrophobicContact CB-CD2 4.45Å; L304-L735 HydrophobicContact CD2-CD1 4.12Å; L304-L735 HydrophobicContact CD2-CD2 3.86Å; L304-L735 HydrophobicContact CG-CD1 4.45Å; L304-L735 WeakPolarHBondContact O-CD2 3.42Å; L307-L735 HydrophobicContact CD1-CD2 4.43Å; L307-L735 HydrophobicContact CD2-CD2 3.93Å; L307-L735 HydrophobicContact CG-CD2 4.38Å; V730-L735 HydrophobicContact CG1-CB 3.95Å; V730-L735 PolarHBondContact O-N 3.15Å; F733-L735 VanDerWaalsContact C-N 3.25Å; F733-L735 HydrophobicContact CB-CD1 3.66Å; F733-L735 HydrophobicContact CB-CG 3.84Å; F733-L735 PolarHBondContact O-N 2.9Å; L735-D737 VanDerWaalsContact C-N 3.33Å; L735-D737 PolarHBondContact O-N 2.91Å; L735-Y738 PolarHBondContact O-N 2.86Å; L735-Y738 VanDerWaalsContact O-N 3.14Å; L735-F739 HydrophobicContact CB-CD2 3.89Å; L735-F739 HydrophobicContact CB-CE2 3.98Å; L735-F739 HydrophobicContact CD1-CE2 4.19Å; L735-F739 WeakPolarHBondContact O-CD2 3.46Å; L735-F739 PolarHBondContact O-N 3.37Å | ||
| 736 | E | 90.4 | Very high | 90.5 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.9 | -46.7 | -176.2 | -58.4 | 92.7 | 146.8 | 0 | 0 | 111.7 | K192 V730 T734 Y738 F739 F740 | K192-E736 WeakPolarHBondContact CD-OE1 3.41Å; K192-E736 WeakPolarHBondContact CE-OE1 3.25Å; K192-E736 IonicContact NZ-OE1 2.65Å; K192-E736 PolarHBondContact NZ-OE1 3.27Å; V730-E736 HydrophobicContact CG1-CG 4.2Å; T734-E736 WeakPolarHBondContact CA-OE2 3Å; E736-Y738 VanDerWaalsContact C-N 3.29Å; E736-Y738 PolarHBondContact O-N 3.5Å; E736-F739 PolarHBondContact O-N 3.39Å; E736-F740 VanDerWaalsContact O-CB 3.25Å; E736-F740 WeakPolarHBondContact O-CB 3.49Å; E736-F740 PolarHBondContact O-N 2.66Å |
| 737 | D | 90.6 | Very high | 90.3 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.5 | -27.7 | -178.3 | -65 | -40.6 | 0 | 0 | 0 | 112.7 | K278 L735 K741 | K278-D737 IonicContact NZ-OD1 2.67Å; K278-D737 IonicContact NZ-OD2 3.88Å; K278-D737 PolarHBondContact NZ-OD2 3.33Å; L735-D737 VanDerWaalsContact C-N 3.33Å; L735-D737 PolarHBondContact O-N 2.91Å; D737-K741 WeakPolarHBondContact O-CD 3.3Å; D737-K741 VanDerWaalsContact O-CG 3.32Å; D737-K741 WeakPolarHBondContact O-CG 3.36Å; D737-K741 PolarHBondContact O-N 2.71Å |
| 738 | Y | 91.6 | Very high | 90.2 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -74.2 | -51.3 | 174.5 | 166.5 | -91.3 | 0 | 0 | 0 | 110.9 | L304 L307 L735 E736 F740 K741 R742 | L304-Y738 HydrophobicContact CD2-CD1 4.02Å; L304-Y738 HydrophobicContact CD2-CE1 3.71Å; L307-Y738 HydrophobicContact CD1-CD2 4.32Å; L307-Y738 HydrophobicContact CD1-CG 4.47Å; L307-Y738 HydrophobicContact CD2-CD2 3.99Å; L307-Y738 HydrophobicContact CD2-CE2 4.39Å; L307-Y738 HydrophobicContact CD2-CG 4.29Å; L735-Y738 PolarHBondContact O-N 2.86Å; L735-Y738 VanDerWaalsContact O-N 3.14Å; E736-Y738 VanDerWaalsContact C-N 3.29Å; E736-Y738 PolarHBondContact O-N 3.5Å; Y738-F740 VanDerWaalsContact C-N 3.32Å; Y738-F740 PolarHBondContact O-N 3.01Å; Y738-K741 PolarHBondContact O-N 3.32Å; Y738-R742 PolarHBondContact O-N 2.95Å |
| 739 | F | 92.4 | Very high | 90 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.7 | -32.8 | -179.7 | -80.4 | -73.4 | 0 | 0 | 0 | 112.4 | F294 L304 I719 V723 V730 L735 E736 R742 F743 | F294-F739 HydrophobicContact CD1-CE1 4.31Å; F294-F739 HydrophobicContact CD1-CE2 4.3Å; F294-F739 AromaticContact CD1-CZ 3.56Å; F294-F739 HydrophobicContact CD1-CZ 3.56Å; F294-F739 HydrophobicContact CE1-CE2 4Å; F294-F739 AromaticContact CE1-CZ 3.71Å; F294-F739 HydrophobicContact CE1-CZ 3.71Å; F294-F739 HydrophobicContact CG-CZ 4.13Å; F294-F739 HydrophobicContact CZ-CE2 4.37Å; F294-F739 HydrophobicContact CZ-CZ 4.4Å; L304-F739 HydrophobicContact CD1-CZ 4.45Å; I719-F739 HydrophobicContact CG2-CD1 4.29Å; V723-F739 HydrophobicContact CG2-CB 3.62Å; V723-F739 HydrophobicContact CG2-CD1 3.38Å; V723-F739 HydrophobicContact CG2-CD2 4Å; V723-F739 HydrophobicContact CG2-CE1 3.98Å; V723-F739 HydrophobicContact CG2-CG 3.4Å; V730-F739 HydrophobicContact CG1-CD2 4.12Å; V730-F739 HydrophobicContact CG2-CD2 4.24Å; V730-F739 HydrophobicContact CG2-CE2 4.08Å; L735-F739 HydrophobicContact CB-CD2 3.89Å; L735-F739 HydrophobicContact CB-CE2 3.98Å; L735-F739 HydrophobicContact CD1-CE2 4.19Å; L735-F739 WeakPolarHBondContact O-CD2 3.46Å; L735-F739 PolarHBondContact O-N 3.37Å; E736-F739 PolarHBondContact O-N 3.39Å; F739-R742 PolarHBondContact O-N 3.45Å; F739-F743 WeakPolarHBondContact O-CB 3.25Å; F739-F743 PolarHBondContact O-N 3.09Å |
| 740 | F | 91.8 | Very high | 89.4 | Confident | 129 Ų | 129 | 53.3 Ų | 53.3 | 57% | 0.566 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.3 | -48.3 | 172.6 | -177.6 | -94.4 | 0 | 0 | 0 | 111.7 | E736 Y738 R742 F743 E744 | E736-F740 VanDerWaalsContact O-CB 3.25Å; E736-F740 WeakPolarHBondContact O-CB 3.49Å; E736-F740 PolarHBondContact O-N 2.66Å; Y738-F740 VanDerWaalsContact C-N 3.32Å; Y738-F740 PolarHBondContact O-N 3.01Å; F740-R742 VanDerWaalsContact C-N 3.34Å; F740-R742 PolarHBondContact O-N 2.93Å; F740-F743 WeakPolarHBondContact O-CB 3.31Å; F740-F743 PolarHBondContact O-N 2.83Å; F740-E744 WeakPolarHBondContact O-CB 3.46Å; F740-E744 PolarHBondContact O-N 3.27Å |
| 741 | K | 93.2 | Very high | 88.9 | Confident | 137 Ų | 137 | 57.2 Ų | 57.2 | 60% | 0.596 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.3 | -37.2 | 175 | -71.6 | 169.7 | -177 | 171.5 | 0 | 112.6 | D737 Y738 E744 S745 | D737-K741 WeakPolarHBondContact O-CD 3.3Å; D737-K741 VanDerWaalsContact O-CG 3.32Å; D737-K741 WeakPolarHBondContact O-CG 3.36Å; D737-K741 PolarHBondContact O-N 2.71Å; Y738-K741 PolarHBondContact O-N 3.32Å; K741-E744 PolarHBondContact O-N 2.87Å; K741-S745 PolarHBondContact O-N 2.89Å; K741-S745 PolarHBondContact O-OG 3.49Å; K741-S745 VanDerWaalsContact O-OG 3.08Å |
| 742 | R | 90.2 | Very high | 88.5 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 174.2 | -171.3 | 175.6 | 168.3 | 175.9 | -8.6 | 111.4 | E295 I719 Y738 F739 F740 S745 H746 | E295-R742 PolarHBondContact O-NH2 3.45Å; I719-R742 HydrophobicContact CD1-CG 4.24Å; Y738-R742 PolarHBondContact O-N 2.95Å; F739-R742 PolarHBondContact O-N 3.45Å; F740-R742 VanDerWaalsContact C-N 3.34Å; F740-R742 PolarHBondContact O-N 2.93Å; R742-S745 PolarHBondContact O-OG 2.62Å; R742-H746 PolarHBondContact O-ND1 2.91Å |
| 743 | F | 91 | Very high | 87.9 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.8 | -47.2 | 173.4 | 176.5 | -88.4 | 0 | 0 | 0 | 112.4 | S716 I719 A720 F739 F740 S745 H746 A747 | S716-F743 VanDerWaalsContact O-CD2 3.23Å; S716-F743 WeakPolarHBondContact O-CD2 3.45Å; S716-F743 VanDerWaalsContact O-CE2 3.25Å; S716-F743 WeakPolarHBondContact O-CE2 3.47Å; I719-F743 HydrophobicContact CG2-CB 4.39Å; A720-F743 HydrophobicContact CB-CD2 4.26Å; A720-F743 HydrophobicContact CB-CE2 4.11Å; F739-F743 WeakPolarHBondContact O-CB 3.25Å; F739-F743 PolarHBondContact O-N 3.09Å; F740-F743 WeakPolarHBondContact O-CB 3.31Å; F740-F743 PolarHBondContact O-N 2.83Å; F743-S745 PolarHBondContact O-N 2.89Å; F743-H746 PolarHBondContact O-N 3.31Å; F743-A747 HydrophobicContact CE1-CB 4.37Å; F743-A747 WeakPolarHBondContact O-CB 3.2Å; F743-A747 PolarHBondContact O-N 3.24Å |
| 744 | E | 91.5 | Very high | 87.2 | Confident | 99 Ų | 99 | 68.2 Ų | 68.2 | 46% | 0.463 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.4 | -48.3 | -179.4 | -179.6 | -178.1 | -151.4 | 0 | 0 | 111.8 | F740 K741 H746 A747 V748 | F740-E744 WeakPolarHBondContact O-CB 3.46Å; F740-E744 PolarHBondContact O-N 3.27Å; K741-E744 PolarHBondContact O-N 2.87Å; E744-H746 VanDerWaalsContact C-N 3.34Å; E744-H746 PolarHBondContact O-N 2.98Å; E744-A747 PolarHBondContact O-N 3.44Å; E744-A747 VanDerWaalsContact O-N 3.12Å; E744-V748 HydrophobicContact CG-CG2 4.27Å; E744-V748 WeakPolarHBondContact O-CB 3.46Å; E744-V748 WeakPolarHBondContact O-CG2 3.36Å; E744-V748 PolarHBondContact O-N 2.95Å |
| 745 | S | 89.9 | Confident | 86.8 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 46% | 0.462 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.3 | -44.2 | -179.8 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | K741 R742 F743 E749 | K741-S745 PolarHBondContact O-N 2.89Å; K741-S745 PolarHBondContact O-OG 3.49Å; K741-S745 VanDerWaalsContact O-OG 3.08Å; R742-S745 PolarHBondContact O-OG 2.62Å; F743-S745 PolarHBondContact O-N 2.89Å; S745-E749 WeakPolarHBondContact O-CB 3.35Å; S745-E749 PolarHBondContact O-N 3.32Å |
| 746 | H | 85.7 | Confident | 86.2 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 174.9 | -69.3 | 78.9 | 0 | 0 | 0 | 112.3 | I719 R742 F743 E744 E749 N750 | I719-H746 HydrophobicContact CD1-CB 4.48Å; R742-H746 PolarHBondContact O-ND1 2.91Å; F743-H746 PolarHBondContact O-N 3.31Å; E744-H746 VanDerWaalsContact C-N 3.34Å; E744-H746 PolarHBondContact O-N 2.98Å; H746-E749 PolarHBondContact O-N 3.49Å; H746-N750 VanDerWaalsContact O-CB 3.3Å; H746-N750 WeakPolarHBondContact O-CB 3.17Å; H746-N750 VanDerWaalsContact O-CG 3.26Å; H746-N750 PolarHBondContact O-N 2.97Å; H746-N750 PolarHBondContact O-ND2 3.07Å |
| 747 | A | 83.8 | Confident | 85.4 | Confident | 32 Ų | 32 | 80.3 Ų | 80.3 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S716 F743 E744 N750 V751 | S716-A747 PolarHBondContact OG-N 3.43Å; F743-A747 HydrophobicContact CE1-CB 4.37Å; F743-A747 WeakPolarHBondContact O-CB 3.2Å; F743-A747 PolarHBondContact O-N 3.24Å; E744-A747 PolarHBondContact O-N 3.44Å; E744-A747 VanDerWaalsContact O-N 3.12Å; A747-N750 WeakPolarHBondContact O-CB 3.33Å; A747-N750 PolarHBondContact O-N 2.92Å; A747-V751 WeakPolarHBondContact O-CG2 3.37Å; A747-V751 PolarHBondContact O-N 2.98Å |
| 748 | V | 87.7 | Confident | 84.8 | Confident | 64 Ų | 64 | 81.5 Ų | 81.5 | 39% | 0.388 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | E744 V751 K752 | E744-V748 HydrophobicContact CG-CG2 4.27Å; E744-V748 WeakPolarHBondContact O-CB 3.46Å; E744-V748 WeakPolarHBondContact O-CG2 3.36Å; E744-V748 PolarHBondContact O-N 2.95Å; V748-V751 PolarHBondContact O-N 3.02Å; V748-K752 HydrophobicContact CG1-CD 4.23Å; V748-K752 WeakPolarHBondContact O-CG 3.36Å; V748-K752 PolarHBondContact O-N 2.99Å |
| 749 | E | 84.3 | Confident | 84.4 | Confident | 86 Ų | 86 | 84.5 Ų | 84.5 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 175.2 | -155.8 | -148.2 | -179.3 | 0 | 0 | 111.8 | S745 H746 V751 K752 K753 | S745-E749 WeakPolarHBondContact O-CB 3.35Å; S745-E749 PolarHBondContact O-N 3.32Å; H746-E749 PolarHBondContact O-N 3.49Å; E749-V751 PolarHBondContact O-N 2.84Å; E749-K752 PolarHBondContact O-N 3.43Å; E749-K753 HydrophobicContact CG-CD 4.49Å; E749-K753 WeakPolarHBondContact O-CB 3.35Å; E749-K753 WeakPolarHBondContact O-CG 3.47Å; E749-K753 PolarHBondContact O-N 3.44Å; E749-K753 WeakPolarHBondContact OE1-CE 3.5Å; E749-K753 IonicContact OE1-NZ 3.06Å; E749-K753 PolarHBondContact OE1-NZ 3.47Å; E749-K753 IonicContact OE2-NZ 3.82Å; E749-K753 PolarHBondContact OE2-NZ 2.95Å |
| 750 | N | 79.5 | Confident | 83.7 | Confident | 17 Ų | 17 | 89.2 Ų | 89.2 | 9% | 0.091 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 173.7 | -80.5 | -28 | 0 | 0 | 0 | 112.4 | N712 S716 H746 A747 N754 | N712-N750 WeakPolarHBondContact CB-OD1 3.33Å; N712-N750 PolarHBondContact O-ND2 3.44Å; N712-N750 PolarHBondContact O-OD1 3.45Å; S716-N750 PolarHBondContact OG-ND2 3.36Å; H746-N750 VanDerWaalsContact O-CB 3.3Å; H746-N750 WeakPolarHBondContact O-CB 3.17Å; H746-N750 VanDerWaalsContact O-CG 3.26Å; H746-N750 PolarHBondContact O-N 2.97Å; H746-N750 PolarHBondContact O-ND2 3.07Å; A747-N750 WeakPolarHBondContact O-CB 3.33Å; A747-N750 PolarHBondContact O-N 2.92Å; N750-N754 VanDerWaalsContact O-CB 3.3Å; N750-N754 WeakPolarHBondContact O-CB 3.44Å; N750-N754 VanDerWaalsContact O-CG 3.3Å; N750-N754 PolarHBondContact O-N 3.19Å; N750-N754 PolarHBondContact O-ND2 3.44Å |
| 751 | V | 80.7 | Confident | 82.9 | Confident | 86 Ų | 86 | 85 Ų | 85 | 52% | 0.521 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 171 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | A747 V748 E749 K753 N754 L755 | A747-V751 WeakPolarHBondContact O-CG2 3.37Å; A747-V751 PolarHBondContact O-N 2.98Å; V748-V751 PolarHBondContact O-N 3.02Å; E749-V751 PolarHBondContact O-N 2.84Å; V751-K753 VanDerWaalsContact C-N 3.35Å; V751-K753 PolarHBondContact O-N 3.13Å; V751-N754 PolarHBondContact O-N 3.39Å; V751-L755 HydrophobicContact CG1-CD1 4.04Å; V751-L755 HydrophobicContact CG1-CG 4.24Å; V751-L755 WeakPolarHBondContact O-CG 3.48Å; V751-L755 PolarHBondContact O-N 2.87Å |
| 752 | K | 83.4 | Confident | 82.3 | Confident | 138 Ų | 138 | 81 Ų | 81 | 60% | 0.6 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.3 | -42.4 | 177.6 | -72.9 | 170.4 | 179.8 | 174.8 | 0 | 112.6 | V748 E749 | V748-K752 HydrophobicContact CG1-CD 4.23Å; V748-K752 WeakPolarHBondContact O-CG 3.36Å; V748-K752 PolarHBondContact O-N 2.99Å; E749-K752 PolarHBondContact O-N 3.43Å |
| 753 | K | 76.3 | Confident | 82.1 | Confident | 91 Ų | 91 | 81 Ų | 81 | 40% | 0.396 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 174.6 | -74.1 | 167.7 | 176.5 | 166.2 | 0 | 111.4 | E749 V751 | E749-K753 HydrophobicContact CG-CD 4.49Å; E749-K753 WeakPolarHBondContact O-CB 3.35Å; E749-K753 WeakPolarHBondContact O-CG 3.47Å; E749-K753 PolarHBondContact O-N 3.44Å; E749-K753 WeakPolarHBondContact OE1-CE 3.5Å; E749-K753 IonicContact OE1-NZ 3.06Å; E749-K753 PolarHBondContact OE1-NZ 3.47Å; E749-K753 IonicContact OE2-NZ 3.82Å; E749-K753 PolarHBondContact OE2-NZ 2.95Å; V751-K753 VanDerWaalsContact C-N 3.35Å; V751-K753 PolarHBondContact O-N 3.13Å |
| 754 | N | 77.2 | Confident | 81.5 | Confident | 38 Ų | 38 | 79.4 Ų | 79.4 | 20% | 0.203 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.8 | -31.7 | -179 | -76.9 | -18.8 | 0 | 0 | 0 | 113.7 | N750 V751 K756 T757 I758 | N750-N754 VanDerWaalsContact O-CB 3.3Å; N750-N754 WeakPolarHBondContact O-CB 3.44Å; N750-N754 VanDerWaalsContact O-CG 3.3Å; N750-N754 PolarHBondContact O-N 3.19Å; N750-N754 PolarHBondContact O-ND2 3.44Å; V751-N754 PolarHBondContact O-N 3.39Å; N754-K756 VanDerWaalsContact C-N 3.31Å; N754-K756 PolarHBondContact O-N 3.48Å; N754-T757 CarbonylContact O-C 3.59Å; N754-T757 WeakPolarHBondContact O-CA 3.39Å; N754-T757 WeakPolarHBondContact O-CB 3.39Å; N754-T757 PolarHBondContact O-N 2.98Å; N754-I758 HydrophobicContact CB-CD1 4.49Å; N754-I758 WeakPolarHBondContact O-CG1 3.46Å; N754-I758 PolarHBondContact O-N 3.21Å |
| 755 | L | 81.7 | Confident | 80.8 | Confident | 99 Ų | 99 | 77.7 Ų | 77.7 | 52% | 0.518 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.7 | -40.3 | 179.4 | -82.2 | 169 | 0 | 0 | 0 | 113 | V751 T757 I758 F759 | V751-L755 HydrophobicContact CG1-CD1 4.04Å; V751-L755 HydrophobicContact CG1-CG 4.24Å; V751-L755 WeakPolarHBondContact O-CG 3.48Å; V751-L755 PolarHBondContact O-N 2.87Å; L755-T757 VanDerWaalsContact C-N 3.32Å; L755-T757 PolarHBondContact O-N 3.33Å; L755-I758 PolarHBondContact O-N 3.42Å; L755-F759 WeakPolarHBondContact O-CB 3.14Å; L755-F759 PolarHBondContact O-N 3.43Å |
| 756 | K | 77.2 | Confident | 80.6 | Confident | 172 Ų | 172 | 77 Ų | 77 | 75% | 0.748 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.5 | -40.4 | 174.5 | -69.5 | -173.6 | 176.6 | -176.8 | 0 | 112 | N754 F760 | N754-K756 VanDerWaalsContact C-N 3.31Å; N754-K756 PolarHBondContact O-N 3.48Å; K756-F760 WeakPolarHBondContact O-CB 3.27Å; K756-F760 PolarHBondContact O-N 3.33Å; K756-F760 VanDerWaalsContact O-N 3.07Å |
| 757 | T | 74.4 | Confident | 80.5 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 34% | 0.337 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.6 | -38.7 | 176.4 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | N754 L755 N761 | N754-T757 CarbonylContact O-C 3.59Å; N754-T757 WeakPolarHBondContact O-CA 3.39Å; N754-T757 WeakPolarHBondContact O-CB 3.39Å; N754-T757 PolarHBondContact O-N 2.98Å; L755-T757 VanDerWaalsContact C-N 3.32Å; L755-T757 PolarHBondContact O-N 3.33Å; T757-N761 VanDerWaalsContact O-CB 3.28Å; T757-N761 WeakPolarHBondContact O-CB 3.28Å; T757-N761 PolarHBondContact O-N 3.43Å; T757-N761 PolarHBondContact O-ND2 2.9Å |
| 758 | I | 76.9 | Confident | 80.2 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 175.5 | -67.7 | 164 | 0 | 0 | 0 | 110.3 | N754 L755 N761 A762 | N754-I758 HydrophobicContact CB-CD1 4.49Å; N754-I758 WeakPolarHBondContact O-CG1 3.46Å; N754-I758 PolarHBondContact O-N 3.21Å; L755-I758 PolarHBondContact O-N 3.42Å; I758-N761 PolarHBondContact O-N 3.37Å; I758-A762 WeakPolarHBondContact O-CB 3.49Å; I758-A762 PolarHBondContact O-N 3.08Å |
| 759 | F | 83.6 | Confident | 79.8 | Confident | 145 Ų | 145 | 77.2 Ų | 77.2 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.2 | -47.3 | 177.9 | -177.1 | -105 | 0 | 0 | 0 | 112.2 | L755 N761 A762 I763 | L755-F759 WeakPolarHBondContact O-CB 3.14Å; L755-F759 PolarHBondContact O-N 3.43Å; F759-N761 PolarHBondContact O-N 3.33Å; F759-A762 PolarHBondContact O-N 2.96Å; F759-I763 HydrophobicContact CD1-CD1 3.97Å; F759-I763 HydrophobicContact CE1-CD1 3.46Å; F759-I763 VanDerWaalsContact CE1-CD1 3.46Å; F759-I763 HydrophobicContact CE2-CD1 4.34Å; F759-I763 HydrophobicContact CZ-CD1 3.68Å; F759-I763 PolarHBondContact O-N 2.83Å |
| 760 | F | 79 | Confident | 80 | Confident | 104 Ų | 104 | 75.7 Ų | 75.7 | 46% | 0.456 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 174.8 | 179.9 | -93.5 | 0 | 0 | 0 | 112 | K756 A762 I763 M764 | K756-F760 WeakPolarHBondContact O-CB 3.27Å; K756-F760 PolarHBondContact O-N 3.33Å; K756-F760 VanDerWaalsContact O-N 3.07Å; F760-A762 VanDerWaalsContact C-N 3.32Å; F760-A762 PolarHBondContact O-N 3.12Å; F760-I763 PolarHBondContact O-N 2.91Å; F760-M764 HydrophobicContact CD1-CG 3.99Å; F760-M764 HydrophobicContact CE1-CG 3.54Å; F760-M764 HydrophobicContact CE1-SD 4.23Å; F760-M764 HydrophobicContact CE2-CE 3.98Å; F760-M764 HydrophobicContact CE2-CG 4.36Å; F760-M764 HydrophobicContact CE2-SD 4.4Å; F760-M764 HydrophobicContact CZ-CE 4.04Å; F760-M764 HydrophobicContact CZ-CG 3.75Å; F760-M764 HydrophobicContact CZ-SD 3.85Å; F760-M764 WeakPolarHBondContact O-CG 3.14Å; F760-M764 PolarHBondContact O-N 3.05Å |
| 761 | N | 74.2 | Confident | 80.3 | Confident | 42 Ų | 42 | 75.6 Ų | 75.6 | 23% | 0.225 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 177.8 | -74 | -17.6 | 0 | 0 | 0 | 112.4 | T703 T757 I758 F759 M764 Y765 | T703-N761 HydrophobicContact CG2-CB 3.77Å; T757-N761 VanDerWaalsContact O-CB 3.28Å; T757-N761 WeakPolarHBondContact O-CB 3.28Å; T757-N761 PolarHBondContact O-N 3.43Å; T757-N761 PolarHBondContact O-ND2 2.9Å; I758-N761 PolarHBondContact O-N 3.37Å; F759-N761 PolarHBondContact O-N 3.33Å; N761-M764 PolarHBondContact O-N 3.46Å; N761-Y765 VanDerWaalsContact O-CB 3.3Å; N761-Y765 WeakPolarHBondContact O-CB 3.24Å; N761-Y765 PolarHBondContact O-N 3.5Å |
| 762 | A | 80.9 | Confident | 80.4 | Confident | 53 Ų | 53 | 73 Ų | 73 | 44% | 0.438 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I758 F759 F760 Y765 A766 | I758-A762 WeakPolarHBondContact O-CB 3.49Å; I758-A762 PolarHBondContact O-N 3.08Å; F759-A762 PolarHBondContact O-N 2.96Å; F760-A762 VanDerWaalsContact C-N 3.32Å; F760-A762 PolarHBondContact O-N 3.12Å; A762-Y765 PolarHBondContact O-N 3.42Å; A762-A766 WeakPolarHBondContact O-CB 3.38Å; A762-A766 PolarHBondContact O-N 2.82Å |
| 763 | I | 85.1 | Confident | 80.6 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 36% | 0.359 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 173.8 | -67.5 | 173.5 | 0 | 0 | 0 | 110.7 | F759 F760 Y765 A766 I767 | F759-I763 HydrophobicContact CD1-CD1 3.97Å; F759-I763 HydrophobicContact CE1-CD1 3.46Å; F759-I763 VanDerWaalsContact CE1-CD1 3.46Å; F759-I763 HydrophobicContact CE2-CD1 4.34Å; F759-I763 HydrophobicContact CZ-CD1 3.68Å; F759-I763 PolarHBondContact O-N 2.83Å; F760-I763 PolarHBondContact O-N 2.91Å; I763-Y765 VanDerWaalsContact C-N 3.27Å; I763-Y765 PolarHBondContact O-N 2.95Å; I763-A766 PolarHBondContact O-N 2.76Å; I763-I767 HydrophobicContact CG2-CD1 3.77Å; I763-I767 HydrophobicContact CG2-CG1 4.43Å; I763-I767 WeakPolarHBondContact O-CG1 3.22Å; I763-I767 PolarHBondContact O-N 3.02Å |
| 764 | M | 78.3 | Confident | 81.3 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.9 | -38.9 | 177.9 | -67.8 | -63 | 107.4 | 0 | 0 | 112.1 | F699 F760 N761 I767 A768 | F699-M764 HydrophobicContact CB-CB 4.42Å; F699-M764 HydrophobicContact CD1-CB 4.46Å; F699-M764 HydrophobicContact CD1-CG 4.45Å; F699-M764 HydrophobicContact CE2-SD 4.39Å; F699-M764 HydrophobicContact CG-CB 4.3Å; F699-M764 HydrophobicContact CZ-SD 4.47Å; F760-M764 HydrophobicContact CD1-CG 3.99Å; F760-M764 HydrophobicContact CE1-CG 3.54Å; F760-M764 HydrophobicContact CE1-SD 4.23Å; F760-M764 HydrophobicContact CE2-CE 3.98Å; F760-M764 HydrophobicContact CE2-CG 4.36Å; F760-M764 HydrophobicContact CE2-SD 4.4Å; F760-M764 HydrophobicContact CZ-CE 4.04Å; F760-M764 HydrophobicContact CZ-CG 3.75Å; F760-M764 HydrophobicContact CZ-SD 3.85Å; F760-M764 WeakPolarHBondContact O-CG 3.14Å; F760-M764 PolarHBondContact O-N 3.05Å; N761-M764 PolarHBondContact O-N 3.46Å; M764-I767 HydrophobicContact CE-CD1 4.11Å; M764-A768 WeakPolarHBondContact O-CB 3.33Å; M764-A768 PolarHBondContact O-N 3.14Å |
| 765 | Y | 77.5 | Confident | 81.8 | Confident | 64 Ų | 64 | 73.7 Ų | 73.7 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 176.1 | 175.3 | -109 | 0 | 0 | 0 | 113.1 | K10 Q700 N761 A762 I763 I767 A768 E769 | K10-Y765 PolarHBondContact NZ-OH 3.2Å; Q700-Y765 HydrophobicContact CB-CD2 4.33Å; Q700-Y765 HydrophobicContact CG-CD2 4.14Å; Q700-Y765 HydrophobicContact CG-CE2 4.01Å; N761-Y765 VanDerWaalsContact O-CB 3.3Å; N761-Y765 WeakPolarHBondContact O-CB 3.24Å; N761-Y765 PolarHBondContact O-N 3.5Å; A762-Y765 PolarHBondContact O-N 3.42Å; I763-Y765 VanDerWaalsContact C-N 3.27Å; I763-Y765 PolarHBondContact O-N 2.95Å; Y765-I767 VanDerWaalsContact C-N 3.33Å; Y765-I767 PolarHBondContact O-N 3.42Å; Y765-A768 WeakPolarHBondContact O-CB 3.46Å; Y765-A768 PolarHBondContact O-N 3.34Å; Y765-E769 HydrophobicContact CE2-CG 4.12Å; Y765-E769 PolarHBondContact O-N 3.49Å; Y765-E769 VanDerWaalsContact O-N 3.11Å |
| 766 | A | 84.6 | Confident | 82.1 | Confident | 52 Ų | 52 | 71 Ų | 71 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A762 I763 S770 | A762-A766 WeakPolarHBondContact O-CB 3.38Å; A762-A766 PolarHBondContact O-N 2.82Å; I763-A766 PolarHBondContact O-N 2.76Å; A766-S770 VanDerWaalsContact O-CB 3.22Å; A766-S770 WeakPolarHBondContact O-CB 3.46Å; A766-S770 PolarHBondContact O-N 2.95Å; A766-S770 VanDerWaalsContact O-N 3.07Å; A766-S770 PolarHBondContact O-OG 2.93Å |
| 767 | I | 84.5 | Confident | 82.8 | Confident | 89 Ų | 89 | 65.6 Ų | 65.6 | 46% | 0.456 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 173.1 | -67.2 | 168.1 | 0 | 0 | 0 | 110.3 | I763 M764 Y765 E769 S770 V771 | I763-I767 HydrophobicContact CG2-CD1 3.77Å; I763-I767 HydrophobicContact CG2-CG1 4.43Å; I763-I767 WeakPolarHBondContact O-CG1 3.22Å; I763-I767 PolarHBondContact O-N 3.02Å; M764-I767 HydrophobicContact CE-CD1 4.11Å; Y765-I767 VanDerWaalsContact C-N 3.33Å; Y765-I767 PolarHBondContact O-N 3.42Å; I767-E769 PolarHBondContact O-N 2.94Å; I767-S770 PolarHBondContact O-N 3.33Å; I767-V771 HydrophobicContact CG2-CG2 4.14Å; I767-V771 WeakPolarHBondContact O-CB 3.36Å; I767-V771 VanDerWaalsContact O-CG2 3.27Å; I767-V771 WeakPolarHBondContact O-CG2 3.27Å; I767-V771 PolarHBondContact O-N 2.97Å |
| 768 | A | 78.4 | Confident | 83.7 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 12% | 0.124 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.9 | -48.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M764 Y765 | M764-A768 WeakPolarHBondContact O-CB 3.33Å; M764-A768 PolarHBondContact O-N 3.14Å; Y765-A768 WeakPolarHBondContact O-CB 3.46Å; Y765-A768 PolarHBondContact O-N 3.34Å |
| 769 | E | 78.9 | Confident | 84.3 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 27% | 0.271 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.6 | -41.4 | 177 | -68.1 | -87.1 | -151.1 | 0 | 0 | 111.1 | K10 Y765 I767 V771 L772 F773 | K10-E769 IonicContact NZ-OE1 2.71Å; K10-E769 PolarHBondContact NZ-OE1 3.35Å; Y765-E769 HydrophobicContact CE2-CG 4.12Å; Y765-E769 PolarHBondContact O-N 3.49Å; Y765-E769 VanDerWaalsContact O-N 3.11Å; I767-E769 PolarHBondContact O-N 2.94Å; E769-V771 PolarHBondContact O-N 3.13Å; E769-L772 WeakPolarHBondContact O-CB 3.45Å; E769-L772 PolarHBondContact O-N 3.26Å; E769-F773 WeakPolarHBondContact O-CD2 3.43Å |
| 770 | S | 87.8 | Confident | 84.7 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 38% | 0.378 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | -178.9 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | A766 I767 L772 F773 F774 | A766-S770 VanDerWaalsContact O-CB 3.22Å; A766-S770 WeakPolarHBondContact O-CB 3.46Å; A766-S770 PolarHBondContact O-N 2.95Å; A766-S770 VanDerWaalsContact O-N 3.07Å; A766-S770 PolarHBondContact O-OG 2.93Å; I767-S770 PolarHBondContact O-N 3.33Å; S770-L772 PolarHBondContact O-N 3.47Å; S770-L772 VanDerWaalsContact O-N 3.16Å; S770-F773 PolarHBondContact O-N 3.44Å; S770-F773 VanDerWaalsContact O-N 3.08Å; S770-F774 WeakPolarHBondContact O-CD2 3.32Å; S770-F774 PolarHBondContact O-N 3.02Å |
| 771 | V | 86.6 | Confident | 85.3 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54 | -34.2 | 177.8 | 160.7 | 0 | 0 | 0 | 0 | 112 | F689 L692 I693 I767 E769 F774 A775 | F689-V771 HydrophobicContact CD1-CG1 4.46Å; L692-V771 HydrophobicContact CB-CG1 3.67Å; L692-V771 HydrophobicContact CB-CG2 4.22Å; L692-V771 HydrophobicContact CD1-CG2 4.48Å; I693-V771 HydrophobicContact CG1-CG1 3.71Å; I767-V771 HydrophobicContact CG2-CG2 4.14Å; I767-V771 WeakPolarHBondContact O-CB 3.36Å; I767-V771 VanDerWaalsContact O-CG2 3.27Å; I767-V771 WeakPolarHBondContact O-CG2 3.27Å; I767-V771 PolarHBondContact O-N 2.97Å; E769-V771 PolarHBondContact O-N 3.13Å; V771-F774 PolarHBondContact O-N 3.35Å; V771-A775 WeakPolarHBondContact O-CB 3.27Å; V771-A775 PolarHBondContact O-N 3.12Å |
| 772 | L | 82.2 | Confident | 86.2 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 179.6 | -167 | 65.1 | 0 | 0 | 0 | 111.6 | I693 E769 S770 A775 V776 | I693-L772 HydrophobicContact CD1-CD1 4.07Å; I693-L772 HydrophobicContact CG1-CD1 4.49Å; E769-L772 WeakPolarHBondContact O-CB 3.45Å; E769-L772 PolarHBondContact O-N 3.26Å; S770-L772 PolarHBondContact O-N 3.47Å; S770-L772 VanDerWaalsContact O-N 3.16Å; L772-A775 PolarHBondContact O-N 3.06Å; L772-V776 WeakPolarHBondContact O-CG2 3.39Å; L772-V776 PolarHBondContact O-N 3.19Å |
| 773 | F | 87.5 | Confident | 86.7 | Confident | 142 Ų | 142 | 53.1 Ų | 53.1 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -71 | -36.9 | 178.5 | -63.2 | -81.8 | 0 | 0 | 0 | 112.2 | E769 S770 V776 A777 | E769-F773 WeakPolarHBondContact O-CD2 3.43Å; S770-F773 PolarHBondContact O-N 3.44Å; S770-F773 VanDerWaalsContact O-N 3.08Å; F773-V776 WeakPolarHBondContact O-CB 3.38Å; F773-V776 PolarHBondContact O-N 2.99Å; F773-A777 WeakPolarHBondContact O-CB 3Å; F773-A777 PolarHBondContact O-N 2.81Å |
| 774 | F | 90.7 | Very high | 87.1 | Confident | 134 Ų | 134 | 52.8 Ų | 52.8 | 59% | 0.588 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64 | -41 | 172.3 | -66.9 | -58.8 | 0 | 0 | 0 | 112.1 | F689 S770 V771 V776 A777 A778 | F689-F774 HydrophobicContact CE1-CB 4.02Å; S770-F774 WeakPolarHBondContact O-CD2 3.32Å; S770-F774 PolarHBondContact O-N 3.02Å; V771-F774 PolarHBondContact O-N 3.35Å; F774-V776 PolarHBondContact O-N 3.04Å; F774-A777 PolarHBondContact O-N 3.2Å; F774-A778 VanDerWaalsContact O-CB 3.32Å; F774-A778 WeakPolarHBondContact O-CB 3.42Å; F774-A778 PolarHBondContact O-N 3.47Å |
| 775 | A | 88.5 | Confident | 87.8 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F689 I693 V771 L772 A779 | F689-A775 HydrophobicContact CB-CB 3.7Å; F689-A775 HydrophobicContact CD1-CB 3.95Å; F689-A775 HydrophobicContact CD2-CB 4.12Å; F689-A775 HydrophobicContact CG-CB 3.65Å; I693-A775 HydrophobicContact CD1-CB 4.36Å; V771-A775 WeakPolarHBondContact O-CB 3.27Å; V771-A775 PolarHBondContact O-N 3.12Å; L772-A775 PolarHBondContact O-N 3.06Å; A775-A779 WeakPolarHBondContact O-CB 3.49Å; A775-A779 PolarHBondContact O-N 2.87Å |
| 776 | V | 88.1 | Confident | 88.5 | Confident | 43 Ų | 43 | 54 Ų | 54 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.2 | -51.6 | 173.3 | 171.5 | 0 | 0 | 0 | 0 | 111 | L772 F773 F774 A778 A779 Y780 F801 | L772-V776 WeakPolarHBondContact O-CG2 3.39Å; L772-V776 PolarHBondContact O-N 3.19Å; F773-V776 WeakPolarHBondContact O-CB 3.38Å; F773-V776 PolarHBondContact O-N 2.99Å; F774-V776 PolarHBondContact O-N 3.04Å; V776-A778 PolarHBondContact O-N 2.96Å; V776-A779 PolarHBondContact O-N 3.48Å; V776-Y780 HydrophobicContact CG1-CD2 3.79Å; V776-Y780 HydrophobicContact CG1-CE2 3.86Å; V776-Y780 VanDerWaalsContact O-CD2 3.32Å; V776-Y780 WeakPolarHBondContact O-CD2 3.3Å; V776-Y780 PolarHBondContact O-N 3.5Å; V776-F801 HydrophobicContact CB-CE2 4.38Å; V776-F801 HydrophobicContact CG2-CE2 3.75Å; V776-F801 HydrophobicContact CG2-CZ 3.65Å |
| 777 | A | 92.2 | Very high | 88.9 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | F773 F774 S781 | F773-A777 WeakPolarHBondContact O-CB 3Å; F773-A777 PolarHBondContact O-N 2.81Å; F774-A777 PolarHBondContact O-N 3.2Å; A777-S781 WeakPolarHBondContact O-CB 3.41Å; A777-S781 PolarHBondContact O-N 3.41Å; A777-S781 PolarHBondContact O-OG 3.4Å; A777-S781 VanDerWaalsContact O-OG 3.12Å |
| 778 | A | 92.2 | Very high | 89.3 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L685 F689 F774 V776 S781 L782 | L685-A778 HydrophobicContact CD2-CB 4.11Å; L685-A778 VanDerWaalsContact CD2-O 3.29Å; L685-A778 WeakPolarHBondContact CD2-O 3.18Å; F689-A778 HydrophobicContact CE2-CB 3.76Å; F689-A778 HydrophobicContact CZ-CB 3.91Å; F774-A778 VanDerWaalsContact O-CB 3.32Å; F774-A778 WeakPolarHBondContact O-CB 3.42Å; F774-A778 PolarHBondContact O-N 3.47Å; V776-A778 PolarHBondContact O-N 2.96Å; A778-S781 PolarHBondContact O-OG 2.86Å; A778-L782 PolarHBondContact O-N 2.98Å; A778-L782 VanDerWaalsContact O-N 3.13Å |
| 779 | A | 90.2 | Very high | 90 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L682 I686 A775 V776 G783 F801 | L682-A779 HydrophobicContact CD1-CB 4.37Å; L682-A779 WeakPolarHBondContact CD1-O 3.48Å; I686-A779 HydrophobicContact CD1-CB 3.74Å; I686-A779 HydrophobicContact CG1-CB 3.98Å; A775-A779 WeakPolarHBondContact O-CB 3.49Å; A775-A779 PolarHBondContact O-N 2.87Å; V776-A779 PolarHBondContact O-N 3.48Å; A779-G783 WeakPolarHBondContact O-CA 3.3Å; A779-G783 PolarHBondContact O-N 2.87Å; A779-F801 HydrophobicContact CB-CD2 3.94Å |
| 780 | Y | 91.1 | Very high | 90.4 | Very high | 87 Ų | 87 | 62.9 Ų | 62.9 | 34% | 0.341 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -76.7 | -31.9 | 179.5 | -73.5 | -57.1 | 0 | 0 | 0 | 113.7 | V776 A784 V797 F798 | V776-Y780 HydrophobicContact CG1-CD2 3.79Å; V776-Y780 HydrophobicContact CG1-CE2 3.86Å; V776-Y780 VanDerWaalsContact O-CD2 3.32Å; V776-Y780 WeakPolarHBondContact O-CD2 3.3Å; V776-Y780 PolarHBondContact O-N 3.5Å; Y780-A784 VanDerWaalsContact O-CB 3.26Å; Y780-A784 WeakPolarHBondContact O-CB 3.37Å; Y780-A784 PolarHBondContact O-N 2.93Å; Y780-V797 HydrophobicContact CD1-CG1 4.25Å; Y780-V797 HydrophobicContact CE1-CG1 4.44Å; Y780-F798 AromaticContact CE1-CD1 3.89Å; Y780-F798 HydrophobicContact CE1-CD1 3.89Å; Y780-F798 AromaticContact CE1-CE1 3.61Å; Y780-F798 HydrophobicContact CE1-CE1 3.61Å; Y780-F798 AromaticContact CZ-CE1 3.95Å |
| 781 | S | 92.4 | Very high | 90.4 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.5 | -46.6 | 176.6 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | A777 A778 H785 | A777-S781 WeakPolarHBondContact O-CB 3.41Å; A777-S781 PolarHBondContact O-N 3.41Å; A777-S781 PolarHBondContact O-OG 3.4Å; A777-S781 VanDerWaalsContact O-OG 3.12Å; A778-S781 PolarHBondContact O-OG 2.86Å; S781-H785 PolarHBondContact O-N 2.96Å; S781-H785 VanDerWaalsContact O-N 3.16Å |
| 782 | L | 92.5 | Very high | 90.5 | Very high | 51 Ų | 51 | 64.3 Ų | 64.3 | 27% | 0.267 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 172.3 | -179.2 | 62.6 | 0 | 0 | 0 | 111.1 | L682 L685 A778 A784 H785 L786 | L682-L782 HydrophobicContact CD1-CD2 4.44Å; L685-L782 HydrophobicContact CB-CD2 3.95Å; L685-L782 HydrophobicContact CD2-CB 3.68Å; L685-L782 HydrophobicContact CD2-CD2 3.53Å; L685-L782 HydrophobicContact CD2-CG 4.23Å; L685-L782 HydrophobicContact CG-CD2 4.34Å; A778-L782 PolarHBondContact O-N 2.98Å; A778-L782 VanDerWaalsContact O-N 3.13Å; L782-A784 PolarHBondContact O-N 3.12Å; L782-H785 PolarHBondContact O-N 3.49Å; L782-L786 HydrophobicContact CD1-CD1 3.88Å; L782-L786 HydrophobicContact CD1-CD2 4.49Å; L782-L786 HydrophobicContact CD1-CG 3.95Å; L782-L786 HydrophobicContact CD2-CD1 4.13Å; L782-L786 HydrophobicContact CG-CD1 3.68Å; L782-L786 HydrophobicContact CG-CG 4.17Å; L782-L786 WeakPolarHBondContact O-CG 3.48Å; L782-L786 PolarHBondContact O-N 3.23Å |
| 783 | G | 92.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A779 H785 L786 V787 | A779-G783 WeakPolarHBondContact O-CA 3.3Å; A779-G783 PolarHBondContact O-N 2.87Å; G783-H785 PolarHBondContact O-N 3.31Å; G783-L786 PolarHBondContact O-N 3.44Å; G783-V787 WeakPolarHBondContact O-CB 3.49Å; G783-V787 VanDerWaalsContact O-CG2 3.26Å; G783-V787 WeakPolarHBondContact O-CG2 3.3Å; G783-V787 PolarHBondContact O-N 3.44Å |
| 784 | A | 92.3 | Very high | 90.8 | Very high | 63 Ų | 63 | 64.4 Ų | 64.4 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y780 L782 S788 | Y780-A784 VanDerWaalsContact O-CB 3.26Å; Y780-A784 WeakPolarHBondContact O-CB 3.37Å; Y780-A784 PolarHBondContact O-N 2.93Å; L782-A784 PolarHBondContact O-N 3.12Å; A784-S788 WeakPolarHBondContact O-CB 3.47Å; A784-S788 PolarHBondContact O-N 3.44Å |
| 785 | H | 93.4 | Very high | 90.7 | Very high | 118 Ų | 118 | 59.3 Ų | 59.3 | 55% | 0.546 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 175.1 | -175.3 | 77.1 | 0 | 0 | 0 | 112 | S781 L782 G783 V787 S788 T789 | S781-H785 PolarHBondContact O-N 2.96Å; S781-H785 VanDerWaalsContact O-N 3.16Å; L782-H785 PolarHBondContact O-N 3.49Å; G783-H785 PolarHBondContact O-N 3.31Å; H785-V787 VanDerWaalsContact C-N 3.34Å; H785-V787 PolarHBondContact O-N 2.77Å; H785-S788 WeakPolarHBondContact O-CB 3.4Å; H785-S788 PolarHBondContact O-N 3.18Å; H785-S788 VanDerWaalsContact O-N 3.13Å; H785-T789 PolarHBondContact O-N 3.48Å; H785-T789 PolarHBondContact O-OG1 2.92Å |
| 786 | L | 93 | Very high | 90.7 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.3 | -27.3 | -179.9 | -66.3 | 174.2 | 0 | 0 | 0 | 113.4 | Q681 L782 G783 T789 K790 T791 I792 | Q681-L786 HydrophobicContact CB-CD1 4.06Å; L782-L786 HydrophobicContact CD1-CD1 3.88Å; L782-L786 HydrophobicContact CD1-CD2 4.49Å; L782-L786 HydrophobicContact CD1-CG 3.95Å; L782-L786 HydrophobicContact CD2-CD1 4.13Å; L782-L786 HydrophobicContact CG-CD1 3.68Å; L782-L786 HydrophobicContact CG-CG 4.17Å; L782-L786 WeakPolarHBondContact O-CG 3.48Å; L782-L786 PolarHBondContact O-N 3.23Å; G783-L786 PolarHBondContact O-N 3.44Å; L786-T789 WeakPolarHBondContact CA-OG1 3.32Å; L786-T789 PolarHBondContact O-OG1 2.83Å; L786-T789 VanDerWaalsContact O-OG1 3.1Å; L786-K790 PolarHBondContact O-N 3.19Å; L786-T791 WeakPolarHBondContact CB-OG1 3.44Å; L786-T791 PolarHBondContact O-N 3.32Å; L786-T791 PolarHBondContact O-OG1 2.76Å; L786-I792 HydrophobicContact CB-CB 4.34Å; L786-I792 HydrophobicContact CB-CD1 3.72Å; L786-I792 HydrophobicContact CB-CG1 4.08Å; L786-I792 HydrophobicContact CD1-CD1 3.52Å; L786-I792 HydrophobicContact CG-CD1 4.19Å; L786-I792 PolarHBondContact O-N 3.08Å |
| 787 | V | 92.6 | Very high | 90.8 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.8 | -42.4 | 167.2 | 167 | 0 | 0 | 0 | 0 | 111.1 | G783 H785 T789 K790 I792 V794 V797 | G783-V787 WeakPolarHBondContact O-CB 3.49Å; G783-V787 VanDerWaalsContact O-CG2 3.26Å; G783-V787 WeakPolarHBondContact O-CG2 3.3Å; G783-V787 PolarHBondContact O-N 3.44Å; H785-V787 VanDerWaalsContact C-N 3.34Å; H785-V787 PolarHBondContact O-N 2.77Å; V787-T789 VanDerWaalsContact C-N 3.35Å; V787-T789 PolarHBondContact O-N 3.31Å; V787-K790 WeakPolarHBondContact O-CA 3.17Å; V787-K790 PolarHBondContact O-N 3.21Å; V787-I792 WeakPolarHBondContact CG2-O 3.37Å; V787-V794 HydrophobicContact CG1-CG2 3.68Å; V787-V794 HydrophobicContact CG2-CG2 3.98Å; V787-V797 HydrophobicContact CG2-CG2 3.88Å |
| 788 | S | 92.8 | Very high | 90.6 | Very high | 95 Ų | 95 | 57.3 Ų | 57.3 | 66% | 0.664 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 177.7 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | A784 H785 K790 | A784-S788 WeakPolarHBondContact O-CB 3.47Å; A784-S788 PolarHBondContact O-N 3.44Å; H785-S788 WeakPolarHBondContact O-CB 3.4Å; H785-S788 PolarHBondContact O-N 3.18Å; H785-S788 VanDerWaalsContact O-N 3.13Å; S788-K790 PolarHBondContact O-N 3.13Å |
| 789 | T | 92.5 | Very high | 90.5 | Very high | 69 Ų | 69 | 58 Ų | 58 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 2 | 172.4 | 61.8 | 0 | 0 | 0 | 0 | 114 | H785 L786 V787 T791 | H785-T789 PolarHBondContact O-N 3.48Å; H785-T789 PolarHBondContact O-OG1 2.92Å; L786-T789 WeakPolarHBondContact CA-OG1 3.32Å; L786-T789 PolarHBondContact O-OG1 2.83Å; L786-T789 VanDerWaalsContact O-OG1 3.1Å; V787-T789 VanDerWaalsContact C-N 3.35Å; V787-T789 PolarHBondContact O-N 3.31Å; T789-T791 PolarHBondContact O-N 3.36Å; T789-T791 VanDerWaalsContact O-N 3.14Å; T789-T791 WeakPolarHBondContact OG1-CG2 3.45Å; T789-T791 PolarHBondContact OG1-OG1 3.07Å |
| 790 | K | 86.9 | Confident | 90.6 | Very high | 192 Ų | 192 | 58 Ų | 58 | 84% | 0.835 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 18.6 | -176.7 | -55.6 | -178.7 | -178 | 177.1 | 0 | 114.9 | L786 V787 S788 | L786-K790 PolarHBondContact O-N 3.19Å; V787-K790 WeakPolarHBondContact O-CA 3.17Å; V787-K790 PolarHBondContact O-N 3.21Å; S788-K790 PolarHBondContact O-N 3.13Å |
| 791 | T | 87.8 | Confident | 90.4 | Very high | 81 Ų | 81 | 55 Ų | 55 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -76.8 | -27 | 178.1 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | L786 T789 | L786-T791 WeakPolarHBondContact CB-OG1 3.44Å; L786-T791 PolarHBondContact O-N 3.32Å; L786-T791 PolarHBondContact O-OG1 2.76Å; T789-T791 PolarHBondContact O-N 3.36Å; T789-T791 VanDerWaalsContact O-N 3.14Å; T789-T791 WeakPolarHBondContact OG1-CG2 3.45Å; T789-T791 PolarHBondContact OG1-OG1 3.07Å |
| 792 | I | 88.7 | Confident | 90.2 | Very high | 18 Ų | 18 | 52.2 Ų | 52.2 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -136.8 | 146.4 | -176.3 | -57.4 | 178.9 | 0 | 0 | 0 | 109.2 | S679 L786 V787 A796 V797 | S679-I792 WeakPolarHBondContact OG-CD1 3.33Å; L786-I792 HydrophobicContact CB-CB 4.34Å; L786-I792 HydrophobicContact CB-CD1 3.72Å; L786-I792 HydrophobicContact CB-CG1 4.08Å; L786-I792 HydrophobicContact CD1-CD1 3.52Å; L786-I792 HydrophobicContact CG-CD1 4.19Å; L786-I792 PolarHBondContact O-N 3.08Å; V787-I792 WeakPolarHBondContact CG2-O 3.37Å; I792-A796 HydrophobicContact CG2-CB 3.65Å; I792-V797 HydrophobicContact CG2-CG2 3.99Å |
| 793 | T | 89 | Confident | 90 | Very high | 94 Ų | 94 | 49.9 Ų | 49.9 | 58% | 0.577 | 28% | 0.279 | S | S | * | . | trans | -82.1 | 147.8 | 171 | 63 | 0 | 0 | 0 | 0 | 111.6 | L795 A796 V797 | T793-L795 PolarHBondContact O-N 3.08Å; T793-L795 VanDerWaalsContact O-N 3.08Å; T793-A796 WeakPolarHBondContact O-CB 3.38Å; T793-A796 PolarHBondContact O-N 3.1Å; T793-A796 WeakPolarHBondContact OG1-CB 3.48Å; T793-A796 PolarHBondContact OG1-N 3.42Å; T793-V797 PolarHBondContact O-N 2.81Å | ||
| 794 | V | 87.4 | Confident | 89.8 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -49.5 | -39 | 175.1 | 175.3 | 0 | 0 | 0 | 0 | 112 | V787 V797 F798 | V787-V794 HydrophobicContact CG1-CG2 3.68Å; V787-V794 HydrophobicContact CG2-CG2 3.98Å; V794-V797 WeakPolarHBondContact O-CB 3.37Å; V794-V797 PolarHBondContact O-N 3.5Å; V794-F798 HydrophobicContact CG1-CD2 4.02Å; V794-F798 HydrophobicContact CG1-CE2 3.59Å; V794-F798 VanDerWaalsContact O-CD2 3.31Å; V794-F798 WeakPolarHBondContact O-CD2 3.37Å; V794-F798 PolarHBondContact O-N 3.35Å |
| 795 | L | 87.9 | Confident | 89.3 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 179.3 | -165.3 | 151.3 | 0 | 0 | 0 | 112.8 | S562 T793 V797 F798 R799 | S562-L795 VanDerWaalsContact CB-CD1 3.49Å; T793-L795 PolarHBondContact O-N 3.08Å; T793-L795 VanDerWaalsContact O-N 3.08Å; L795-V797 VanDerWaalsContact C-N 3.35Å; L795-F798 PolarHBondContact O-N 3.19Å; L795-R799 HydrophobicContact CD2-CG 4.05Å; L795-R799 WeakPolarHBondContact O-CG 3.25Å; L795-R799 PolarHBondContact O-N 2.66Å |
| 796 | A | 89.1 | Confident | 88.8 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.6 | -33.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I792 T793 R799 V800 | I792-A796 HydrophobicContact CG2-CB 3.65Å; T793-A796 WeakPolarHBondContact O-CB 3.38Å; T793-A796 PolarHBondContact O-N 3.1Å; T793-A796 WeakPolarHBondContact OG1-CB 3.48Å; T793-A796 PolarHBondContact OG1-N 3.42Å; A796-R799 PolarHBondContact O-N 3.15Å; A796-V800 WeakPolarHBondContact O-CG2 3.47Å; A796-V800 PolarHBondContact O-N 2.81Å |
| 797 | V | 91.1 | Very high | 88.5 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 171.9 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | L682 Y780 V787 I792 T793 V794 L795 R799 F801 | L682-V797 HydrophobicContact CD2-CB 4.17Å; L682-V797 HydrophobicContact CD2-CG1 3.89Å; L682-V797 HydrophobicContact CD2-CG2 4.3Å; Y780-V797 HydrophobicContact CD1-CG1 4.25Å; Y780-V797 HydrophobicContact CE1-CG1 4.44Å; V787-V797 HydrophobicContact CG2-CG2 3.88Å; I792-V797 HydrophobicContact CG2-CG2 3.99Å; T793-V797 PolarHBondContact O-N 2.81Å; V794-V797 WeakPolarHBondContact O-CB 3.37Å; V794-V797 PolarHBondContact O-N 3.5Å; L795-V797 VanDerWaalsContact C-N 3.35Å; V797-R799 PolarHBondContact O-N 3.31Å; V797-F801 WeakPolarHBondContact O-CB 3.3Å; V797-F801 PolarHBondContact O-N 2.75Å |
| 798 | F | 88.2 | Confident | 88 | Confident | 50 Ų | 50 | 42.2 Ų | 42.2 | 22% | 0.219 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.2 | -70.1 | -59.6 | 0 | 0 | 0 | 112.6 | T558 Y561 Y780 V794 L795 F801 V802 | T558-F798 HydrophobicContact CG2-CB 4.06Å; Y561-F798 HydrophobicContact CD2-CB 4.36Å; Y561-F798 HydrophobicContact CD2-CD2 4.16Å; Y561-F798 HydrophobicContact CD2-CG 4.36Å; Y561-F798 HydrophobicContact CE2-CB 4.25Å; Y561-F798 HydrophobicContact CE2-CD2 4.31Å; Y561-F798 HydrophobicContact CE2-CG 4.17Å; Y561-F798 HydrophobicContact CG-CD2 4.43Å; Y780-F798 AromaticContact CE1-CD1 3.89Å; Y780-F798 HydrophobicContact CE1-CD1 3.89Å; Y780-F798 AromaticContact CE1-CE1 3.61Å; Y780-F798 HydrophobicContact CE1-CE1 3.61Å; Y780-F798 AromaticContact CZ-CE1 3.95Å; V794-F798 HydrophobicContact CG1-CD2 4.02Å; V794-F798 HydrophobicContact CG1-CE2 3.59Å; V794-F798 VanDerWaalsContact O-CD2 3.31Å; V794-F798 WeakPolarHBondContact O-CD2 3.37Å; V794-F798 PolarHBondContact O-N 3.35Å; L795-F798 PolarHBondContact O-N 3.19Å; F798-F801 PolarHBondContact O-N 3.4Å; F798-V802 WeakPolarHBondContact O-CB 3.44Å; F798-V802 VanDerWaalsContact O-CG2 3.29Å; F798-V802 WeakPolarHBondContact O-CG2 3.44Å; F798-V802 PolarHBondContact O-N 3.29Å |
| 799 | R | 89.6 | Confident | 87.2 | Confident | 35 Ų | 35 | 40.5 Ų | 40.5 | 13% | 0.132 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.5 | -53.1 | 177.2 | -84.4 | 178.7 | 177.5 | 164 | 3.4 | 112.2 | T558 E559 Y678 L795 A796 V797 T803 | T558-R799 HydrophobicContact CG2-CG 3.94Å; T558-R799 WeakPolarHBondContact OG1-CG 3.39Å; T558-R799 PolarHBondContact OG1-NE 3.23Å; E559-R799 IonicContact OE2-CZ 3.18Å; E559-R799 IonicContact OE2-NH2 2.64Å; E559-R799 PolarHBondContact OE2-NH2 3.25Å; Y678-R799 HydrophobicContact CD2-CB 4.02Å; Y678-R799 HydrophobicContact CD2-CG 4.4Å; Y678-R799 HydrophobicContact CE2-CG 4.45Å; Y678-R799 HydrophobicContact CG-CB 4.45Å; Y678-R799 VanDerWaalsContact CZ-NH1 3.29Å; Y678-R799 PolarHBondContact OH-NH1 3.24Å; L795-R799 HydrophobicContact CD2-CG 4.05Å; L795-R799 WeakPolarHBondContact O-CG 3.25Å; L795-R799 PolarHBondContact O-N 2.66Å; A796-R799 PolarHBondContact O-N 3.15Å; V797-R799 PolarHBondContact O-N 3.31Å; R799-T803 WeakPolarHBondContact O-CB 3.48Å; R799-T803 PolarHBondContact O-N 3.27Å; R799-T803 VanDerWaalsContact O-N 3.09Å; R799-T803 PolarHBondContact O-OG1 3.33Å |
| 800 | V | 91.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.5 | -47.7 | -179 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | L682 I686 A796 I804 | L682-V800 HydrophobicContact CB-CG1 4.16Å; L682-V800 HydrophobicContact CD2-CB 3.97Å; L682-V800 HydrophobicContact CD2-CG1 3.93Å; L682-V800 HydrophobicContact CG-CB 4.41Å; L682-V800 HydrophobicContact CG-CG1 3.81Å; I686-V800 HydrophobicContact CD1-CG1 4.11Å; A796-V800 WeakPolarHBondContact O-CG2 3.47Å; A796-V800 PolarHBondContact O-N 2.81Å; V800-I804 HydrophobicContact CG1-CD1 3.86Å; V800-I804 WeakPolarHBondContact O-CG1 3.44Å; V800-I804 PolarHBondContact O-N 3.4Å; V800-I804 VanDerWaalsContact O-N 3.14Å |
| 801 | F | 88.1 | Confident | 86.3 | Confident | 25 Ų | 25 | 31.1 Ų | 31.1 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.6 | -54.7 | 179.9 | 174 | -101.2 | 0 | 0 | 0 | 112.7 | V776 A779 V797 F798 T803 I804 H805 | V776-F801 HydrophobicContact CB-CE2 4.38Å; V776-F801 HydrophobicContact CG2-CE2 3.75Å; V776-F801 HydrophobicContact CG2-CZ 3.65Å; A779-F801 HydrophobicContact CB-CD2 3.94Å; V797-F801 WeakPolarHBondContact O-CB 3.3Å; V797-F801 PolarHBondContact O-N 2.75Å; F798-F801 PolarHBondContact O-N 3.4Å; F801-T803 PolarHBondContact O-N 3.45Å; F801-I804 PolarHBondContact O-N 3.03Å; F801-H805 HydrophobicContact CE2-CB 4.48Å; F801-H805 HydrophobicContact CZ-CB 4.25Å; F801-H805 AromaticContact CZ-ND1 3.57Å; F801-H805 WeakPolarHBondContact O-CB 3.24Å; F801-H805 PolarHBondContact O-N 3.46Å |
| 802 | V | 87 | Confident | 85.6 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 12% | 0.121 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | -176.1 | 178 | 0 | 0 | 0 | 0 | 111.4 | A554 Y557 T558 F798 I804 H805 L806 | A554-V802 HydrophobicContact CB-CB 4.38Å; A554-V802 HydrophobicContact CB-CG1 3.8Å; Y557-V802 HydrophobicContact CD1-CG1 4.13Å; Y557-V802 HydrophobicContact CD1-CG2 4.26Å; Y557-V802 HydrophobicContact CE1-CG1 4.43Å; Y557-V802 HydrophobicContact CE1-CG2 3.96Å; T558-V802 HydrophobicContact CG2-CG2 4.46Å; F798-V802 WeakPolarHBondContact O-CB 3.44Å; F798-V802 VanDerWaalsContact O-CG2 3.29Å; F798-V802 WeakPolarHBondContact O-CG2 3.44Å; F798-V802 PolarHBondContact O-N 3.29Å; V802-I804 PolarHBondContact O-N 3.37Å; V802-H805 PolarHBondContact O-N 2.98Å; V802-L806 HydrophobicContact CG1-CD1 3.86Å; V802-L806 HydrophobicContact CG1-CG 4.32Å; V802-L806 WeakPolarHBondContact O-CG 3.19Å; V802-L806 PolarHBondContact O-N 3.22Å; V802-L806 VanDerWaalsContact O-N 3.08Å |
| 803 | T | 88.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | -177.7 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | P551 A554 S671 V674 R799 F801 S807 | P551-T803 HydrophobicContact CB-CG2 4.29Å; A554-T803 WeakPolarHBondContact CB-OG1 3.43Å; S671-T803 WeakPolarHBondContact CB-O 3.29Å; S671-T803 WeakPolarHBondContact O-CG2 3.35Å; S671-T803 WeakPolarHBondContact OG-CG2 3.28Å; S671-T803 PolarHBondContact OG-O 2.99Å; V674-T803 HydrophobicContact CB-CG2 4.07Å; V674-T803 HydrophobicContact CG1-CG2 3.89Å; R799-T803 WeakPolarHBondContact O-CB 3.48Å; R799-T803 PolarHBondContact O-N 3.27Å; R799-T803 VanDerWaalsContact O-N 3.09Å; R799-T803 PolarHBondContact O-OG1 3.33Å; F801-T803 PolarHBondContact O-N 3.45Å; T803-S807 PolarHBondContact O-OG 2.89Å |
| 804 | I | 88.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -76.9 | -42.3 | 176.2 | -58.8 | 172.9 | 0 | 0 | 0 | 110.5 | S675 T683 I686 Y690 V800 F801 V802 L806 S807 A808 | S675-I804 VanDerWaalsContact OG-CG1 3.29Å; S675-I804 WeakPolarHBondContact OG-CG1 3.4Å; T683-I804 HydrophobicContact CG2-CD1 4.06Å; I686-I804 HydrophobicContact CB-CD1 3.98Å; I686-I804 HydrophobicContact CD1-CD1 4.27Å; I686-I804 HydrophobicContact CG2-CB 4.08Å; I686-I804 HydrophobicContact CG2-CD1 4.08Å; I686-I804 HydrophobicContact CG2-CG2 3.58Å; Y690-I804 HydrophobicContact CD2-CG2 3.48Å; Y690-I804 VanDerWaalsContact CD2-CG2 3.48Å; Y690-I804 HydrophobicContact CE2-CG2 3.82Å; V800-I804 HydrophobicContact CG1-CD1 3.86Å; V800-I804 WeakPolarHBondContact O-CG1 3.44Å; V800-I804 PolarHBondContact O-N 3.4Å; V800-I804 VanDerWaalsContact O-N 3.14Å; F801-I804 PolarHBondContact O-N 3.03Å; V802-I804 PolarHBondContact O-N 3.37Å; I804-L806 PolarHBondContact O-N 3.13Å; I804-S807 PolarHBondContact O-N 3.39Å; I804-S807 PolarHBondContact O-OG 2.98Å; I804-A808 WeakPolarHBondContact O-CB 3.24Å; I804-A808 PolarHBondContact O-N 3.21Å |
| 805 | H | 82.7 | Confident | 82.9 | Confident | 42 Ų | 42 | 26.8 Ų | 26.8 | 19% | 0.194 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.9 | -47.6 | -178.9 | -176.5 | 98.5 | 0 | 0 | 0 | 112.9 | F801 V802 S807 A808 Q809 | F801-H805 HydrophobicContact CE2-CB 4.48Å; F801-H805 HydrophobicContact CZ-CB 4.25Å; F801-H805 AromaticContact CZ-ND1 3.57Å; F801-H805 WeakPolarHBondContact O-CB 3.24Å; F801-H805 PolarHBondContact O-N 3.46Å; V802-H805 PolarHBondContact O-N 2.98Å; H805-S807 PolarHBondContact O-N 2.85Å; H805-A808 PolarHBondContact O-N 2.87Å; H805-Q809 PolarHBondContact NE2-NE2 2.92Å; H805-Q809 PolarHBondContact O-N 3.26Å |
| 806 | L | 81.4 | Confident | 81.7 | Confident | 39 Ų | 39 | 26.6 Ų | 26.6 | 20% | 0.204 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 179.5 | -68.5 | 174.4 | 0 | 0 | 0 | 112.9 | F553 A554 V802 I804 S810 | F553-L806 HydrophobicContact CD1-CD1 4.37Å; A554-L806 HydrophobicContact CB-CD1 4.41Å; V802-L806 HydrophobicContact CG1-CD1 3.86Å; V802-L806 HydrophobicContact CG1-CG 4.32Å; V802-L806 WeakPolarHBondContact O-CG 3.19Å; V802-L806 PolarHBondContact O-N 3.22Å; V802-L806 VanDerWaalsContact O-N 3.08Å; I804-L806 PolarHBondContact O-N 3.13Å; L806-S810 WeakPolarHBondContact O-CB 3.1Å; L806-S810 PolarHBondContact O-N 3.32Å; L806-S810 PolarHBondContact O-OG 3.02Å |
| 807 | S | 86.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72.4 | -38.8 | 176.9 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | S671 Y690 T803 I804 H805 Q809 S810 L811 | S671-S807 WeakPolarHBondContact CB-OG 3.39Å; S671-S807 WeakPolarHBondContact OG-CB 3.33Å; Y690-S807 PolarHBondContact OH-OG 3.47Å; T803-S807 PolarHBondContact O-OG 2.89Å; I804-S807 PolarHBondContact O-N 3.39Å; I804-S807 PolarHBondContact O-OG 2.98Å; H805-S807 PolarHBondContact O-N 2.85Å; S807-Q809 PolarHBondContact O-N 3.41Å; S807-S810 PolarHBondContact O-N 3.37Å; S807-L811 VanDerWaalsContact O-CB 3.3Å; S807-L811 WeakPolarHBondContact O-CB 3.47Å; S807-L811 PolarHBondContact O-N 3.36Å |
| 808 | A | 83.9 | Confident | 79.3 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y690 I693 I804 H805 L811 G812 | Y690-A808 HydrophobicContact CD2-CB 3.73Å; Y690-A808 HydrophobicContact CE2-CB 3.56Å; I693-A808 HydrophobicContact CB-CB 4.26Å; I693-A808 HydrophobicContact CD1-CB 4.27Å; I693-A808 HydrophobicContact CG2-CB 3.78Å; I804-A808 WeakPolarHBondContact O-CB 3.24Å; I804-A808 PolarHBondContact O-N 3.21Å; H805-A808 PolarHBondContact O-N 2.87Å; A808-L811 PolarHBondContact O-N 3.18Å; A808-G812 PolarHBondContact O-N 2.95Å |
| 809 | Q | 76 | Confident | 78.1 | Confident | 58 Ų | 58 | 32 Ų | 32 | 27% | 0.271 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 176.1 | -69.7 | -169.2 | 9.2 | 0 | 0 | 112.6 | H805 S807 R813 | H805-Q809 PolarHBondContact NE2-NE2 2.92Å; H805-Q809 PolarHBondContact O-N 3.26Å; S807-Q809 PolarHBondContact O-N 3.41Å; Q809-R813 WeakPolarHBondContact O-CG 3.18Å; Q809-R813 PolarHBondContact O-N 2.84Å |
| 810 | S | 78.9 | Confident | 77.1 | Confident | 29 Ų | 29 | 31.4 Ų | 31.4 | 20% | 0.203 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.4 | -63.9 | 0 | 0 | 0 | 0 | 112 | Q550 L806 S807 R813 T814 | Q550-S810 PolarHBondContact NE2-OG 2.9Å; Q550-S810 PolarHBondContact OE1-OG 3.04Å; L806-S810 WeakPolarHBondContact O-CB 3.1Å; L806-S810 PolarHBondContact O-N 3.32Å; L806-S810 PolarHBondContact O-OG 3.02Å; S807-S810 PolarHBondContact O-N 3.37Å; S810-R813 PolarHBondContact O-N 2.94Å; S810-T814 WeakPolarHBondContact O-CG2 3.34Å; S810-T814 PolarHBondContact O-N 3.4Å; S810-T814 VanDerWaalsContact O-N 3.12Å; S810-T814 PolarHBondContact O-OG1 2.9Å |
| 811 | L | 80.4 | Confident | 76.1 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 19% | 0.188 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.7 | -40.9 | 178.8 | -172 | 60.1 | 0 | 0 | 0 | 112 | A664 M668 Y690 V694 S807 A808 R813 T814 A815 | A664-L811 HydrophobicContact CB-CD1 4.25Å; M668-L811 HydrophobicContact CG-CD2 4.46Å; M668-L811 HydrophobicContact SD-CD2 3.77Å; Y690-L811 HydrophobicContact CE1-CD2 3.8Å; V694-L811 HydrophobicContact CG1-CD2 4.4Å; V694-L811 HydrophobicContact CG1-CG 4.15Å; V694-L811 HydrophobicContact CG2-CB 4.16Å; V694-L811 HydrophobicContact CG2-CD2 3.84Å; V694-L811 HydrophobicContact CG2-CG 4.04Å; S807-L811 VanDerWaalsContact O-CB 3.3Å; S807-L811 WeakPolarHBondContact O-CB 3.47Å; S807-L811 PolarHBondContact O-N 3.36Å; A808-L811 PolarHBondContact O-N 3.18Å; L811-R813 VanDerWaalsContact C-N 3.3Å; L811-R813 PolarHBondContact O-N 2.89Å; L811-T814 WeakPolarHBondContact CA-OG1 3.47Å; L811-T814 PolarHBondContact O-N 3.16Å; L811-T814 PolarHBondContact O-OG1 3.37Å; L811-T814 VanDerWaalsContact O-OG1 3.14Å; L811-A815 WeakPolarHBondContact O-CB 3.38Å; L811-A815 PolarHBondContact O-N 3.41Å |
| 812 | G | 73.6 | Confident | 75.4 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -36.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G697 F698 A808 | G697-G812 CarbonylContact C-O 3.53Å; G697-G812 VanDerWaalsContact C-O 3.31Å; F698-G812 PolarHBondContact N-O 3.04Å; A808-G812 PolarHBondContact O-N 2.95Å |
| 813 | R | 66.3 | Low | 74.7 | Confident | 129 Ų | 129 | 41.2 Ų | 41.2 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.6 | -48.8 | 175 | -67.2 | 176.3 | -171.6 | -174.1 | 6.1 | 111.9 | Q809 S810 L811 A815 T816 | Q809-R813 WeakPolarHBondContact O-CG 3.18Å; Q809-R813 PolarHBondContact O-N 2.84Å; S810-R813 PolarHBondContact O-N 2.94Å; L811-R813 VanDerWaalsContact C-N 3.3Å; L811-R813 PolarHBondContact O-N 2.89Å; R813-A815 VanDerWaalsContact C-N 3.27Å; R813-A815 PolarHBondContact O-N 3.28Å; R813-T816 PolarHBondContact O-N 3.22Å; R813-T816 PolarHBondContact O-OG1 3.49Å |
| 814 | T | 73 | Confident | 74.4 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -21.9 | -178.8 | 53 | 0 | 0 | 0 | 0 | 113.9 | A664 S810 L811 T816 L817 | A664-T814 HydrophobicContact CB-CG2 4.3Å; S810-T814 WeakPolarHBondContact O-CG2 3.34Å; S810-T814 PolarHBondContact O-N 3.4Å; S810-T814 VanDerWaalsContact O-N 3.12Å; S810-T814 PolarHBondContact O-OG1 2.9Å; L811-T814 WeakPolarHBondContact CA-OG1 3.47Å; L811-T814 PolarHBondContact O-N 3.16Å; L811-T814 PolarHBondContact O-OG1 3.37Å; L811-T814 VanDerWaalsContact O-OG1 3.14Å; T814-T816 PolarHBondContact O-N 3.47Å; T814-L817 WeakPolarHBondContact O-CB 3.3Å; T814-L817 WeakPolarHBondContact O-CG 3.32Å; T814-L817 PolarHBondContact O-N 2.82Å |
| 815 | A | 67.9 | Low | 74.1 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -23.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | F698 L811 R813 L817 V818 | F698-A815 HydrophobicContact CB-CB 4.12Å; F698-A815 HydrophobicContact CD2-CB 4.11Å; L811-A815 WeakPolarHBondContact O-CB 3.38Å; L811-A815 PolarHBondContact O-N 3.41Å; R813-A815 VanDerWaalsContact C-N 3.27Å; R813-A815 PolarHBondContact O-N 3.28Å; A815-L817 VanDerWaalsContact C-N 3.34Å; A815-V818 VanDerWaalsContact O-CB 3.25Å; A815-V818 WeakPolarHBondContact O-CB 3.45Å; A815-V818 VanDerWaalsContact O-CG2 3.3Å; A815-V818 WeakPolarHBondContact O-CG2 3.44Å; A815-V818 PolarHBondContact O-N 3.46Å |
| 816 | T | 64.1 | Low | 74 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -16 | 176.7 | 54.4 | 0 | 0 | 0 | 0 | 115.3 | F698 M701 R813 T814 V818 L819 | F698-T816 HydrophobicContact CD2-CG2 4.44Å; M701-T816 HydrophobicContact CB-CG2 3.41Å; M701-T816 VanDerWaalsContact CB-CG2 3.41Å; M701-T816 HydrophobicContact CG-CG2 3.44Å; M701-T816 VanDerWaalsContact CG-CG2 3.44Å; M701-T816 WeakPolarHBondContact CG-OG1 3.37Å; R813-T816 PolarHBondContact O-N 3.22Å; R813-T816 PolarHBondContact O-OG1 3.49Å; T814-T816 PolarHBondContact O-N 3.47Å; T816-V818 PolarHBondContact O-N 3.32Å; T816-L819 HydrophobicContact CG2-CD1 4.23Å; T816-L819 VanDerWaalsContact O-CB 3.31Å; T816-L819 WeakPolarHBondContact O-CB 3.38Å; T816-L819 PolarHBondContact O-N 2.95Å |
| 817 | L | 66.6 | Low | 74.2 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -27.3 | 169.3 | -56.8 | -177.6 | 0 | 0 | 0 | 111 | Q657 F660 I661 T814 A815 L819 G820 T821 | Q657-L817 VanDerWaalsContact OE1-CD2 3.26Å; F660-L817 HydrophobicContact CB-CD1 3.8Å; F660-L817 HydrophobicContact CD2-CD1 4.46Å; I661-L817 HydrophobicContact CG1-CD1 4.42Å; T814-L817 WeakPolarHBondContact O-CB 3.3Å; T814-L817 WeakPolarHBondContact O-CG 3.32Å; T814-L817 PolarHBondContact O-N 2.82Å; A815-L817 VanDerWaalsContact C-N 3.34Å; L817-L819 VanDerWaalsContact C-N 3.27Å; L817-L819 PolarHBondContact O-N 3.29Å; L817-G820 WeakPolarHBondContact O-CA 3.43Å; L817-G820 PolarHBondContact O-N 2.86Å; L817-T821 PolarHBondContact O-N 3.07Å |
| 818 | V | 63.8 | Low | 74.3 | Confident | 82 Ų | 82 | 41.6 Ų | 41.6 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -31.8 | 172.6 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | A815 T816 G820 T821 | A815-V818 VanDerWaalsContact O-CB 3.25Å; A815-V818 WeakPolarHBondContact O-CB 3.45Å; A815-V818 VanDerWaalsContact O-CG2 3.3Å; A815-V818 WeakPolarHBondContact O-CG2 3.44Å; A815-V818 PolarHBondContact O-N 3.46Å; T816-V818 PolarHBondContact O-N 3.32Å; V818-G820 VanDerWaalsContact C-N 3.31Å; V818-G820 PolarHBondContact O-N 3.25Å; V818-T821 PolarHBondContact O-N 3.3Å; V818-T821 PolarHBondContact O-OG1 2.87Å |
| 819 | L | 62.9 | Low | 74.4 | Confident | 58 Ų | 58 | 46.2 Ų | 46.2 | 30% | 0.304 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 173.6 | -61.7 | 174.3 | 0 | 0 | 0 | 110.8 | F698 R702 T816 L817 T821 K822 | F698-L819 HydrophobicContact CE2-CD1 4.43Å; F698-L819 HydrophobicContact CE2-CD2 3.9Å; F698-L819 HydrophobicContact CE2-CG 4.02Å; F698-L819 HydrophobicContact CZ-CD2 3.87Å; F698-L819 HydrophobicContact CZ-CG 4.46Å; R702-L819 HydrophobicContact CB-CD1 4.47Å; T816-L819 HydrophobicContact CG2-CD1 4.23Å; T816-L819 VanDerWaalsContact O-CB 3.31Å; T816-L819 WeakPolarHBondContact O-CB 3.38Å; T816-L819 PolarHBondContact O-N 2.95Å; L817-L819 VanDerWaalsContact C-N 3.27Å; L817-L819 PolarHBondContact O-N 3.29Å; L819-T821 VanDerWaalsContact C-N 3.26Å; L819-T821 PolarHBondContact O-N 2.93Å; L819-K822 PolarHBondContact O-N 2.94Å |
| 820 | G | 67.2 | Low | 74.9 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 25% | 0.247 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.7 | -36.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | L817 V818 K822 A823 A824 | L817-G820 WeakPolarHBondContact O-CA 3.43Å; L817-G820 PolarHBondContact O-N 2.86Å; V818-G820 VanDerWaalsContact C-N 3.31Å; V818-G820 PolarHBondContact O-N 3.25Å; G820-K822 VanDerWaalsContact C-N 3.27Å; G820-K822 PolarHBondContact O-N 3.38Å; G820-A823 PolarHBondContact O-N 3.44Å; G820-A824 WeakPolarHBondContact O-CB 3.38Å; G820-A824 PolarHBondContact O-N 3.01Å |
| 821 | T | 70.5 | Confident | 75.3 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 29% | 0.288 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.2 | -29.6 | 179.4 | 74.3 | 0 | 0 | 0 | 0 | 113.7 | I653 L817 V818 L819 G825 | I653-T821 HydrophobicContact CG1-CG2 4.18Å; L817-T821 PolarHBondContact O-N 3.07Å; V818-T821 PolarHBondContact O-N 3.3Å; V818-T821 PolarHBondContact O-OG1 2.87Å; L819-T821 VanDerWaalsContact C-N 3.26Å; L819-T821 PolarHBondContact O-N 2.93Å; T821-G825 PolarHBondContact O-N 3.35Å |
| 822 | K | 72.8 | Confident | 75.7 | Confident | 161 Ų | 161 | 43.7 Ų | 43.7 | 70% | 0.7 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -70 | -43.9 | 176 | -68.6 | -170.6 | 177.9 | -176.4 | 0 | 111.7 | L819 G820 G825 S826 | L819-K822 PolarHBondContact O-N 2.94Å; G820-K822 VanDerWaalsContact C-N 3.27Å; G820-K822 PolarHBondContact O-N 3.38Å; K822-G825 PolarHBondContact O-N 3.34Å; K822-S826 PolarHBondContact O-N 2.86Å; K822-S826 VanDerWaalsContact O-N 3.12Å; K822-S826 PolarHBondContact O-OG 2.87Å |
| 823 | A | 74 | Confident | 76.5 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 35% | 0.347 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.7 | -35.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G820 G825 S826 A827 | G820-A823 PolarHBondContact O-N 3.44Å; A823-G825 VanDerWaalsContact C-N 3.34Å; A823-S826 PolarHBondContact O-OG 3.08Å; A823-S826 VanDerWaalsContact O-OG 3.05Å; A823-A827 VanDerWaalsContact O-CB 3.24Å; A823-A827 WeakPolarHBondContact O-CB 3.36Å; A823-A827 PolarHBondContact O-N 3.31Å |
| 824 | A | 81.7 | Confident | 77.6 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.9 | -36.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | R649 M652 I653 G820 A828 | R649-A824 WeakPolarHBondContact O-CB 3.29Å; M652-A824 HydrophobicContact CB-CB 4.37Å; I653-A824 HydrophobicContact CD1-CB 3.47Å; I653-A824 VanDerWaalsContact CD1-CB 3.47Å; I653-A824 HydrophobicContact CG1-CB 3.64Å; G820-A824 WeakPolarHBondContact O-CB 3.38Å; G820-A824 PolarHBondContact O-N 3.01Å; A824-A828 WeakPolarHBondContact O-CB 3.33Å; A824-A828 PolarHBondContact O-N 3.13Å |
| 825 | G | 82.6 | Confident | 78.4 | Confident | 21 Ų | 21 | 43.9 Ų | 43.9 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T821 K822 A823 K829 | T821-G825 PolarHBondContact O-N 3.35Å; K822-G825 PolarHBondContact O-N 3.34Å; A823-G825 VanDerWaalsContact C-N 3.34Å; G825-K829 PolarHBondContact O-N 3.29Å |
| 826 | S | 80.5 | Confident | 79.4 | Confident | 68 Ų | 68 | 46.5 Ų | 46.5 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.2 | -46.8 | 172.3 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | K822 A823 A828 K829 C830 | K822-S826 PolarHBondContact O-N 2.86Å; K822-S826 VanDerWaalsContact O-N 3.12Å; K822-S826 PolarHBondContact O-OG 2.87Å; A823-S826 PolarHBondContact O-OG 3.08Å; A823-S826 VanDerWaalsContact O-OG 3.05Å; S826-A828 VanDerWaalsContact C-N 3.27Å; S826-A828 PolarHBondContact O-N 3.34Å; S826-K829 WeakPolarHBondContact O-CB 3.38Å; S826-K829 PolarHBondContact O-N 3.41Å; S826-C830 PolarHBondContact O-N 3.48Å; S826-C830 PolarHBondContact O-SG 3.4Å; S826-C830 VanDerWaalsContact O-SG 3.39Å |
| 827 | A | 85.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D646 R649 V650 A823 K829 C830 I831 | D646-A827 HydrophobicContact CB-CB 3.73Å; R649-A827 HydrophobicContact CB-CB 3.75Å; V650-A827 HydrophobicContact CG2-CB 3.81Å; A823-A827 VanDerWaalsContact O-CB 3.24Å; A823-A827 WeakPolarHBondContact O-CB 3.36Å; A823-A827 PolarHBondContact O-N 3.31Å; A827-K829 VanDerWaalsContact C-N 3.34Å; A827-K829 PolarHBondContact O-N 3Å; A827-C830 PolarHBondContact O-N 3.35Å; A827-I831 WeakPolarHBondContact O-CB 3.46Å; A827-I831 PolarHBondContact O-N 3.49Å |
| 828 | A | 88 | Confident | 81.7 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P521 I525 V650 A824 S826 L832 | P521-A828 HydrophobicContact CB-CB 4.09Å; I525-A828 HydrophobicContact CD1-CB 3.55Å; I525-A828 HydrophobicContact CG1-CB 4.37Å; V650-A828 HydrophobicContact CG2-CB 4.03Å; A824-A828 WeakPolarHBondContact O-CB 3.33Å; A824-A828 PolarHBondContact O-N 3.13Å; S826-A828 VanDerWaalsContact C-N 3.27Å; S826-A828 PolarHBondContact O-N 3.34Å; A828-L832 WeakPolarHBondContact O-CB 3.26Å; A828-L832 VanDerWaalsContact O-CG 3.3Å; A828-L832 WeakPolarHBondContact O-CG 3.43Å; A828-L832 PolarHBondContact O-N 3.44Å |
| 829 | K | 86.5 | Confident | 82.9 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.4 | -49.2 | 174.7 | -177.1 | 178.9 | 172.7 | -69.9 | 0 | 110.8 | P521 G825 S826 A827 I831 L832 E833 | P521-K829 HydrophobicContact CG-CB 4.49Å; G825-K829 PolarHBondContact O-N 3.29Å; S826-K829 WeakPolarHBondContact O-CB 3.38Å; S826-K829 PolarHBondContact O-N 3.41Å; A827-K829 VanDerWaalsContact C-N 3.34Å; A827-K829 PolarHBondContact O-N 3Å; K829-I831 VanDerWaalsContact C-N 3.33Å; K829-I831 PolarHBondContact O-N 3.15Å; K829-L832 PolarHBondContact O-N 2.88Å; K829-E833 WeakPolarHBondContact CE-OE1 3.47Å; K829-E833 HydrophobicContact CG-CG 4.44Å; K829-E833 IonicContact NZ-OE1 3.52Å; K829-E833 PolarHBondContact NZ-OE1 2.97Å; K829-E833 IonicContact NZ-OE2 3.58Å; K829-E833 PolarHBondContact NZ-OE2 3.43Å; K829-E833 WeakPolarHBondContact O-CB 3.48Å; K829-E833 WeakPolarHBondContact O-CG 3.28Å; K829-E833 PolarHBondContact O-N 2.85Å |
| 830 | C | 85.6 | Confident | 83.9 | Confident | 48 Ų | 48 | 56 Ų | 56 | 32% | 0.324 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 177.9 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | S826 A827 E833 I834 | S826-C830 PolarHBondContact O-N 3.48Å; S826-C830 PolarHBondContact O-SG 3.4Å; S826-C830 VanDerWaalsContact O-SG 3.39Å; A827-C830 PolarHBondContact O-N 3.35Å; C830-E833 PolarHBondContact O-N 3.4Å; C830-I834 PolarHBondContact O-N 3.38Å |
| 831 | I | 88.4 | Confident | 84.8 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 177.3 | -80.5 | 163.3 | 0 | 0 | 0 | 111.6 | I525 I613 V617 D646 V650 A827 K829 I834 L835 | I525-I831 HydrophobicContact CD1-CB 4.41Å; I525-I831 HydrophobicContact CD1-CG2 3.97Å; I613-I831 HydrophobicContact CG2-CD1 4.1Å; I613-I831 HydrophobicContact CG2-CG2 4.24Å; V617-I831 HydrophobicContact CG2-CG1 4.28Å; V617-I831 HydrophobicContact CG2-CG2 3.81Å; D646-I831 HydrophobicContact CB-CD1 4.04Å; D646-I831 HydrophobicContact CB-CG1 4.49Å; V650-I831 HydrophobicContact CG2-CD1 3.76Å; A827-I831 WeakPolarHBondContact O-CB 3.46Å; A827-I831 PolarHBondContact O-N 3.49Å; K829-I831 VanDerWaalsContact C-N 3.33Å; K829-I831 PolarHBondContact O-N 3.15Å; I831-I834 PolarHBondContact O-N 3.03Å; I831-L835 HydrophobicContact CG2-CD1 3.7Å; I831-L835 HydrophobicContact CG2-CG 4.4Å; I831-L835 VanDerWaalsContact O-CG 3.29Å; I831-L835 WeakPolarHBondContact O-CG 3.44Å; I831-L835 PolarHBondContact O-N 3.38Å |
| 832 | L | 89.2 | Confident | 85.5 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.4 | -33 | 176.3 | -73.7 | 170.6 | 0 | 0 | 0 | 112.6 | P521 R524 I525 A828 K829 I834 L835 D836 | P521-L832 HydrophobicContact CB-CD1 3.92Å; P521-L832 WeakPolarHBondContact O-CD1 3.35Å; R524-L832 HydrophobicContact CB-CD1 4.14Å; R524-L832 HydrophobicContact CG-CD1 4.29Å; R524-L832 HydrophobicContact CG-CD2 4.17Å; I525-L832 HydrophobicContact CD1-CG 4.32Å; I525-L832 HydrophobicContact CG1-CD1 4.17Å; I525-L832 HydrophobicContact CG1-CD2 4.3Å; I525-L832 HydrophobicContact CG1-CG 4.12Å; A828-L832 WeakPolarHBondContact O-CB 3.26Å; A828-L832 VanDerWaalsContact O-CG 3.3Å; A828-L832 WeakPolarHBondContact O-CG 3.43Å; A828-L832 PolarHBondContact O-N 3.44Å; K829-L832 PolarHBondContact O-N 2.88Å; L832-I834 VanDerWaalsContact C-N 3.25Å; L832-I834 PolarHBondContact O-N 2.97Å; L832-L835 PolarHBondContact O-N 3.45Å; L832-D836 WeakPolarHBondContact O-CB 3.37Å; L832-D836 VanDerWaalsContact O-CG 3.25Å; L832-D836 PolarHBondContact O-N 2.89Å |
| 833 | E | 88.9 | Confident | 85.7 | Confident | 106 Ų | 106 | 48.1 Ų | 48.1 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.1 | -28.4 | 175.4 | -76.1 | 174.5 | 149.6 | 0 | 0 | 113 | K829 C830 | K829-E833 WeakPolarHBondContact CE-OE1 3.47Å; K829-E833 HydrophobicContact CG-CG 4.44Å; K829-E833 IonicContact NZ-OE1 3.52Å; K829-E833 PolarHBondContact NZ-OE1 2.97Å; K829-E833 IonicContact NZ-OE2 3.58Å; K829-E833 PolarHBondContact NZ-OE2 3.43Å; K829-E833 WeakPolarHBondContact O-CB 3.48Å; K829-E833 WeakPolarHBondContact O-CG 3.28Å; K829-E833 PolarHBondContact O-N 2.85Å; C830-E833 PolarHBondContact O-N 3.4Å |
| 834 | I | 89.9 | Confident | 85.9 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -78.8 | -47.6 | 170.8 | -62 | 171.4 | 0 | 0 | 0 | 110.4 | V617 S620 M621 W628 C830 I831 L832 D836 R837 | V617-I834 HydrophobicContact CG1-CG2 4.44Å; S620-I834 PolarHBondContact OG-O 2.65Å; M621-I834 HydrophobicContact CE-CD1 3.9Å; M621-I834 HydrophobicContact CG-CG2 4.15Å; W628-I834 HydrophobicContact CZ2-CG1 4.33Å; C830-I834 PolarHBondContact O-N 3.38Å; I831-I834 PolarHBondContact O-N 3.03Å; L832-I834 VanDerWaalsContact C-N 3.25Å; L832-I834 PolarHBondContact O-N 2.97Å; I834-D836 VanDerWaalsContact C-N 3.33Å; I834-D836 PolarHBondContact O-N 2.97Å; I834-R837 PolarHBondContact O-N 3.31Å |
| 835 | L | 90.2 | Very high | 85.9 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.2 | -27.6 | -178.4 | -68 | 172.5 | 0 | 0 | 0 | 114.4 | K616 V617 I831 L832 | K616-L835 HydrophobicContact CB-CD2 3.94Å; K616-L835 WeakPolarHBondContact O-CD2 3.42Å; V617-L835 HydrophobicContact CG2-CD1 4.28Å; V617-L835 HydrophobicContact CG2-CD2 4.07Å; V617-L835 HydrophobicContact CG2-CG 4.12Å; I831-L835 HydrophobicContact CG2-CD1 3.7Å; I831-L835 HydrophobicContact CG2-CG 4.4Å; I831-L835 VanDerWaalsContact O-CG 3.29Å; I831-L835 WeakPolarHBondContact O-CG 3.44Å; I831-L835 PolarHBondContact O-N 3.38Å; L832-L835 PolarHBondContact O-N 3.45Å |
| 836 | D | 89.7 | Confident | 85.7 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -13 | 177.4 | -71.4 | -25.1 | 0 | 0 | 0 | 112.9 | R524 L832 I834 K838 | R524-D836 IonicContact CZ-OD1 3.18Å; R524-D836 IonicContact CZ-OD2 2.74Å; R524-D836 IonicContact NH1-OD1 2.67Å; R524-D836 PolarHBondContact NH1-OD1 2.76Å; R524-D836 IonicContact NH1-OD2 2.86Å; R524-D836 PolarHBondContact NH1-OD2 3.43Å; R524-D836 IonicContact NH2-OD1 2.6Å; R524-D836 PolarHBondContact NH2-OD1 2.92Å; R524-D836 IonicContact NH2-OD2 3.21Å; L832-D836 WeakPolarHBondContact O-CB 3.37Å; L832-D836 VanDerWaalsContact O-CG 3.25Å; L832-D836 PolarHBondContact O-N 2.89Å; I834-D836 VanDerWaalsContact C-N 3.33Å; I834-D836 PolarHBondContact O-N 2.97Å; D836-K838 PolarHBondContact O-N 3.19Å |
| 837 | R | 89.9 | Confident | 85.9 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 23% | 0.234 | 31% | 0.306 | C | S | . | . | trans | -72.5 | 101.4 | 177.6 | -172.5 | 177.2 | -167.7 | -88 | 0.1 | 109.9 | Q624 E625 W628 I834 | Q624-R837 PolarHBondContact NE2-O 3.49Å; Q624-R837 VanDerWaalsContact NE2-O 3.11Å; Q624-R837 VanDerWaalsContact OE1-CD 3.27Å; E625-R837 VanDerWaalsContact CD-NH1 3.28Å; E625-R837 IonicContact OE1-CZ 3.12Å; E625-R837 VanDerWaalsContact OE1-CZ 3.29Å; E625-R837 IonicContact OE1-NH1 3.87Å; E625-R837 PolarHBondContact OE1-NH1 3.26Å; E625-R837 IonicContact OE1-NH2 2.97Å; E625-R837 PolarHBondContact OE1-NH2 2.92Å; E625-R837 IonicContact OE2-CZ 3.15Å; E625-R837 IonicContact OE2-NH1 3.87Å; E625-R837 PolarHBondContact OE2-NH1 3.49Å; E625-R837 IonicContact OE2-NH2 3.58Å; W628-R837 VanDerWaalsContact CD1-NE 3.31Å; I834-R837 PolarHBondContact O-N 3.31Å | ||
| 838 | K | 88.1 | Confident | 85.9 | Confident | 183 Ų | 183 | 62.6 Ų | 62.6 | 80% | 0.796 | 33% | 0.33 | S | S | * | . | trans | -62.9 | 130.5 | 159.8 | -62.9 | -173.2 | 179.5 | -175.2 | 0 | 108.8 | D836 | D836-K838 PolarHBondContact O-N 3.19Š| ||
| 839 | P | 88.9 | Confident | 85.6 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | trans | -68.7 | 152.7 | 175.6 | 31.1 | -37.1 | 0 | 0 | 0 | 111 | N623 E625 I841 | N623-P839 WeakPolarHBondContact O-CB 3.36Å; N623-P839 WeakPolarHBondContact O-CG 3.09Å; E625-P839 WeakPolarHBondContact OE2-CA 3.35Å; E625-P839 WeakPolarHBondContact OE2-CB 3.36Å; P839-I841 VanDerWaalsContact C-N 3.34Å | ||
| 840 | L | 84.7 | Confident | 85.2 | Confident | 128 Ų | 128 | 68.2 Ų | 68.2 | 67% | 0.67 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -71.3 | -33.2 | 174.5 | -63.4 | 176.5 | 0 | 0 | 0 | 111.4 | E625 | E625-L840 HydrophobicContact CG-CB 4.22Å; E625-L840 PolarHBondContact OE2-N 3.41Å |
| 841 | I | 85.4 | Confident | 84.9 | Confident | 11 Ų | 11 | 72.2 Ų | 72.2 | 6% | 0.056 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -120.8 | 101.2 | 177.1 | -59.1 | 170.8 | 0 | 0 | 0 | 107.5 | E625 P839 R907 D910 P932 | E625-I841 HydrophobicContact CB-CB 4.05Å; E625-I841 HydrophobicContact CB-CD1 4.44Å; E625-I841 HydrophobicContact CB-CG1 4.41Å; P839-I841 VanDerWaalsContact C-N 3.34Å; I841-R907 HydrophobicContact CG2-CG 4.42Å; I841-D910 HydrophobicContact CD1-CB 4.48Å; I841-P932 HydrophobicContact CG2-CB 4.46Å; I841-P932 HydrophobicContact CG2-CG 3.69Å |
| 842 | S | 84.7 | Confident | 84.6 | Confident | 38 Ų | 38 | 80.8 Ų | 80.8 | 27% | 0.266 | 41% | 0.41 | S | S | . | . | trans | -82.1 | 123.6 | -179 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | N844 I845 P932 | S842-N844 VanDerWaalsContact C-N 3.26Å; S842-N844 PolarHBondContact O-N 3.19Å; S842-I845 PolarHBondContact O-N 3Å; S842-P932 WeakPolarHBondContact O-CD 3.37Å | ||
| 843 | T | 77.8 | Confident | 84.6 | Confident | 16 Ų | 16 | 80.5 Ų | 80.5 | 10% | 0.098 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -35.6 | -169.5 | 51 | 0 | 0 | 0 | 0 | 115.8 | N623 P932 S933 | N623-T843 PolarHBondContact OD1-OG1 3.46Å; T843-P932 WeakPolarHBondContact O-CD 3.26Å; T843-S933 WeakPolarHBondContact O-CB 3.18Å; T843-S933 PolarHBondContact O-N 3.39Å; T843-S933 PolarHBondContact O-OG 3.22Å |
| 844 | N | 78.2 | Confident | 84.5 | Confident | 96 Ų | 96 | 81.2 Ų | 81.2 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 17.9 | -173.3 | -63.9 | -77.7 | 0 | 0 | 0 | 113.9 | S842 S933 | S842-N844 VanDerWaalsContact C-N 3.26Å; S842-N844 PolarHBondContact O-N 3.19Å; N844-S933 WeakPolarHBondContact OD1-CB 3.31Å; N844-S933 PolarHBondContact OD1-OG 3.41Å |
| 845 | I | 80.6 | Confident | 84.5 | Confident | 122 Ų | 122 | 80.5 Ų | 80.5 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | trans | -100.8 | 119.8 | 175.5 | -57.7 | -175.4 | 0 | 0 | 0 | 109.2 | S842 | S842-I845 PolarHBondContact O-N 3Š| ||
| 846 | G | 79.1 | Confident | 84.6 | Confident | 38 Ų | 38 | 81.3 Ų | 81.3 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 149.2 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | N929 | G846-N929 CarbonylContact C-O 3.6Å; G846-N929 VanDerWaalsContact CA-O 3.31Å; G846-N929 WeakPolarHBondContact CA-O 3.3Å |
| 847 | I | 84.3 | Confident | 84.8 | Confident | 98 Ų | 98 | 77.8 Ų | 77.8 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -64.5 | 141.3 | 170.9 | -59 | 170.2 | 0 | 0 | 0 | 108.8 | P849 N929 I930 A931 | I847-P849 HydrophobicContact CG2-CG 4.49Å; I847-N929 HydrophobicContact CD1-CB 4.37Å; I847-N929 PolarHBondContact N-O 2.98Å; I847-I930 CarbonylContact O-C 3.56Å; I847-I930 WeakPolarHBondContact O-CA 3.39Å; I847-I930 WeakPolarHBondContact O-CG2 3.31Å; I847-A931 PolarHBondContact O-N 3.23Å |
| 848 | V | 85.4 | Confident | 84.9 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | trans | -113.7 | 97.6 | 170 | -178.8 | 0 | 0 | 0 | 0 | 106.8 | H850 A931 W934 | V848-H850 PolarHBondContact O-N 2.91Å; V848-A931 HydrophobicContact CG2-CB 3.98Å; V848-W934 HydrophobicContact CG1-CB 4.4Å; V848-W934 HydrophobicContact CG1-CG 4.19Å | ||
| 849 | P | 82.5 | Confident | 85.2 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 14% | 0.143 | 34% | 0.342 | C | S | . | . | trans | -58.2 | 134.3 | -178.1 | -25.5 | 33.8 | 0 | 0 | 0 | 112.3 | I847 I925 I930 W934 | I847-P849 HydrophobicContact CG2-CG 4.49Å; P849-I925 HydrophobicContact CG-CD1 4.32Å; P849-I930 HydrophobicContact CG-CG2 4.38Å; P849-W934 HydrophobicContact CB-CH2 4.06Å; P849-W934 HydrophobicContact CB-CZ2 3.71Å; P849-W934 HydrophobicContact CG-CD2 4.4Å; P849-W934 HydrophobicContact CG-CE3 4.39Å; P849-W934 HydrophobicContact CG-CH2 3.86Å; P849-W934 HydrophobicContact CG-CZ2 3.88Å; P849-W934 HydrophobicContact CG-CZ3 4.14Å; P849-W934 PolarHBondContact O-NE1 3.27Å | ||
| 850 | H | 78 | Confident | 85.2 | Confident | 197 Ų | 197 | 68.6 Ų | 68.6 | 91% | 0.912 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -80.4 | -26.7 | 174.2 | -64.6 | -64.9 | 0 | 0 | 0 | 112.5 | V848 | V848-H850 PolarHBondContact O-N 2.91Š|
| 851 | E | 78.9 | Confident | 85.5 | Confident | 132 Ų | 132 | 65.2 Ų | 65.2 | 62% | 0.617 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -68.8 | 144.7 | 170.6 | -72.9 | -168.7 | -141.4 | 0 | 0 | 111.1 | K854 | E851-K854 WeakPolarHBondContact OE2-CE 3.28Å; E851-K854 IonicContact OE2-NZ 2.65Å; E851-K854 PolarHBondContact OE2-NZ 3.14Å |
| 852 | K | 83.3 | Confident | 85.7 | Confident | 188 Ų | 188 | 64.7 Ų | 64.7 | 82% | 0.817 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 132.5 | 168.9 | -69 | -178.8 | 178.1 | -179 | 0 | 108.9 | K854 | K852-K854 PolarHBondContact O-N 3.24Š|
| 853 | F | 87.8 | Confident | 85.9 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 127.2 | 171.1 | -176.9 | -129.5 | 0 | 0 | 0 | 109.5 | I857 F922 D923 W934 Q938 V1021 L1022 | F853-I857 HydrophobicContact CZ-CG1 4.24Å; F853-F922 HydrophobicContact CD2-CB 4.26Å; F853-F922 HydrophobicContact CD2-CD2 4.12Å; F853-F922 AromaticContact CE1-CD2 3.99Å; F853-F922 HydrophobicContact CE1-CD2 3.99Å; F853-F922 HydrophobicContact CE1-CE2 4.12Å; F853-F922 HydrophobicContact CE2-CB 3.62Å; F853-F922 AromaticContact CE2-CD2 3.56Å; F853-F922 HydrophobicContact CE2-CD2 3.56Å; F853-F922 HydrophobicContact CE2-CE2 4.44Å; F853-F922 AromaticContact CE2-CG 3.76Å; F853-F922 HydrophobicContact CE2-CG 3.76Å; F853-F922 HydrophobicContact CZ-CB 4.25Å; F853-F922 AromaticContact CZ-CD2 3.46Å; F853-F922 HydrophobicContact CZ-CD2 3.46Å; F853-F922 VanDerWaalsContact CZ-CD2 3.46Å; F853-F922 AromaticContact CZ-CE2 3.91Å; F853-F922 HydrophobicContact CZ-CE2 3.91Å; F853-F922 AromaticContact CZ-CG 3.87Å; F853-F922 HydrophobicContact CZ-CG 3.87Å; F853-D923 WeakPolarHBondContact CA-OD2 3.27Å; F853-D923 HydrophobicContact CD2-CB 4.43Å; F853-D923 WeakPolarHBondContact CD2-OD2 3.49Å; F853-W934 HydrophobicContact CB-CH2 3.88Å; F853-W934 HydrophobicContact CB-CZ2 4.38Å; F853-W934 HydrophobicContact CG-CH2 4.46Å; F853-Q938 HydrophobicContact CB-CB 4.43Å; F853-Q938 HydrophobicContact CB-CG 3.94Å; F853-Q938 HydrophobicContact CD1-CB 3.8Å; F853-Q938 HydrophobicContact CD1-CG 4.19Å; F853-Q938 HydrophobicContact CG-CB 4.44Å; F853-Q938 HydrophobicContact CG-CG 4.33Å; F853-V1021 HydrophobicContact CD1-CB 4.03Å; F853-V1021 HydrophobicContact CD1-CG1 3.8Å; F853-V1021 HydrophobicContact CE1-CG1 4.3Å; F853-L1022 HydrophobicContact CE1-CB 4.21Å |
| 854 | K | 88.2 | Confident | 86.4 | Confident | 122 Ų | 122 | 63.3 Ų | 63.3 | 53% | 0.53 | 32% | 0.317 | S | S | . | . | trans | -88.2 | -25.2 | -178.6 | -65 | 155 | -169.1 | 157.3 | 0 | 111 | E851 K852 P884 D923 | E851-K854 WeakPolarHBondContact OE2-CE 3.28Å; E851-K854 IonicContact OE2-NZ 2.65Å; E851-K854 PolarHBondContact OE2-NZ 3.14Å; K852-K854 PolarHBondContact O-N 3.24Å; K854-P884 WeakPolarHBondContact O-CB 3.35Å; K854-D923 PolarHBondContact N-OD2 2.9Å | ||
| 855 | G | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | 112.1 | 3.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | I857 D923 T1052 | G855-I857 PolarHBondContact O-N 3.02Å; G855-D923 PolarHBondContact N-OD1 3.47Å; G855-T1052 WeakPolarHBondContact O-CG2 3.43Å | ||
| 856 | K | 93 | Very high | 87 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | trans | -74.7 | 123.9 | -179.9 | -172.1 | -166.6 | -173.6 | -165.8 | 0 | 109.5 | P884 F922 D923 D924 | K856-P884 HydrophobicContact CB-CG 4.17Å; K856-F922 WeakPolarHBondContact O-CA 3.26Å; K856-D923 VanDerWaalsContact CB-OD1 3.3Å; K856-D923 WeakPolarHBondContact CB-OD1 3.45Å; K856-D923 PolarHBondContact N-OD1 2.66Å; K856-D923 PolarHBondContact O-N 2.88Å; K856-D924 IonicContact NZ-OD1 3.65Å; K856-D924 PolarHBondContact NZ-OD1 3.15Å; K856-D924 IonicContact NZ-OD2 2.76Å; K856-D924 PolarHBondContact NZ-OD2 3.17Å | ||
| 857 | I | 93.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.1 | 175.7 | -52.4 | 168.3 | 0 | 0 | 0 | 108.5 | F853 G855 F859 T881 V882 V905 V920 F921 F922 L1022 L1054 | F853-I857 HydrophobicContact CZ-CG1 4.24Å; G855-I857 PolarHBondContact O-N 3.02Å; I857-F859 HydrophobicContact CG2-CD2 4.39Å; I857-F859 HydrophobicContact CG2-CE2 3.93Å; I857-F859 HydrophobicContact CG2-CZ 4.28Å; I857-T881 CarbonylContact O-C 3.57Å; I857-T881 WeakPolarHBondContact O-CA 3.45Å; I857-V882 HydrophobicContact CB-CB 4.13Å; I857-V882 HydrophobicContact CB-CG2 4.29Å; I857-V882 PolarHBondContact N-O 2.92Å; I857-V882 PolarHBondContact O-N 3.33Å; I857-V905 HydrophobicContact CG2-CG2 4.45Å; I857-V920 HydrophobicContact CG2-CG1 4.14Å; I857-F921 CarbonylContact C-O 3.51Å; I857-F921 WeakPolarHBondContact CA-O 3.49Å; I857-F922 HydrophobicContact CG1-CE1 4.45Å; I857-F922 HydrophobicContact CG2-CE1 4.37Å; I857-L1022 HydrophobicContact CD1-CD1 3.64Å; I857-L1022 HydrophobicContact CD1-CD2 3.48Å; I857-L1022 VanDerWaalsContact CD1-CD2 3.48Å; I857-L1022 HydrophobicContact CD1-CG 4.17Å; I857-L1054 HydrophobicContact CD1-CD1 3.68Å; I857-L1054 HydrophobicContact CD1-CG 4.47Å |
| 858 | S | 93.1 | Very high | 85.8 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.7 | 172.2 | -63.3 | 0 | 0 | 0 | 0 | 111 | T881 V920 F921 | S858-T881 VanDerWaalsContact OG-CG2 3.29Å; S858-T881 WeakPolarHBondContact OG-CG2 3.44Å; S858-T881 PolarHBondContact OG-OG1 3Å; S858-V920 CarbonylContact O-C 3.55Å; S858-V920 WeakPolarHBondContact O-CA 3.32Å; S858-F921 PolarHBondContact N-O 3.1Å; S858-F921 PolarHBondContact O-N 2.95Å |
| 859 | F | 92.6 | Very high | 84.6 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.022 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123.8 | 163.1 | -54.8 | -97.1 | 0 | 0 | 0 | 107.2 | I857 V862 F878 S879 H880 L901 V905 V920 | I857-F859 HydrophobicContact CG2-CD2 4.39Å; I857-F859 HydrophobicContact CG2-CE2 3.93Å; I857-F859 HydrophobicContact CG2-CZ 4.28Å; F859-V862 HydrophobicContact CB-CG2 4.03Å; F859-V862 HydrophobicContact CD1-CG2 4.37Å; F859-F878 HydrophobicContact CB-CD1 3.8Å; F859-F878 HydrophobicContact CB-CE1 3.9Å; F859-F878 HydrophobicContact CD1-CD1 4.33Å; F859-F878 HydrophobicContact CD1-CE1 4.28Å; F859-F878 HydrophobicContact CD2-CE1 4.03Å; F859-F878 HydrophobicContact CG-CD1 4.07Å; F859-F878 AromaticContact CG-CE1 3.83Å; F859-F878 HydrophobicContact CG-CE1 3.83Å; F859-S879 CarbonylContact O-C 3.53Å; F859-S879 VanDerWaalsContact O-CA 3.31Å; F859-S879 WeakPolarHBondContact O-CA 3.37Å; F859-H880 PolarHBondContact N-O 3.4Å; F859-H880 PolarHBondContact O-N 3.24Å; F859-L901 HydrophobicContact CD1-CD2 3.81Å; F859-L901 HydrophobicContact CE1-CB 4.21Å; F859-L901 HydrophobicContact CE1-CD2 3.69Å; F859-L901 HydrophobicContact CZ-CB 4.38Å; F859-L901 HydrophobicContact CZ-CD2 4.4Å; F859-V905 HydrophobicContact CE1-CG2 3.77Å; F859-V905 HydrophobicContact CZ-CG2 3.45Å; F859-V905 VanDerWaalsContact CZ-CG2 3.45Å; F859-V920 HydrophobicContact CD1-CG1 4.29Å; F859-V920 HydrophobicContact CD1-CG2 3.75Å; F859-V920 HydrophobicContact CE1-CG1 4.25Å; F859-V920 HydrophobicContact CE1-CG2 4.06Å |
| 860 | K | 90.9 | Very high | 83.4 | Confident | 68 Ų | 68 | 64.2 Ų | 64.2 | 30% | 0.296 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.1 | 171.8 | -60.6 | -176 | -175.2 | -177.5 | 0 | 108.9 | V862 D917 N918 G919 F921 | K860-V862 VanDerWaalsContact C-N 3.32Å; K860-V862 PolarHBondContact O-N 3.15Å; K860-D917 WeakPolarHBondContact CB-O 3.37Å; K860-D917 HydrophobicContact CD-CB 4.37Å; K860-D917 WeakPolarHBondContact CD-O 3.42Å; K860-D917 IonicContact NZ-OD1 3.9Å; K860-D917 PolarHBondContact NZ-OD1 2.9Å; K860-N918 WeakPolarHBondContact O-CA 3.4Å; K860-G919 PolarHBondContact N-O 3.41Å; K860-G919 PolarHBondContact O-N 3.42Å; K860-F921 HydrophobicContact CB-CE2 4.06Å; K860-F921 HydrophobicContact CD-CD2 4.27Å; K860-F921 HydrophobicContact CD-CE2 3.76Å; K860-F921 HydrophobicContact CD-CZ 4.12Å; K860-F921 HydrophobicContact CG-CD2 4.21Å; K860-F921 HydrophobicContact CG-CE2 3.97Å |
| 861 | N | 89.1 | Confident | 82.9 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 31% | 0.31 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.8 | 49.5 | 169.8 | -55 | -20.3 | 0 | 0 | 0 | 113.2 | D863 N877 F878 S879 N918 | N861-D863 PolarHBondContact O-N 3.38Å; N861-N877 VanDerWaalsContact CA-OD1 3.26Å; N861-N877 WeakPolarHBondContact CA-OD1 3.43Å; N861-N877 WeakPolarHBondContact CB-OD1 3.26Å; N861-N877 PolarHBondContact OD1-OD1 3.23Å; N861-F878 PolarHBondContact N-O 3.18Å; N861-S879 PolarHBondContact N-OG 3.08Å; N861-S879 PolarHBondContact OD1-OG 3.36Å; N861-S879 VanDerWaalsContact OD1-OG 3.05Å; N861-N918 HydrophobicContact CB-CB 4.37Å; N861-N918 WeakPolarHBondContact CB-OD1 3.34Å; N861-N918 PolarHBondContact ND2-OD1 3.32Å; N861-N918 VanDerWaalsContact ND2-OD1 3.09Å |
| 862 | V | 90 | Very high | 82.8 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 107.1 | -172.8 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | F859 K860 L875 N877 F878 L904 P911 G919 V920 | F859-V862 HydrophobicContact CB-CG2 4.03Å; F859-V862 HydrophobicContact CD1-CG2 4.37Å; K860-V862 VanDerWaalsContact C-N 3.32Å; K860-V862 PolarHBondContact O-N 3.15Å; V862-L875 HydrophobicContact CG1-CD1 4.17Å; V862-N877 PolarHBondContact O-N 3.17Å; V862-F878 HydrophobicContact CB-CB 4.33Å; V862-F878 PolarHBondContact N-O 3.3Å; V862-F878 PolarHBondContact O-N 3.12Å; V862-L904 HydrophobicContact CG1-CD1 3.77Å; V862-P911 HydrophobicContact CG1-CB 4.29Å; V862-P911 HydrophobicContact CG1-CG 4.18Å; V862-G919 WeakPolarHBondContact CG2-O 3.39Å; V862-V920 HydrophobicContact CG2-CG2 4.32Å |
| 863 | D | 89.4 | Confident | 82.7 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 137.7 | 163.6 | -81.1 | -88.4 | 0 | 0 | 0 | 110.8 | N861 R873 L875 L912 Y913 | N861-D863 PolarHBondContact O-N 3.38Å; D863-R873 IonicContact OD1-NH1 2.65Å; D863-R873 PolarHBondContact OD1-NH1 3.45Å; D863-R873 VanDerWaalsContact OD1-NH1 3.12Å; D863-L875 WeakPolarHBondContact CA-O 3.48Å; D863-L912 HydrophobicContact CB-CB 4.25Å; D863-L912 HydrophobicContact CB-CD1 4.26Å; D863-L912 PolarHBondContact O-N 3.25Å; D863-Y913 HydrophobicContact CB-CD2 3.68Å; D863-Y913 HydrophobicContact CB-CE2 3.81Å; D863-Y913 WeakPolarHBondContact OD2-CD2 3.41Å; D863-Y913 WeakPolarHBondContact OD2-CE2 3.34Å |
| 864 | F | 88.8 | Confident | 82.6 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 151.1 | 178 | -173.9 | -100.1 | 0 | 0 | 0 | 114.4 | Y866 V874 L875 T900 L904 Y909 | F864-Y866 HydrophobicContact CD1-CE2 4.47Å; F864-Y866 AromaticContact CE1-CD1 3.83Å; F864-Y866 HydrophobicContact CE1-CD1 3.83Å; F864-Y866 AromaticContact CE1-CD2 3.84Å; F864-Y866 HydrophobicContact CE1-CD2 3.84Å; F864-Y866 AromaticContact CE1-CE1 3.88Å; F864-Y866 HydrophobicContact CE1-CE1 3.88Å; F864-Y866 AromaticContact CE1-CE2 3.87Å; F864-Y866 HydrophobicContact CE1-CE2 3.87Å; F864-Y866 AromaticContact CE1-CG 3.81Å; F864-Y866 HydrophobicContact CE1-CG 3.81Å; F864-Y866 AromaticContact CE1-CZ 3.89Å; F864-Y866 HydrophobicContact CZ-CD1 4.12Å; F864-Y866 HydrophobicContact CZ-CE1 4.31Å; F864-Y866 HydrophobicContact CZ-CG 4.37Å; F864-V874 PolarHBondContact O-N 3.1Å; F864-L875 HydrophobicContact CB-CB 4.01Å; F864-L875 HydrophobicContact CB-CD1 4.11Å; F864-L875 HydrophobicContact CB-CG 4.31Å; F864-L875 PolarHBondContact N-O 3.48Å; F864-L875 VanDerWaalsContact N-O 3.07Å; F864-L875 PolarHBondContact O-N 3.32Å; F864-T900 HydrophobicContact CD1-CG2 3.34Å; F864-T900 HydrophobicContact CE1-CG2 3.68Å; F864-T900 HydrophobicContact CG-CG2 4.18Å; F864-L904 HydrophobicContact CB-CD1 4.32Å; F864-L904 HydrophobicContact CD2-CD2 3.92Å; F864-L904 HydrophobicContact CE2-CD2 4.14Å; F864-L904 HydrophobicContact CG-CD1 4.38Å; F864-L904 HydrophobicContact CG-CD2 4.48Å; F864-Y909 HydrophobicContact CE2-CD2 4.43Å; F864-Y909 HydrophobicContact CE2-CG 4.03Å; F864-Y909 HydrophobicContact CZ-CD1 4.25Å; F864-Y909 AromaticContact CZ-CD2 3.87Å; F864-Y909 HydrophobicContact CZ-CD2 3.87Å; F864-Y909 AromaticContact CZ-CG 3.67Å; F864-Y909 HydrophobicContact CZ-CG 3.67Å |
| 865 | K | 87.1 | Confident | 82.7 | Confident | 67 Ų | 67 | 55.3 Ų | 55.3 | 29% | 0.291 | 27% | 0.272 | S | S | . | . | trans | -152.1 | 133.2 | 178.1 | 172.8 | 179.9 | 178.5 | 180 | 0 | 109.2 | Q869 T870 L912 | K865-Q869 WeakPolarHBondContact CE-O 3.42Å; K865-T870 VanDerWaalsContact CE-O 3.28Å; K865-T870 WeakPolarHBondContact CE-O 3.42Å; K865-T870 VanDerWaalsContact NZ-C 3.3Å; K865-T870 PolarHBondContact NZ-O 2.78Å; K865-L912 HydrophobicContact CB-CD1 3.85Å; K865-L912 HydrophobicContact CB-CD2 4.32Å; K865-L912 HydrophobicContact CB-CG 4.33Å | ||
| 866 | Y | 83 | Confident | 82.7 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 18% | 0.18 | 29% | 0.289 | C | S | . | . | trans | -72.1 | 136.7 | 177.6 | -74 | -82.8 | 0 | 0 | 0 | 111.9 | F864 A868 Q869 V874 T900 Q903 Y909 | F864-Y866 HydrophobicContact CD1-CE2 4.47Å; F864-Y866 AromaticContact CE1-CD1 3.83Å; F864-Y866 HydrophobicContact CE1-CD1 3.83Å; F864-Y866 AromaticContact CE1-CD2 3.84Å; F864-Y866 HydrophobicContact CE1-CD2 3.84Å; F864-Y866 AromaticContact CE1-CE1 3.88Å; F864-Y866 HydrophobicContact CE1-CE1 3.88Å; F864-Y866 AromaticContact CE1-CE2 3.87Å; F864-Y866 HydrophobicContact CE1-CE2 3.87Å; F864-Y866 AromaticContact CE1-CG 3.81Å; F864-Y866 HydrophobicContact CE1-CG 3.81Å; F864-Y866 AromaticContact CE1-CZ 3.89Å; F864-Y866 HydrophobicContact CZ-CD1 4.12Å; F864-Y866 HydrophobicContact CZ-CE1 4.31Å; F864-Y866 HydrophobicContact CZ-CG 4.37Å; Y866-A868 PolarHBondContact O-N 3.39Å; Y866-Q869 PolarHBondContact O-N 2.98Å; Y866-V874 HydrophobicContact CD2-CG2 3.9Å; Y866-V874 HydrophobicContact CE2-CG1 4.47Å; Y866-V874 HydrophobicContact CE2-CG2 4.11Å; Y866-T900 HydrophobicContact CE2-CG2 4.09Å; Y866-T900 PolarHBondContact OH-OG1 3.3Å; Y866-Q903 PolarHBondContact OH-OE1 3.46Å; Y866-Y909 HydrophobicContact CD1-CE1 4.33Å; Y866-Y909 HydrophobicContact CD1-CE2 4.44Å; Y866-Y909 HydrophobicContact CE1-CD2 4.43Å; Y866-Y909 HydrophobicContact CE1-CE1 4.34Å; Y866-Y909 AromaticContact CE1-CE2 3.71Å; Y866-Y909 HydrophobicContact CE1-CE2 3.71Å; Y866-Y909 AromaticContact CE1-CZ 3.68Å | ||
| 867 | S | 71.8 | Confident | 82.4 | Confident | 76 Ų | 76 | 60.9 Ų | 60.9 | 53% | 0.531 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.3 | -179.9 | -57.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 868 | A | 66.5 | Low | 82.3 | Confident | 55 Ų | 55 | 61 Ų | 61 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -15.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y866 | Y866-A868 PolarHBondContact O-N 3.39Š|
| 869 | Q | 61.8 | Low | 82.2 | Confident | 109 Ų | 109 | 62.6 Ų | 62.6 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | trans | -114.4 | 112.9 | -179.1 | -68.7 | -175.8 | -3.4 | 0 | 0 | 110.1 | K865 Y866 E871 | K865-Q869 WeakPolarHBondContact CE-O 3.42Å; Y866-Q869 PolarHBondContact O-N 2.98Å; Q869-E871 VanDerWaalsContact C-N 3.3Å; Q869-E871 PolarHBondContact O-N 2.96Å | ||
| 870 | T | 56.5 | Low | 82.2 | Confident | 123 Ų | 123 | 63.2 Ų | 63.2 | 76% | 0.755 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -75 | -7.8 | -166.5 | 36.5 | 0 | 0 | 0 | 0 | 115.5 | K865 | K865-T870 VanDerWaalsContact CE-O 3.28Å; K865-T870 WeakPolarHBondContact CE-O 3.42Å; K865-T870 VanDerWaalsContact NZ-C 3.3Å; K865-T870 PolarHBondContact NZ-O 2.78Å |
| 871 | E | 67.6 | Low | 82.3 | Confident | 169 Ų | 169 | 63.2 Ų | 63.2 | 79% | 0.79 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -130.4 | -62.7 | -172.1 | -60.3 | -168.9 | 167.9 | 0 | 0 | 114.5 | Q869 R873 | Q869-E871 VanDerWaalsContact C-N 3.3Å; Q869-E871 PolarHBondContact O-N 2.96Å; E871-R873 PolarHBondContact O-N 3.3Å |
| 872 | R | 76.4 | Confident | 82.5 | Confident | 169 Ų | 169 | 60.5 Ų | 60.5 | 64% | 0.638 | 31% | 0.307 | S | S | * | . | trans | -63.2 | 122 | -171.1 | -167.4 | 172 | -175.2 | 170.5 | 2.6 | 113.2 | ||||
| 873 | R | 81.8 | Confident | 82.6 | Confident | 106 Ų | 106 | 67.1 Ų | 67.1 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | trans | -75.8 | 137.4 | 163.1 | -61.2 | -173.5 | -170.9 | -157.8 | 2.4 | 109.4 | D863 E871 K876 Y913 | D863-R873 IonicContact OD1-NH1 2.65Å; D863-R873 PolarHBondContact OD1-NH1 3.45Å; D863-R873 VanDerWaalsContact OD1-NH1 3.12Å; E871-R873 PolarHBondContact O-N 3.3Å; R873-K876 HydrophobicContact CB-CG 4.49Å; R873-Y913 PolarHBondContact NH1-OH 3.43Å; R873-Y913 PolarHBondContact NH2-OH 3.47Å; R873-Y913 VanDerWaalsContact NH2-OH 3.12Å | ||
| 874 | V | 86.4 | Confident | 82.7 | Confident | 17 Ų | 17 | 69.8 Ų | 69.8 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -99.5 | -41.2 | -177.7 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | F864 Y866 T900 G1075 | F864-V874 PolarHBondContact O-N 3.1Å; Y866-V874 HydrophobicContact CD2-CG2 3.9Å; Y866-V874 HydrophobicContact CE2-CG1 4.47Å; Y866-V874 HydrophobicContact CE2-CG2 4.11Å; V874-T900 HydrophobicContact CG1-CG2 4.3Å; V874-G1075 WeakPolarHBondContact O-CA 3.26Å |
| 875 | L | 89.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.6 | 170.7 | -62.3 | 173.4 | 0 | 0 | 0 | 109.2 | V862 D863 F864 T900 L901 L904 L1072 | V862-L875 HydrophobicContact CG1-CD1 4.17Å; D863-L875 WeakPolarHBondContact CA-O 3.48Å; F864-L875 HydrophobicContact CB-CB 4.01Å; F864-L875 HydrophobicContact CB-CD1 4.11Å; F864-L875 HydrophobicContact CB-CG 4.31Å; F864-L875 PolarHBondContact N-O 3.48Å; F864-L875 VanDerWaalsContact N-O 3.07Å; F864-L875 PolarHBondContact O-N 3.32Å; L875-T900 HydrophobicContact CD1-CG2 4.1Å; L875-T900 HydrophobicContact CG-CG2 4.39Å; L875-L901 HydrophobicContact CD1-CD2 3.57Å; L875-L901 HydrophobicContact CD1-CG 4.09Å; L875-L901 HydrophobicContact CD2-CD2 4.25Å; L875-L901 HydrophobicContact CD2-CG 4.24Å; L875-L904 HydrophobicContact CD1-CD1 3.69Å; L875-L1072 HydrophobicContact CD2-CD2 4.12Å |
| 876 | K | 87.9 | Confident | 82.9 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 109.5 | -176.7 | -61.3 | 176.1 | -166.1 | 146.3 | 0 | 108.5 | R873 F878 D1074 G1075 | R873-K876 HydrophobicContact CB-CG 4.49Å; K876-F878 PolarHBondContact O-N 3.18Å; K876-F878 VanDerWaalsContact O-N 3.08Å; K876-D1074 VanDerWaalsContact CD-O 3.27Å; K876-D1074 WeakPolarHBondContact CD-O 3.4Å; K876-D1074 WeakPolarHBondContact CE-O 3.39Å; K876-D1074 PolarHBondContact NZ-O 3.4Å; K876-G1075 PolarHBondContact N-O 2.93Å |
| 877 | N | 87.2 | Confident | 83.4 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.7 | 39.8 | 177.1 | -162.5 | 30.9 | 0 | 0 | 0 | 115.3 | N861 V862 S879 | N861-N877 VanDerWaalsContact CA-OD1 3.26Å; N861-N877 WeakPolarHBondContact CA-OD1 3.43Å; N861-N877 WeakPolarHBondContact CB-OD1 3.26Å; N861-N877 PolarHBondContact OD1-OD1 3.23Å; V862-N877 PolarHBondContact O-N 3.17Å; N877-S879 PolarHBondContact O-N 3.16Å |
| 878 | F | 90.6 | Very high | 84.4 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 128.4 | -173.6 | 179.5 | -87.6 | 0 | 0 | 0 | 112.2 | F859 N861 V862 K876 H880 L901 V1070 L1072 K1077 | F859-F878 HydrophobicContact CB-CD1 3.8Å; F859-F878 HydrophobicContact CB-CE1 3.9Å; F859-F878 HydrophobicContact CD1-CD1 4.33Å; F859-F878 HydrophobicContact CD1-CE1 4.28Å; F859-F878 HydrophobicContact CD2-CE1 4.03Å; F859-F878 HydrophobicContact CG-CD1 4.07Å; F859-F878 AromaticContact CG-CE1 3.83Å; F859-F878 HydrophobicContact CG-CE1 3.83Å; N861-F878 PolarHBondContact N-O 3.18Å; V862-F878 HydrophobicContact CB-CB 4.33Å; V862-F878 PolarHBondContact N-O 3.3Å; V862-F878 PolarHBondContact O-N 3.12Å; K876-F878 PolarHBondContact O-N 3.18Å; K876-F878 VanDerWaalsContact O-N 3.08Å; F878-H880 HydrophobicContact CE1-CB 3.81Å; F878-H880 HydrophobicContact CZ-CB 3.87Å; F878-L901 HydrophobicContact CD1-CD1 4.27Å; F878-L901 HydrophobicContact CD1-CD2 3.62Å; F878-L901 HydrophobicContact CD2-CD1 4.47Å; F878-L901 HydrophobicContact CE1-CD1 3.73Å; F878-L901 HydrophobicContact CE1-CD2 3.74Å; F878-L901 HydrophobicContact CE1-CG 4.43Å; F878-L901 HydrophobicContact CE2-CD1 3.95Å; F878-L901 HydrophobicContact CG-CD2 4.18Å; F878-L901 HydrophobicContact CZ-CD1 3.55Å; F878-L901 HydrophobicContact CZ-CD2 4.39Å; F878-V1070 HydrophobicContact CE2-CG1 4.36Å; F878-V1070 HydrophobicContact CZ-CG1 4.28Å; F878-L1072 HydrophobicContact CD2-CD2 4.09Å; F878-L1072 HydrophobicContact CD2-CG 4.41Å; F878-L1072 HydrophobicContact CE2-CD1 4.11Å; F878-L1072 HydrophobicContact CE2-CD2 3.91Å; F878-L1072 HydrophobicContact CE2-CG 3.91Å; F878-K1077 HydrophobicContact CD2-CB 4.05Å; F878-K1077 HydrophobicContact CE2-CB 3.83Å |
| 879 | S | 91.5 | Very high | 85.6 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 120.5 | -177.8 | -72.6 | 0 | 0 | 0 | 0 | 112.9 | F859 N861 N877 K1077 | F859-S879 CarbonylContact O-C 3.53Å; F859-S879 VanDerWaalsContact O-CA 3.31Å; F859-S879 WeakPolarHBondContact O-CA 3.37Å; N861-S879 PolarHBondContact N-OG 3.08Å; N861-S879 PolarHBondContact OD1-OG 3.36Å; N861-S879 VanDerWaalsContact OD1-OG 3.05Å; N877-S879 PolarHBondContact O-N 3.16Å; S879-K1077 PolarHBondContact O-NZ 3Å |
| 880 | H | 92 | Very high | 87.1 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 151.8 | 179.9 | -168 | 83.4 | 0 | 0 | 0 | 111.9 | F859 F878 L1068 V1070 | F859-H880 PolarHBondContact N-O 3.4Å; F859-H880 PolarHBondContact O-N 3.24Å; F878-H880 HydrophobicContact CE1-CB 3.81Å; F878-H880 HydrophobicContact CZ-CB 3.87Å; H880-L1068 WeakPolarHBondContact NE2-CD2 3.39Å; H880-V1070 WeakPolarHBondContact CE1-CG2 3.47Å |
| 881 | T | 93.1 | Very high | 88.6 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 124.1 | 177.9 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | I857 S858 | I857-T881 CarbonylContact O-C 3.57Å; I857-T881 WeakPolarHBondContact O-CA 3.45Å; S858-T881 VanDerWaalsContact OG-CG2 3.29Å; S858-T881 WeakPolarHBondContact OG-CG2 3.44Å; S858-T881 PolarHBondContact OG-OG1 3Å |
| 882 | V | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.6 | 173.9 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | I857 Q886 V888 T1052 L1054 | I857-V882 HydrophobicContact CB-CB 4.13Å; I857-V882 HydrophobicContact CB-CG2 4.29Å; I857-V882 PolarHBondContact N-O 2.92Å; I857-V882 PolarHBondContact O-N 3.33Å; V882-Q886 HydrophobicContact CG1-CB 4.49Å; V882-V888 HydrophobicContact CB-CG2 4.34Å; V882-V888 HydrophobicContact CG1-CG2 3.75Å; V882-V888 HydrophobicContact CG2-CB 4.42Å; V882-V888 HydrophobicContact CG2-CG2 4.09Å; V882-T1052 HydrophobicContact CG1-CG2 3.49Å; V882-T1052 VanDerWaalsContact CG1-CG2 3.49Å; V882-L1054 HydrophobicContact CG2-CD2 4.07Å |
| 883 | K | 92.6 | Very high | 89.8 | Confident | 140 Ų | 140 | 38.1 Ų | 38.1 | 61% | 0.609 | 21% | 0.208 | S | C | * | . | P | Polyproline II helix | trans | -87.1 | 151.6 | 174.4 | -61 | 177.7 | -177.5 | 176.8 | 0 | 111.3 | G885 Q886 | K883-G885 PolarHBondContact O-N 2.99Å; K883-Q886 HydrophobicContact CB-CB 4.17Å; K883-Q886 VanDerWaalsContact N-OE1 3.13Å; K883-Q886 WeakPolarHBondContact O-CB 3.43Å; K883-Q886 PolarHBondContact O-N 3.08Å; K883-Q886 VanDerWaalsContact O-N 3.15Å |
| 884 | P | 91.8 | Very high | 89.7 | Confident | 72 Ų | 72 | 37.8 Ų | 37.8 | 47% | 0.468 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 131.9 | 166.9 | -32.4 | 39.2 | 0 | 0 | 0 | 113.1 | K854 K856 Q886 | K854-P884 WeakPolarHBondContact O-CB 3.35Å; K856-P884 HydrophobicContact CB-CG 4.17Å; P884-Q886 PolarHBondContact O-N 3.24Å |
| 885 | G | 89.6 | Confident | 89.3 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 2.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K883 T1052 | K883-G885 PolarHBondContact O-N 2.99Å; G885-T1052 PolarHBondContact N-OG1 3.42Å |
| 886 | Q | 91.5 | Very high | 89 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | trans | -89.7 | 139 | -177.9 | -166.5 | 176.8 | 15.4 | 0 | 0 | 111.9 | V882 K883 P884 V888 S1053 D1067 | V882-Q886 HydrophobicContact CG1-CB 4.49Å; K883-Q886 HydrophobicContact CB-CB 4.17Å; K883-Q886 VanDerWaalsContact N-OE1 3.13Å; K883-Q886 WeakPolarHBondContact O-CB 3.43Å; K883-Q886 PolarHBondContact O-N 3.08Å; K883-Q886 VanDerWaalsContact O-N 3.15Å; P884-Q886 PolarHBondContact O-N 3.24Å; Q886-V888 HydrophobicContact CG-CG2 3.99Å; Q886-S1053 PolarHBondContact O-N 2.88Å; Q886-D1067 HydrophobicContact CG-CB 3.7Å | ||
| 887 | T | 92.2 | Very high | 88.9 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119 | 169.5 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | M1048 S1053 V1055 A1066 D1067 L1068 | T887-M1048 HydrophobicContact CG2-SD 3.76Å; T887-S1053 WeakPolarHBondContact CA-O 3.48Å; T887-V1055 HydrophobicContact CG2-CG2 4.06Å; T887-A1066 HydrophobicContact CG2-CB 4Å; T887-D1067 PolarHBondContact N-OD2 3.26Å; T887-D1067 PolarHBondContact O-N 2.9Å; T887-L1068 PolarHBondContact O-N 3.04Å |
| 888 | V | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 115.4 | -176.7 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | V882 Q886 S1053 L1054 V1055 L1068 V1070 | V882-V888 HydrophobicContact CB-CG2 4.34Å; V882-V888 HydrophobicContact CG1-CG2 3.75Å; V882-V888 HydrophobicContact CG2-CB 4.42Å; V882-V888 HydrophobicContact CG2-CG2 4.09Å; Q886-V888 HydrophobicContact CG-CG2 3.99Å; V888-S1053 PolarHBondContact N-O 3.1Å; V888-L1054 HydrophobicContact CB-CD2 4.22Å; V888-L1054 HydrophobicContact CG1-CD2 4.49Å; V888-V1055 PolarHBondContact O-N 3.35Å; V888-L1068 CarbonylContact C-O 3.55Å; V888-L1068 VanDerWaalsContact CA-O 3.31Å; V888-L1068 WeakPolarHBondContact CA-O 3.27Å; V888-L1068 HydrophobicContact CG1-CD2 4.4Å; V888-L1068 HydrophobicContact CG2-CB 4.26Å; V888-L1068 HydrophobicContact CG2-CD2 4.26Å; V888-V1070 HydrophobicContact CG1-CG2 3.66Å |
| 889 | A | 92.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V891 V1055 I1063 A1066 L1068 V1069 V1070 | A889-V891 HydrophobicContact CB-CG2 4.24Å; A889-V1055 CarbonylContact C-O 3.56Å; A889-V1055 WeakPolarHBondContact CA-O 3.43Å; A889-I1063 HydrophobicContact CB-CB 4.49Å; A889-I1063 HydrophobicContact CB-CG1 4.15Å; A889-I1063 HydrophobicContact CB-CG2 3.85Å; A889-A1066 HydrophobicContact CB-CB 4.01Å; A889-L1068 PolarHBondContact N-O 2.92Å; A889-V1069 HydrophobicContact CB-CG2 4.41Å; A889-V1069 CarbonylContact O-C 3.6Å; A889-V1070 PolarHBondContact O-N 3.47Å |
| 890 | L | 92 | Very high | 88.9 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111.7 | 176.7 | -58.3 | -178.2 | 0 | 0 | 0 | 109.1 | L901 L902 L1054 V1055 V1056 V1070 L1072 | L890-L901 HydrophobicContact CD1-CB 4.09Å; L890-L901 HydrophobicContact CD1-CD1 3.94Å; L890-L901 HydrophobicContact CD2-CD1 4.37Å; L890-L902 HydrophobicContact CD1-CD2 3.99Å; L890-L1054 HydrophobicContact CD1-CD2 4.39Å; L890-V1055 PolarHBondContact N-O 3.26Å; L890-V1056 HydrophobicContact CB-CG2 3.98Å; L890-V1056 HydrophobicContact CD1-CG2 4.07Å; L890-V1070 HydrophobicContact CD2-CB 4Å; L890-V1070 HydrophobicContact CD2-CG2 4.39Å; L890-L1072 HydrophobicContact CB-CD1 4.45Å; L890-L1072 HydrophobicContact CD2-CD1 4.39Å |
| 891 | V | 89.5 | Confident | 88.9 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 155.2 | -168.6 | -160 | 0 | 0 | 0 | 0 | 110.1 | A889 I1063 V1069 V1070 V1071 L1072 L1096 | A889-V891 HydrophobicContact CB-CG2 4.24Å; V891-I1063 HydrophobicContact CG1-CD1 4.06Å; V891-I1063 HydrophobicContact CG2-CD1 3.57Å; V891-I1063 HydrophobicContact CG2-CG1 4.4Å; V891-V1069 HydrophobicContact CB-CG1 4.36Å; V891-V1069 HydrophobicContact CG2-CG1 3.57Å; V891-V1070 PolarHBondContact N-O 3.23Å; V891-V1071 CarbonylContact O-C 3.59Å; V891-V1071 WeakPolarHBondContact O-CA 3.44Å; V891-L1072 PolarHBondContact O-N 3.4Å; V891-L1096 HydrophobicContact CG1-CD1 4.24Å |
| 892 | G | 85.7 | Confident | 88.9 | Confident | 9 Ų | 9 | 28.4 Ų | 28.4 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | trans | 146.2 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | K898 | G892-K898 WeakPolarHBondContact O-CD 3.48Å; G892-K898 PolarHBondContact O-NZ 3.09Å | ||
| 893 | P | 82.6 | Confident | 88.8 | Confident | 67 Ų | 67 | 29.6 Ų | 29.6 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -66.9 | 159.4 | -174.9 | 27.3 | -34.4 | 0 | 0 | 0 | 112.7 | G895 C896 L1072 | P893-G895 PolarHBondContact O-N 3.46Å; P893-C896 HydrophobicContact CG-CB 4.23Å; P893-C896 WeakPolarHBondContact O-CB 3.29Å; P893-C896 PolarHBondContact O-N 2.85Å; P893-C896 PolarHBondContact O-SG 2.85Å; P893-L1072 WeakPolarHBondContact CD-O 3.37Å |
| 894 | S | 80.4 | Confident | 88.8 | Confident | 99 Ų | 99 | 23 Ų | 23 | 69% | 0.692 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 134.4 | 178.3 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | C896 | S894-C896 VanDerWaalsContact C-N 3.35Å; S894-C896 PolarHBondContact O-N 3.48Å |
| 895 | G | 77.6 | Confident | 88.9 | Confident | 65 Ų | 65 | 19.6 Ų | 19.6 | 67% | 0.67 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79 | 0.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | P893 G897 | P893-G895 PolarHBondContact O-N 3.46Å; G895-G897 PolarHBondContact O-N 3.31Å |
| 896 | C | 83.5 | Confident | 89 | Confident | 7 Ų | 7 | 18.4 Ų | 18.4 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -72.3 | -4.4 | 178.7 | 73.1 | 0 | 0 | 0 | 0 | 115.5 | P893 S894 K898 L1072 G1075 | P893-C896 HydrophobicContact CG-CB 4.23Å; P893-C896 WeakPolarHBondContact O-CB 3.29Å; P893-C896 PolarHBondContact O-N 2.85Å; P893-C896 PolarHBondContact O-SG 2.85Å; S894-C896 VanDerWaalsContact C-N 3.35Å; S894-C896 PolarHBondContact O-N 3.48Å; C896-K898 WeakPolarHBondContact SG-CG 3.49Å; C896-L1072 HydrophobicContact CB-CB 4.38Å; C896-G1075 WeakPolarHBondContact O-CA 3.16Å; C896-G1075 PolarHBondContact O-N 3.22Å |
| 897 | G | 85.7 | Confident | 89 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 108.4 | 8.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | G895 T900 L901 | G895-G897 PolarHBondContact O-N 3.31Å; G897-T900 WeakPolarHBondContact O-CA 3.48Å; G897-T900 VanDerWaalsContact O-CB 3.25Å; G897-T900 WeakPolarHBondContact O-CB 3.31Å; G897-T900 PolarHBondContact O-N 3.45Å; G897-T900 VanDerWaalsContact O-N 3.11Å; G897-L901 PolarHBondContact O-N 3.41Å; G897-L901 VanDerWaalsContact O-N 3.14Å |
| 898 | K | 88.6 | Confident | 89 | Confident | 13 Ų | 13 | 17.3 Ų | 17.3 | 6% | 0.057 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -48.3 | -67.1 | -177.2 | -41.6 | -166.4 | -53.1 | -112.6 | 0 | 113 | G892 C896 T900 L901 E1027 V1056 | G892-K898 WeakPolarHBondContact O-CD 3.48Å; G892-K898 PolarHBondContact O-NZ 3.09Å; C896-K898 WeakPolarHBondContact SG-CG 3.49Å; K898-T900 PolarHBondContact O-N 2.97Å; K898-L901 WeakPolarHBondContact O-CB 3.32Å; K898-L901 PolarHBondContact O-N 3.06Å; K898-L901 VanDerWaalsContact O-N 3.16Å; K898-E1027 VanDerWaalsContact CE-OE1 3.22Å; K898-E1027 WeakPolarHBondContact CE-OE1 3.32Å; K898-E1027 IonicContact NZ-OE1 3.49Å; K898-E1027 PolarHBondContact NZ-OE1 3.37Å; K898-V1056 HydrophobicContact CB-CB 4.43Å; K898-V1056 HydrophobicContact CB-CG1 3.55Å; K898-V1056 HydrophobicContact CB-CG2 3.9Å; K898-V1056 HydrophobicContact CD-CG1 4.01Å; K898-V1056 HydrophobicContact CG-CG1 4.39Å |
| 899 | S | 89.1 | Confident | 88.9 | Confident | 30 Ų | 30 | 17.9 Ų | 17.9 | 21% | 0.21 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.2 | -22.8 | 178.2 | -46.9 | 0 | 0 | 0 | 0 | 113.3 | L901 L902 Q903 D1026 | S899-L901 VanDerWaalsContact C-N 3.33Å; S899-L901 PolarHBondContact O-N 3.25Å; S899-L902 PolarHBondContact O-N 3.43Å; S899-Q903 VanDerWaalsContact O-CG 3.24Å; S899-Q903 WeakPolarHBondContact O-CG 3.34Å; S899-Q903 PolarHBondContact O-N 3.47Å; S899-D1026 WeakPolarHBondContact CB-OD1 3.04Å; S899-D1026 WeakPolarHBondContact CB-OD2 3.47Å; S899-D1026 PolarHBondContact OG-OD1 3.46Å |
| 900 | T | 90.8 | Very high | 88.7 | Confident | 9 Ų | 9 | 19.3 Ų | 19.3 | 6% | 0.055 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 174.5 | -51.2 | 0 | 0 | 0 | 0 | 111.5 | F864 Y866 V874 L875 G897 K898 Q903 L904 | F864-T900 HydrophobicContact CD1-CG2 3.34Å; F864-T900 HydrophobicContact CE1-CG2 3.68Å; F864-T900 HydrophobicContact CG-CG2 4.18Å; Y866-T900 HydrophobicContact CE2-CG2 4.09Å; Y866-T900 PolarHBondContact OH-OG1 3.3Å; V874-T900 HydrophobicContact CG1-CG2 4.3Å; L875-T900 HydrophobicContact CD1-CG2 4.1Å; L875-T900 HydrophobicContact CG-CG2 4.39Å; G897-T900 WeakPolarHBondContact O-CA 3.48Å; G897-T900 VanDerWaalsContact O-CB 3.25Å; G897-T900 WeakPolarHBondContact O-CB 3.31Å; G897-T900 PolarHBondContact O-N 3.45Å; G897-T900 VanDerWaalsContact O-N 3.11Å; K898-T900 PolarHBondContact O-N 2.97Å; T900-Q903 PolarHBondContact O-N 2.9Å; T900-L904 WeakPolarHBondContact O-CG 3.46Å; T900-L904 PolarHBondContact O-N 3.33Å |
| 901 | L | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 172.1 | -70 | 172.1 | 0 | 0 | 0 | 111.6 | F859 L875 F878 L890 G897 K898 S899 Q903 L904 V905 L1072 | F859-L901 HydrophobicContact CD1-CD2 3.81Å; F859-L901 HydrophobicContact CE1-CB 4.21Å; F859-L901 HydrophobicContact CE1-CD2 3.69Å; F859-L901 HydrophobicContact CZ-CB 4.38Å; F859-L901 HydrophobicContact CZ-CD2 4.4Å; L875-L901 HydrophobicContact CD1-CD2 3.57Å; L875-L901 HydrophobicContact CD1-CG 4.09Å; L875-L901 HydrophobicContact CD2-CD2 4.25Å; L875-L901 HydrophobicContact CD2-CG 4.24Å; F878-L901 HydrophobicContact CD1-CD1 4.27Å; F878-L901 HydrophobicContact CD1-CD2 3.62Å; F878-L901 HydrophobicContact CD2-CD1 4.47Å; F878-L901 HydrophobicContact CE1-CD1 3.73Å; F878-L901 HydrophobicContact CE1-CD2 3.74Å; F878-L901 HydrophobicContact CE1-CG 4.43Å; F878-L901 HydrophobicContact CE2-CD1 3.95Å; F878-L901 HydrophobicContact CG-CD2 4.18Å; F878-L901 HydrophobicContact CZ-CD1 3.55Å; F878-L901 HydrophobicContact CZ-CD2 4.39Å; L890-L901 HydrophobicContact CD1-CB 4.09Å; L890-L901 HydrophobicContact CD1-CD1 3.94Å; L890-L901 HydrophobicContact CD2-CD1 4.37Å; G897-L901 PolarHBondContact O-N 3.41Å; G897-L901 VanDerWaalsContact O-N 3.14Å; K898-L901 WeakPolarHBondContact O-CB 3.32Å; K898-L901 PolarHBondContact O-N 3.06Å; K898-L901 VanDerWaalsContact O-N 3.16Å; S899-L901 VanDerWaalsContact C-N 3.33Å; S899-L901 PolarHBondContact O-N 3.25Å; L901-Q903 VanDerWaalsContact C-N 3.33Å; L901-Q903 PolarHBondContact O-N 2.95Å; L901-L904 PolarHBondContact O-N 3.41Å; L901-V905 WeakPolarHBondContact O-CG2 3.33Å; L901-V905 PolarHBondContact O-N 3.17Å; L901-L1072 HydrophobicContact CD1-CD1 4.22Å; L901-L1072 HydrophobicContact CD1-CD2 3.81Å |
| 902 | L | 92.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 176.8 | -56.8 | -170.9 | 0 | 0 | 0 | 111.8 | L890 S899 L904 V905 L906 V1024 D1026 L1054 V1056 | L890-L902 HydrophobicContact CD1-CD2 3.99Å; S899-L902 PolarHBondContact O-N 3.43Å; L902-L904 VanDerWaalsContact C-N 3.32Å; L902-L904 PolarHBondContact O-N 3.14Å; L902-V905 WeakPolarHBondContact O-CB 3.41Å; L902-V905 PolarHBondContact O-N 3.49Å; L902-L906 WeakPolarHBondContact O-CG 3.39Å; L902-L906 PolarHBondContact O-N 3.35Å; L902-V1024 HydrophobicContact CB-CG1 3.92Å; L902-V1024 HydrophobicContact CD1-CG1 3.79Å; L902-V1024 HydrophobicContact CD2-CG1 4.05Å; L902-V1024 HydrophobicContact CG-CG1 4.12Å; L902-D1026 HydrophobicContact CD1-CB 3.65Å; L902-L1054 HydrophobicContact CD2-CB 3.84Å; L902-L1054 HydrophobicContact CD2-CD1 4.4Å; L902-V1056 HydrophobicContact CD1-CB 4.06Å; L902-V1056 HydrophobicContact CD1-CG2 3.41Å; L902-V1056 VanDerWaalsContact CD1-CG2 3.41Å; L902-V1056 HydrophobicContact CD2-CG2 4.22Å; L902-V1056 HydrophobicContact CG-CG2 3.71Å |
| 903 | Q | 92.1 | Very high | 87.6 | Confident | 24 Ų | 24 | 27.9 Ų | 27.9 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.3 | -27.2 | 178.1 | -66 | 165 | 21.9 | 0 | 0 | 113.1 | Y866 S899 T900 L901 R907 F908 Y909 | Y866-Q903 PolarHBondContact OH-OE1 3.46Å; S899-Q903 VanDerWaalsContact O-CG 3.24Å; S899-Q903 WeakPolarHBondContact O-CG 3.34Å; S899-Q903 PolarHBondContact O-N 3.47Å; T900-Q903 PolarHBondContact O-N 2.9Å; L901-Q903 VanDerWaalsContact C-N 3.33Å; L901-Q903 PolarHBondContact O-N 2.95Å; Q903-R907 PolarHBondContact O-N 3.38Å; Q903-F908 HydrophobicContact CB-CB 4.48Å; Q903-F908 HydrophobicContact CB-CD2 4.17Å; Q903-F908 HydrophobicContact CG-CD2 4.08Å; Q903-F908 WeakPolarHBondContact O-CB 3.22Å; Q903-F908 PolarHBondContact O-N 3.2Å; Q903-Y909 HydrophobicContact CB-CD2 4.15Å; Q903-Y909 HydrophobicContact CB-CE2 3.74Å; Q903-Y909 HydrophobicContact CG-CE2 4.45Å |
| 904 | L | 92.7 | Very high | 86.9 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.1 | -37.2 | 169 | -70.4 | 172.7 | 0 | 0 | 0 | 112 | V862 F864 L875 T900 L901 L902 R907 Y909 P911 V920 | V862-L904 HydrophobicContact CG1-CD1 3.77Å; F864-L904 HydrophobicContact CB-CD1 4.32Å; F864-L904 HydrophobicContact CD2-CD2 3.92Å; F864-L904 HydrophobicContact CE2-CD2 4.14Å; F864-L904 HydrophobicContact CG-CD1 4.38Å; F864-L904 HydrophobicContact CG-CD2 4.48Å; L875-L904 HydrophobicContact CD1-CD1 3.69Å; T900-L904 WeakPolarHBondContact O-CG 3.46Å; T900-L904 PolarHBondContact O-N 3.33Å; L901-L904 PolarHBondContact O-N 3.41Å; L902-L904 VanDerWaalsContact C-N 3.32Å; L902-L904 PolarHBondContact O-N 3.14Å; L904-R907 WeakPolarHBondContact O-CA 3.3Å; L904-R907 PolarHBondContact O-N 3.27Å; L904-Y909 WeakPolarHBondContact CD2-O 3.49Å; L904-P911 HydrophobicContact CD2-CG 4.33Å; L904-V920 HydrophobicContact CB-CG2 4.37Å |
| 905 | V | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.5 | -38.4 | 174.4 | 169.2 | 0 | 0 | 0 | 0 | 112 | I857 F859 L901 L902 R907 V920 F922 I927 I939 L1022 V1024 L1054 | I857-V905 HydrophobicContact CG2-CG2 4.45Å; F859-V905 HydrophobicContact CE1-CG2 3.77Å; F859-V905 HydrophobicContact CZ-CG2 3.45Å; F859-V905 VanDerWaalsContact CZ-CG2 3.45Å; L901-V905 WeakPolarHBondContact O-CG2 3.33Å; L901-V905 PolarHBondContact O-N 3.17Å; L902-V905 WeakPolarHBondContact O-CB 3.41Å; L902-V905 PolarHBondContact O-N 3.49Å; V905-R907 PolarHBondContact O-N 3.42Å; V905-V920 HydrophobicContact CG2-CG1 4.37Å; V905-F922 HydrophobicContact CG1-CE1 4.11Å; V905-F922 HydrophobicContact CG1-CZ 3.84Å; V905-I927 WeakPolarHBondContact O-CD1 3.43Å; V905-I939 HydrophobicContact CG1-CD1 4.22Å; V905-I939 WeakPolarHBondContact O-CD1 3.41Å; V905-L1022 HydrophobicContact CG1-CD2 3.58Å; V905-V1024 HydrophobicContact CG1-CG2 4.44Å; V905-L1054 HydrophobicContact CG1-CD1 4.27Å; V905-L1054 HydrophobicContact CG2-CD1 4.1Å |
| 906 | L | 91.9 | Very high | 85.9 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -8 | 169.6 | -68.8 | 165.5 | 0 | 0 | 0 | 113.5 | L902 F908 R936 I939 L941 | L902-L906 WeakPolarHBondContact O-CG 3.39Å; L902-L906 PolarHBondContact O-N 3.35Å; L906-F908 HydrophobicContact CB-CD1 4.02Å; L906-F908 HydrophobicContact CB-CD2 4.48Å; L906-F908 HydrophobicContact CB-CE1 3.99Å; L906-F908 HydrophobicContact CB-CE2 4.45Å; L906-F908 HydrophobicContact CB-CG 4.28Å; L906-F908 HydrophobicContact CB-CZ 4.22Å; L906-F908 HydrophobicContact CD1-CD2 4.43Å; L906-F908 HydrophobicContact CD1-CE2 3.86Å; L906-F908 HydrophobicContact CD1-CZ 3.93Å; L906-F908 PolarHBondContact O-N 3.04Å; L906-R936 WeakPolarHBondContact O-CG 3.33Å; L906-R936 PolarHBondContact O-NE 3Å; L906-I939 HydrophobicContact CD2-CB 4.44Å; L906-I939 HydrophobicContact CD2-CD1 4.24Å; L906-I939 HydrophobicContact CD2-CG2 3.87Å; L906-L941 HydrophobicContact CD1-CD1 4.02Å; L906-L941 HydrophobicContact CD1-CD2 3.86Å; L906-L941 HydrophobicContact CD2-CD2 4.36Å |
| 907 | R | 92.2 | Very high | 85.6 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 55 | -172.5 | -158.2 | 176.4 | 174.6 | -158 | -7 | 112.5 | I841 Q903 L904 V905 D910 I927 R928 I930 R936 | I841-R907 HydrophobicContact CG2-CG 4.42Å; Q903-R907 PolarHBondContact O-N 3.38Å; L904-R907 WeakPolarHBondContact O-CA 3.3Å; L904-R907 PolarHBondContact O-N 3.27Å; V905-R907 PolarHBondContact O-N 3.42Å; R907-D910 WeakPolarHBondContact CG-OD1 3.49Å; R907-D910 IonicContact CZ-OD1 3.91Å; R907-D910 IonicContact CZ-OD2 2.74Å; R907-D910 IonicContact NE-OD1 3.99Å; R907-D910 PolarHBondContact NE-OD1 2.98Å; R907-D910 IonicContact NE-OD2 3.7Å; R907-D910 IonicContact NH2-OD1 2.82Å; R907-D910 PolarHBondContact NH2-OD1 3.05Å; R907-D910 IonicContact NH2-OD2 2.66Å; R907-D910 PolarHBondContact NH2-OD2 2.95Å; R907-I927 HydrophobicContact CB-CD1 4.25Å; R907-I927 PolarHBondContact NH1-O 3.42Å; R907-R928 VanDerWaalsContact CZ-CA 3.47Å; R907-R928 PolarHBondContact NH1-O 3.4Å; R907-R928 PolarHBondContact NH2-O 2.93Å; R907-R928 VanDerWaalsContact NH2-O 3.14Å; R907-I930 PolarHBondContact NH1-O 3.12Å; R907-R936 PolarHBondContact O-NH2 3.01Å |
| 908 | F | 91.3 | Very high | 85.5 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -80.4 | -26.1 | 165.1 | -70.2 | -9.6 | 0 | 0 | 0 | 111.8 | R77 V80 A81 V626 Q903 L906 | R77-F908 HydrophobicContact CB-CE2 4.25Å; R77-F908 HydrophobicContact CB-CZ 4.42Å; R77-F908 HydrophobicContact CG-CE2 4.47Å; R77-F908 WeakPolarHBondContact O-CZ 3.41Å; V80-F908 HydrophobicContact CG1-CD1 4.39Å; V80-F908 HydrophobicContact CG1-CE1 4.09Å; A81-F908 HydrophobicContact CB-CZ 4.19Å; V626-F908 HydrophobicContact CB-CB 4Å; V626-F908 HydrophobicContact CB-CG 4.28Å; V626-F908 HydrophobicContact CG2-CB 3.85Å; V626-F908 HydrophobicContact CG2-CD1 3.78Å; V626-F908 HydrophobicContact CG2-CD2 4.12Å; V626-F908 HydrophobicContact CG2-CE1 4.31Å; V626-F908 HydrophobicContact CG2-CG 3.66Å; Q903-F908 HydrophobicContact CB-CB 4.48Å; Q903-F908 HydrophobicContact CB-CD2 4.17Å; Q903-F908 HydrophobicContact CG-CD2 4.08Å; Q903-F908 WeakPolarHBondContact O-CB 3.22Å; Q903-F908 PolarHBondContact O-N 3.2Å; L906-F908 HydrophobicContact CB-CD1 4.02Å; L906-F908 HydrophobicContact CB-CD2 4.48Å; L906-F908 HydrophobicContact CB-CE1 3.99Å; L906-F908 HydrophobicContact CB-CE2 4.45Å; L906-F908 HydrophobicContact CB-CG 4.28Å; L906-F908 HydrophobicContact CB-CZ 4.22Å; L906-F908 HydrophobicContact CD1-CD2 4.43Å; L906-F908 HydrophobicContact CD1-CE2 3.86Å; L906-F908 HydrophobicContact CD1-CZ 3.93Å; L906-F908 PolarHBondContact O-N 3.04Å |
| 909 | Y | 91.3 | Very high | 85.5 | Confident | 12 Ų | 12 | 33.6 Ų | 33.6 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -138.8 | 160.3 | 173.1 | -33.5 | -84 | 0 | 0 | 0 | 109.3 | V626 D630 F864 Y866 Q903 L904 | V626-Y909 HydrophobicContact CB-CE1 4.34Å; V626-Y909 HydrophobicContact CG1-CE1 4.4Å; D630-Y909 WeakPolarHBondContact OD2-CE1 3.44Å; D630-Y909 PolarHBondContact OD2-OH 3.22Å; F864-Y909 HydrophobicContact CE2-CD2 4.43Å; F864-Y909 HydrophobicContact CE2-CG 4.03Å; F864-Y909 HydrophobicContact CZ-CD1 4.25Å; F864-Y909 AromaticContact CZ-CD2 3.87Å; F864-Y909 HydrophobicContact CZ-CD2 3.87Å; F864-Y909 AromaticContact CZ-CG 3.67Å; F864-Y909 HydrophobicContact CZ-CG 3.67Å; Y866-Y909 HydrophobicContact CD1-CE1 4.33Å; Y866-Y909 HydrophobicContact CD1-CE2 4.44Å; Y866-Y909 HydrophobicContact CE1-CD2 4.43Å; Y866-Y909 HydrophobicContact CE1-CE1 4.34Å; Y866-Y909 AromaticContact CE1-CE2 3.71Å; Y866-Y909 HydrophobicContact CE1-CE2 3.71Å; Y866-Y909 AromaticContact CE1-CZ 3.68Å; Q903-Y909 HydrophobicContact CB-CD2 4.15Å; Q903-Y909 HydrophobicContact CB-CE2 3.74Å; Q903-Y909 HydrophobicContact CG-CE2 4.45Å; L904-Y909 WeakPolarHBondContact CD2-O 3.49Å |
| 910 | D | 88.7 | Confident | 85.6 | Confident | 31 Ų | 31 | 32.2 Ų | 32.2 | 17% | 0.166 | 18% | 0.175 | C | C | . | . | trans | -104.4 | 150.1 | 168.3 | -77.7 | -5.5 | 0 | 0 | 0 | 108.7 | I841 R907 R928 | I841-D910 HydrophobicContact CD1-CB 4.48Å; R907-D910 WeakPolarHBondContact CG-OD1 3.49Å; R907-D910 IonicContact CZ-OD1 3.91Å; R907-D910 IonicContact CZ-OD2 2.74Å; R907-D910 IonicContact NE-OD1 3.99Å; R907-D910 PolarHBondContact NE-OD1 2.98Å; R907-D910 IonicContact NE-OD2 3.7Å; R907-D910 IonicContact NH2-OD1 2.82Å; R907-D910 PolarHBondContact NH2-OD1 3.05Å; R907-D910 IonicContact NH2-OD2 2.66Å; R907-D910 PolarHBondContact NH2-OD2 2.95Å; D910-R928 IonicContact OD2-NE 2.71Å | ||
| 911 | P | 86.9 | Confident | 85.7 | Confident | 15 Ų | 15 | 32.4 Ų | 32.4 | 10% | 0.097 | 18% | 0.175 | C | C | . | . | trans | -61.1 | 159.6 | 176.2 | -26.5 | 37 | 0 | 0 | 0 | 114.8 | V862 L904 H914 | V862-P911 HydrophobicContact CG1-CB 4.29Å; V862-P911 HydrophobicContact CG1-CG 4.18Å; L904-P911 HydrophobicContact CD2-CG 4.33Å; P911-H914 PolarHBondContact O-CE1 2.95Å | ||
| 912 | L | 81.2 | Confident | 85.6 | Confident | 71 Ų | 71 | 32.5 Ų | 32.5 | 37% | 0.372 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -62.8 | -44.7 | -176.8 | -82.8 | 171.5 | 0 | 0 | 0 | 113.9 | D863 K865 | D863-L912 HydrophobicContact CB-CB 4.25Å; D863-L912 HydrophobicContact CB-CD1 4.26Å; D863-L912 PolarHBondContact O-N 3.25Å; K865-L912 HydrophobicContact CB-CD1 3.85Å; K865-L912 HydrophobicContact CB-CD2 4.32Å; K865-L912 HydrophobicContact CB-CG 4.33Å |
| 913 | Y | 75.1 | Confident | 85.4 | Confident | 109 Ų | 109 | 34.2 Ų | 34.2 | 43% | 0.427 | 19% | 0.185 | S | C | . | . | trans | -98.7 | 155 | -176.9 | -62.4 | -56 | 0 | 0 | 0 | 111.4 | D863 R873 | D863-Y913 HydrophobicContact CB-CD2 3.68Å; D863-Y913 HydrophobicContact CB-CE2 3.81Å; D863-Y913 WeakPolarHBondContact OD2-CD2 3.41Å; D863-Y913 WeakPolarHBondContact OD2-CE2 3.34Å; R873-Y913 PolarHBondContact NH1-OH 3.43Å; R873-Y913 PolarHBondContact NH2-OH 3.47Å; R873-Y913 VanDerWaalsContact NH2-OH 3.12Å | ||
| 914 | H | 68.7 | Low | 85.1 | Confident | 113 Ų | 113 | 37.5 Ų | 37.5 | 52% | 0.523 | 20% | 0.203 | S | C | . | . | trans | -134.1 | 52.8 | -166.5 | -60.9 | -21.4 | 0 | 0 | 0 | 111.7 | P911 R928 | P911-H914 PolarHBondContact O-CE1 2.95Å; H914-R928 PolarHBondContact CD2-NH1 2.99Å; H914-R928 PolarHBondContact CD2-NH2 2.65Å; H914-R928 PolarHBondContact CE1-NH2 2.85Å; H914-R928 VanDerWaalsContact CE1-NH2 3.33Å; H914-R928 PolarHBondContact NE2-NH2 3.45Å | ||
| 915 | G | 67.1 | Low | 84.9 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | trans | -84.1 | 162.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D917 N918 | G915-D917 PolarHBondContact O-N 3.23Å; G915-N918 PolarHBondContact O-N 3.11Å | ||
| 916 | S | 69.2 | Low | 84.7 | Confident | 101 Ų | 101 | 41.8 Ų | 41.8 | 71% | 0.706 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -39.1 | 171.2 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | F921 | S916-F921 WeakPolarHBondContact O-CZ 3.44Š|
| 917 | D | 76.6 | Confident | 84.6 | Confident | 80 Ų | 80 | 41.6 Ų | 41.6 | 43% | 0.428 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 6.2 | -178 | -79.7 | -78.3 | 0 | 0 | 0 | 114.3 | K860 G915 | K860-D917 WeakPolarHBondContact CB-O 3.37Å; K860-D917 HydrophobicContact CD-CB 4.37Å; K860-D917 WeakPolarHBondContact CD-O 3.42Å; K860-D917 IonicContact NZ-OD1 3.9Å; K860-D917 PolarHBondContact NZ-OD1 2.9Å; G915-D917 PolarHBondContact O-N 3.23Å |
| 918 | N | 84.8 | Confident | 84.3 | Confident | 46 Ų | 46 | 46 Ų | 46 | 25% | 0.246 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -111.5 | 123.8 | 178.8 | -65.8 | 6.3 | 0 | 0 | 0 | 110.1 | K860 N861 G915 | K860-N918 WeakPolarHBondContact O-CA 3.4Å; N861-N918 HydrophobicContact CB-CB 4.37Å; N861-N918 WeakPolarHBondContact CB-OD1 3.34Å; N861-N918 PolarHBondContact ND2-OD1 3.32Å; N861-N918 VanDerWaalsContact ND2-OD1 3.09Å; G915-N918 PolarHBondContact O-N 3.11Å |
| 919 | G | 88.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.3 | -160.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | K860 V862 | K860-G919 PolarHBondContact N-O 3.41Å; K860-G919 PolarHBondContact O-N 3.42Å; V862-G919 WeakPolarHBondContact CG2-O 3.39Å |
| 920 | V | 91.6 | Very high | 84 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.3 | 175 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | I857 S858 F859 V862 L904 V905 F922 I927 | I857-V920 HydrophobicContact CG2-CG1 4.14Å; S858-V920 CarbonylContact O-C 3.55Å; S858-V920 WeakPolarHBondContact O-CA 3.32Å; F859-V920 HydrophobicContact CD1-CG1 4.29Å; F859-V920 HydrophobicContact CD1-CG2 3.75Å; F859-V920 HydrophobicContact CE1-CG1 4.25Å; F859-V920 HydrophobicContact CE1-CG2 4.06Å; V862-V920 HydrophobicContact CG2-CG2 4.32Å; L904-V920 HydrophobicContact CB-CG2 4.37Å; V905-V920 HydrophobicContact CG2-CG1 4.37Å; V920-F922 HydrophobicContact CG1-CE1 4.35Å; V920-I927 HydrophobicContact CB-CG2 3.99Å; V920-I927 HydrophobicContact CG1-CD1 4.49Å; V920-I927 WeakPolarHBondContact O-CB 3.46Å; V920-I927 WeakPolarHBondContact O-CG2 3.49Å; V920-I927 PolarHBondContact O-N 3.43Å |
| 921 | F | 92 | Very high | 84.1 | Confident | 12 Ų | 12 | 48 Ų | 48 | 5% | 0.053 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134 | -174.8 | -60.1 | -108.9 | 0 | 0 | 0 | 109.9 | I857 S858 K860 S916 I925 N926 | I857-F921 CarbonylContact C-O 3.51Å; I857-F921 WeakPolarHBondContact CA-O 3.49Å; S858-F921 PolarHBondContact N-O 3.1Å; S858-F921 PolarHBondContact O-N 2.95Å; K860-F921 HydrophobicContact CB-CE2 4.06Å; K860-F921 HydrophobicContact CD-CD2 4.27Å; K860-F921 HydrophobicContact CD-CE2 3.76Å; K860-F921 HydrophobicContact CD-CZ 4.12Å; K860-F921 HydrophobicContact CG-CD2 4.21Å; K860-F921 HydrophobicContact CG-CE2 3.97Å; S916-F921 WeakPolarHBondContact O-CZ 3.44Å; F921-I925 CarbonylContact C-O 3.6Å; F921-I925 VanDerWaalsContact CA-O 3.26Å; F921-I925 WeakPolarHBondContact CA-O 3.47Å; F921-N926 HydrophobicContact CD1-CB 3.81Å; F921-N926 HydrophobicContact CE1-CB 3.68Å; F921-N926 HydrophobicContact CZ-CB 4.27Å |
| 922 | F | 90.8 | Very high | 84.2 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.9 | 174.7 | -86.3 | 38.5 | 0 | 0 | 0 | 107.5 | F853 K856 I857 V905 V920 D924 I925 I927 I930 V935 I939 L1022 | F853-F922 HydrophobicContact CD2-CB 4.26Å; F853-F922 HydrophobicContact CD2-CD2 4.12Å; F853-F922 AromaticContact CE1-CD2 3.99Å; F853-F922 HydrophobicContact CE1-CD2 3.99Å; F853-F922 HydrophobicContact CE1-CE2 4.12Å; F853-F922 HydrophobicContact CE2-CB 3.62Å; F853-F922 AromaticContact CE2-CD2 3.56Å; F853-F922 HydrophobicContact CE2-CD2 3.56Å; F853-F922 HydrophobicContact CE2-CE2 4.44Å; F853-F922 AromaticContact CE2-CG 3.76Å; F853-F922 HydrophobicContact CE2-CG 3.76Å; F853-F922 HydrophobicContact CZ-CB 4.25Å; F853-F922 AromaticContact CZ-CD2 3.46Å; F853-F922 HydrophobicContact CZ-CD2 3.46Å; F853-F922 VanDerWaalsContact CZ-CD2 3.46Å; F853-F922 AromaticContact CZ-CE2 3.91Å; F853-F922 HydrophobicContact CZ-CE2 3.91Å; F853-F922 AromaticContact CZ-CG 3.87Å; F853-F922 HydrophobicContact CZ-CG 3.87Å; K856-F922 WeakPolarHBondContact O-CA 3.26Å; I857-F922 HydrophobicContact CG1-CE1 4.45Å; I857-F922 HydrophobicContact CG2-CE1 4.37Å; V905-F922 HydrophobicContact CG1-CE1 4.11Å; V905-F922 HydrophobicContact CG1-CZ 3.84Å; V920-F922 HydrophobicContact CG1-CE1 4.35Å; F922-D924 PolarHBondContact O-N 3.36Å; F922-I925 PolarHBondContact N-O 2.66Å; F922-I925 PolarHBondContact O-N 3.11Å; F922-I927 HydrophobicContact CD1-CD1 3.93Å; F922-I927 HydrophobicContact CD1-CG1 4.23Å; F922-I927 HydrophobicContact CE1-CD1 3.48Å; F922-I927 VanDerWaalsContact CE1-CD1 3.48Å; F922-I927 HydrophobicContact CE1-CG1 4.26Å; F922-I927 HydrophobicContact CZ-CD1 3.89Å; F922-I930 HydrophobicContact CB-CD1 4.1Å; F922-V935 HydrophobicContact CE2-CG1 3.91Å; F922-V935 HydrophobicContact CZ-CG1 4.04Å; F922-I939 HydrophobicContact CE2-CD1 4.23Å; F922-I939 HydrophobicContact CZ-CD1 4.04Å; F922-L1022 HydrophobicContact CZ-CD2 4.38Å |
| 923 | D | 88.9 | Confident | 84.5 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 20% | 0.198 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 48.1 | -172 | -63.1 | -18.6 | 0 | 0 | 0 | 112.3 | F853 K854 G855 K856 I925 | F853-D923 WeakPolarHBondContact CA-OD2 3.27Å; F853-D923 HydrophobicContact CD2-CB 4.43Å; F853-D923 WeakPolarHBondContact CD2-OD2 3.49Å; K854-D923 PolarHBondContact N-OD2 2.9Å; G855-D923 PolarHBondContact N-OD1 3.47Å; K856-D923 VanDerWaalsContact CB-OD1 3.3Å; K856-D923 WeakPolarHBondContact CB-OD1 3.45Å; K856-D923 PolarHBondContact N-OD1 2.66Å; K856-D923 PolarHBondContact O-N 2.88Å; D923-I925 PolarHBondContact O-N 3.37Å; D923-I925 VanDerWaalsContact O-N 3.1Å |
| 924 | D | 85.8 | Confident | 85.3 | Confident | 94 Ų | 94 | 42.1 Ų | 42.1 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 0.4 | -178.1 | -56.3 | -54.9 | 0 | 0 | 0 | 116.6 | K856 F922 | K856-D924 IonicContact NZ-OD1 3.65Å; K856-D924 PolarHBondContact NZ-OD1 3.15Å; K856-D924 IonicContact NZ-OD2 2.76Å; K856-D924 PolarHBondContact NZ-OD2 3.17Å; F922-D924 PolarHBondContact O-N 3.36Å |
| 925 | I | 87.7 | Confident | 86.3 | Confident | 66 Ų | 66 | 36.8 Ų | 36.8 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.9 | 170.1 | -54.9 | 175.1 | 0 | 0 | 0 | 109.6 | P849 F921 F922 D923 I927 I930 | P849-I925 HydrophobicContact CG-CD1 4.32Å; F921-I925 CarbonylContact C-O 3.6Å; F921-I925 VanDerWaalsContact CA-O 3.26Å; F921-I925 WeakPolarHBondContact CA-O 3.47Å; F922-I925 PolarHBondContact N-O 2.66Å; F922-I925 PolarHBondContact O-N 3.11Å; D923-I925 PolarHBondContact O-N 3.37Å; D923-I925 VanDerWaalsContact O-N 3.1Å; I925-I927 PolarHBondContact O-N 3.14Å; I925-I930 HydrophobicContact CB-CD1 4.11Å; I925-I930 HydrophobicContact CB-CG1 4.48Å; I925-I930 HydrophobicContact CG2-CD1 3.87Å; I925-I930 HydrophobicContact CG2-CG1 3.69Å |
| 926 | N | 88.7 | Confident | 87.5 | Confident | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.134 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 124.9 | 177 | -169.8 | -51.4 | 0 | 0 | 0 | 110.7 | F921 R928 N929 | F921-N926 HydrophobicContact CD1-CB 3.81Å; F921-N926 HydrophobicContact CE1-CB 3.68Å; F921-N926 HydrophobicContact CZ-CB 4.27Å; N926-R928 PolarHBondContact O-N 3.09Å; N926-R928 WeakPolarHBondContact OD1-CB 3.34Å; N926-R928 PolarHBondContact OD1-N 3.08Å; N926-N929 PolarHBondContact O-N 3.48Å |
| 927 | I | 89.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25 | -174.9 | -152.2 | 175.4 | 0 | 0 | 0 | 112.7 | V905 R907 V920 F922 I925 N929 I930 V935 | V905-I927 WeakPolarHBondContact O-CD1 3.43Å; R907-I927 HydrophobicContact CB-CD1 4.25Å; R907-I927 PolarHBondContact NH1-O 3.42Å; V920-I927 HydrophobicContact CB-CG2 3.99Å; V920-I927 HydrophobicContact CG1-CD1 4.49Å; V920-I927 WeakPolarHBondContact O-CB 3.46Å; V920-I927 WeakPolarHBondContact O-CG2 3.49Å; V920-I927 PolarHBondContact O-N 3.43Å; F922-I927 HydrophobicContact CD1-CD1 3.93Å; F922-I927 HydrophobicContact CD1-CG1 4.23Å; F922-I927 HydrophobicContact CE1-CD1 3.48Å; F922-I927 VanDerWaalsContact CE1-CD1 3.48Å; F922-I927 HydrophobicContact CE1-CG1 4.26Å; F922-I927 HydrophobicContact CZ-CD1 3.89Å; I925-I927 PolarHBondContact O-N 3.14Å; I927-N929 VanDerWaalsContact C-N 3.27Å; I927-N929 PolarHBondContact O-N 2.83Å; I927-I930 PolarHBondContact O-N 3.17Å; I927-V935 HydrophobicContact CD1-CG1 3.84Å; I927-V935 HydrophobicContact CG1-CG1 4.1Å; I927-V935 HydrophobicContact CG1-CG2 3.87Å |
| 928 | R | 86.3 | Confident | 89.2 | Confident | 105 Ų | 105 | 34 Ų | 34 | 40% | 0.396 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -36.2 | 177.7 | -164.2 | -178.8 | -162.2 | -174 | 10.3 | 112.8 | R907 D910 H914 N926 | R907-R928 VanDerWaalsContact CZ-CA 3.47Å; R907-R928 PolarHBondContact NH1-O 3.4Å; R907-R928 PolarHBondContact NH2-O 2.93Å; R907-R928 VanDerWaalsContact NH2-O 3.14Å; D910-R928 IonicContact OD2-NE 2.71Å; H914-R928 PolarHBondContact CD2-NH1 2.99Å; H914-R928 PolarHBondContact CD2-NH2 2.65Å; H914-R928 PolarHBondContact CE1-NH2 2.85Å; H914-R928 VanDerWaalsContact CE1-NH2 3.33Å; H914-R928 PolarHBondContact NE2-NH2 3.45Å; N926-R928 PolarHBondContact O-N 3.09Å; N926-R928 WeakPolarHBondContact OD1-CB 3.34Å; N926-R928 PolarHBondContact OD1-N 3.08Å |
| 929 | N | 87.4 | Confident | 89.5 | Confident | 91 Ų | 91 | 32 Ų | 32 | 49% | 0.487 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -16.5 | -176.1 | -63.5 | -10.1 | 0 | 0 | 0 | 112.2 | G846 I847 N926 I927 | G846-N929 CarbonylContact C-O 3.6Å; G846-N929 VanDerWaalsContact CA-O 3.31Å; G846-N929 WeakPolarHBondContact CA-O 3.3Å; I847-N929 HydrophobicContact CD1-CB 4.37Å; I847-N929 PolarHBondContact N-O 2.98Å; N926-N929 PolarHBondContact O-N 3.48Å; I927-N929 VanDerWaalsContact C-N 3.27Å; I927-N929 PolarHBondContact O-N 2.83Å |
| 930 | I | 89.2 | Confident | 89.7 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -85.8 | 144.9 | 179.3 | -50.1 | 177.6 | 0 | 0 | 0 | 109.7 | I847 P849 R907 F922 I925 I927 P932 W934 V935 | I847-I930 CarbonylContact O-C 3.56Å; I847-I930 WeakPolarHBondContact O-CA 3.39Å; I847-I930 WeakPolarHBondContact O-CG2 3.31Å; P849-I930 HydrophobicContact CG-CG2 4.38Å; R907-I930 PolarHBondContact NH1-O 3.12Å; F922-I930 HydrophobicContact CB-CD1 4.1Å; I925-I930 HydrophobicContact CB-CD1 4.11Å; I925-I930 HydrophobicContact CB-CG1 4.48Å; I925-I930 HydrophobicContact CG2-CD1 3.87Å; I925-I930 HydrophobicContact CG2-CG1 3.69Å; I927-I930 PolarHBondContact O-N 3.17Å; I930-P932 WeakPolarHBondContact O-CD 3.41Å; I930-W934 HydrophobicContact CD1-CZ3 4.4Å; I930-W934 HydrophobicContact CG2-CD2 4.26Å; I930-W934 HydrophobicContact CG2-CE3 3.53Å; I930-W934 HydrophobicContact CG2-CZ3 4.07Å; I930-V935 HydrophobicContact CB-CG2 3.89Å; I930-V935 HydrophobicContact CG2-CG2 3.62Å |
| 931 | A | 89.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | trans | -63.8 | 125.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | I847 V848 S933 W934 V935 | I847-A931 PolarHBondContact O-N 3.23Å; V848-A931 HydrophobicContact CG2-CB 3.98Å; A931-S933 PolarHBondContact O-N 3.39Å; A931-S933 VanDerWaalsContact O-N 3.15Å; A931-W934 PolarHBondContact O-N 3.09Å; A931-V935 PolarHBondContact O-N 2.75Å; A931-V935 VanDerWaalsContact O-N 3.15Å | ||
| 932 | P | 89.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.3 | -33.9 | -179.9 | -26.9 | 33.3 | 0 | 0 | 0 | 114.1 | I841 S842 T843 I930 W934 V935 R936 | I841-P932 HydrophobicContact CG2-CB 4.46Å; I841-P932 HydrophobicContact CG2-CG 3.69Å; S842-P932 WeakPolarHBondContact O-CD 3.37Å; T843-P932 WeakPolarHBondContact O-CD 3.26Å; I930-P932 WeakPolarHBondContact O-CD 3.41Å; P932-W934 VanDerWaalsContact C-N 3.29Å; P932-W934 PolarHBondContact O-N 2.96Å; P932-V935 PolarHBondContact O-N 2.9Å; P932-R936 WeakPolarHBondContact O-CG 3.21Å; P932-R936 PolarHBondContact O-N 2.95Å |
| 933 | S | 88 | Confident | 89.8 | Confident | 40 Ų | 40 | 33.5 Ų | 33.5 | 28% | 0.28 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.3 | -18.2 | 176 | 61.4 | 0 | 0 | 0 | 0 | 114.7 | T843 N844 A931 K937 | T843-S933 WeakPolarHBondContact O-CB 3.18Å; T843-S933 PolarHBondContact O-N 3.39Å; T843-S933 PolarHBondContact O-OG 3.22Å; N844-S933 WeakPolarHBondContact OD1-CB 3.31Å; N844-S933 PolarHBondContact OD1-OG 3.41Å; A931-S933 PolarHBondContact O-N 3.39Å; A931-S933 VanDerWaalsContact O-N 3.15Å; S933-K937 WeakPolarHBondContact O-CD 3.14Å; S933-K937 VanDerWaalsContact O-CG 3.25Å; S933-K937 WeakPolarHBondContact O-CG 3.38Å |
| 934 | W | 90.7 | Very high | 89.6 | Confident | 32 Ų | 32 | 36 Ų | 36 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -86.5 | -42.5 | 167.6 | -178.1 | 98.8 | 0 | 0 | 0 | 111.2 | V848 P849 F853 I930 A931 P932 R936 K937 Q938 | V848-W934 HydrophobicContact CG1-CB 4.4Å; V848-W934 HydrophobicContact CG1-CG 4.19Å; P849-W934 HydrophobicContact CB-CH2 4.06Å; P849-W934 HydrophobicContact CB-CZ2 3.71Å; P849-W934 HydrophobicContact CG-CD2 4.4Å; P849-W934 HydrophobicContact CG-CE3 4.39Å; P849-W934 HydrophobicContact CG-CH2 3.86Å; P849-W934 HydrophobicContact CG-CZ2 3.88Å; P849-W934 HydrophobicContact CG-CZ3 4.14Å; P849-W934 PolarHBondContact O-NE1 3.27Å; F853-W934 HydrophobicContact CB-CH2 3.88Å; F853-W934 HydrophobicContact CB-CZ2 4.38Å; F853-W934 HydrophobicContact CG-CH2 4.46Å; I930-W934 HydrophobicContact CD1-CZ3 4.4Å; I930-W934 HydrophobicContact CG2-CD2 4.26Å; I930-W934 HydrophobicContact CG2-CE3 3.53Å; I930-W934 HydrophobicContact CG2-CZ3 4.07Å; A931-W934 PolarHBondContact O-N 3.09Å; P932-W934 VanDerWaalsContact C-N 3.29Å; P932-W934 PolarHBondContact O-N 2.96Å; W934-R936 PolarHBondContact O-N 3.42Å; W934-K937 WeakPolarHBondContact O-CB 3.14Å; W934-K937 PolarHBondContact O-N 3.33Å; W934-K937 VanDerWaalsContact O-N 3.09Å; W934-Q938 HydrophobicContact CD2-CG 4.46Å; W934-Q938 HydrophobicContact CE3-CG 4.27Å; W934-Q938 HydrophobicContact CH2-CG 4.24Å; W934-Q938 HydrophobicContact CZ2-CG 4.4Å; W934-Q938 HydrophobicContact CZ3-CG 4.16Å; W934-Q938 PolarHBondContact O-N 3.36Å |
| 935 | V | 91.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.7 | -56.8 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 109.9 | F922 I927 I930 A931 P932 K937 Q938 I939 | F922-V935 HydrophobicContact CE2-CG1 3.91Å; F922-V935 HydrophobicContact CZ-CG1 4.04Å; I927-V935 HydrophobicContact CD1-CG1 3.84Å; I927-V935 HydrophobicContact CG1-CG1 4.1Å; I927-V935 HydrophobicContact CG1-CG2 3.87Å; I930-V935 HydrophobicContact CB-CG2 3.89Å; I930-V935 HydrophobicContact CG2-CG2 3.62Å; A931-V935 PolarHBondContact O-N 2.75Å; A931-V935 VanDerWaalsContact O-N 3.15Å; P932-V935 PolarHBondContact O-N 2.9Å; V935-K937 PolarHBondContact O-N 3.48Å; V935-K937 VanDerWaalsContact O-N 3.16Å; V935-Q938 PolarHBondContact O-N 3.32Å; V935-I939 HydrophobicContact CG1-CD1 3.99Å; V935-I939 WeakPolarHBondContact O-CG1 3.29Å |
| 936 | R | 91.7 | Very high | 89.4 | Confident | 17 Ų | 17 | 37 Ų | 37 | 6% | 0.064 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.8 | -177.8 | -61.8 | 180 | -158.9 | 141 | 2.7 | 113.6 | V80 L906 R907 P932 W934 R1018 | V80-R936 WeakPolarHBondContact O-CD 3.29Å; V80-R936 PolarHBondContact O-NH1 2.89Å; L906-R936 WeakPolarHBondContact O-CG 3.33Å; L906-R936 PolarHBondContact O-NE 3Å; R907-R936 PolarHBondContact O-NH2 3.01Å; P932-R936 WeakPolarHBondContact O-CG 3.21Å; P932-R936 PolarHBondContact O-N 2.95Å; W934-R936 PolarHBondContact O-N 3.42Å; R936-R1018 PolarHBondContact O-NH1 3.5Å |
| 937 | K | 90 | Very high | 89.3 | Confident | 99 Ų | 99 | 38.4 Ų | 38.4 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -21.9 | 171.6 | -87.3 | -177.6 | 177.9 | -158.2 | 0 | 113.8 | S933 W934 V935 S963 R1018 | S933-K937 WeakPolarHBondContact O-CD 3.14Å; S933-K937 VanDerWaalsContact O-CG 3.25Å; S933-K937 WeakPolarHBondContact O-CG 3.38Å; W934-K937 WeakPolarHBondContact O-CB 3.14Å; W934-K937 PolarHBondContact O-N 3.33Å; W934-K937 VanDerWaalsContact O-N 3.09Å; V935-K937 PolarHBondContact O-N 3.48Å; V935-K937 VanDerWaalsContact O-N 3.16Å; K937-S963 VanDerWaalsContact NZ-CB 3.31Å; K937-R1018 VanDerWaalsContact O-CZ 3.25Å; K937-R1018 PolarHBondContact O-NE 3.43Å; K937-R1018 PolarHBondContact O-NH1 2.8Å |
| 938 | Q | 90.8 | Very high | 89.4 | Confident | 40 Ų | 40 | 39.8 Ų | 39.8 | 19% | 0.187 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -87.1 | -10.3 | 177.1 | -49 | -52.7 | -28.3 | 0 | 0 | 113.7 | F853 W934 V935 P1020 V1021 L1022 | F853-Q938 HydrophobicContact CB-CB 4.43Å; F853-Q938 HydrophobicContact CB-CG 3.94Å; F853-Q938 HydrophobicContact CD1-CB 3.8Å; F853-Q938 HydrophobicContact CD1-CG 4.19Å; F853-Q938 HydrophobicContact CG-CB 4.44Å; F853-Q938 HydrophobicContact CG-CG 4.33Å; W934-Q938 HydrophobicContact CD2-CG 4.46Å; W934-Q938 HydrophobicContact CE3-CG 4.27Å; W934-Q938 HydrophobicContact CH2-CG 4.24Å; W934-Q938 HydrophobicContact CZ2-CG 4.4Å; W934-Q938 HydrophobicContact CZ3-CG 4.16Å; W934-Q938 PolarHBondContact O-N 3.36Å; V935-Q938 PolarHBondContact O-N 3.32Å; Q938-P1020 WeakPolarHBondContact O-CB 3.35Å; Q938-V1021 PolarHBondContact O-N 3.31Å; Q938-V1021 VanDerWaalsContact O-N 3.16Å; Q938-L1022 PolarHBondContact O-N 2.91Å |
| 939 | I | 92.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.7 | -167.2 | -50.1 | 173.7 | 0 | 0 | 0 | 111.5 | V905 L906 F922 V935 R1018 L1022 V1024 | V905-I939 HydrophobicContact CG1-CD1 4.22Å; V905-I939 WeakPolarHBondContact O-CD1 3.41Å; L906-I939 HydrophobicContact CD2-CB 4.44Å; L906-I939 HydrophobicContact CD2-CD1 4.24Å; L906-I939 HydrophobicContact CD2-CG2 3.87Å; F922-I939 HydrophobicContact CE2-CD1 4.23Å; F922-I939 HydrophobicContact CZ-CD1 4.04Å; V935-I939 HydrophobicContact CG1-CD1 3.99Å; V935-I939 WeakPolarHBondContact O-CG1 3.29Å; I939-R1018 PolarHBondContact O-NH1 2.94Å; I939-L1022 CarbonylContact C-O 3.51Å; I939-L1022 WeakPolarHBondContact CA-O 3.03Å; I939-L1022 HydrophobicContact CD1-CD2 4.31Å; I939-L1022 HydrophobicContact CG1-CB 4.46Å; I939-L1022 HydrophobicContact CG1-CD2 4.02Å; I939-L1022 HydrophobicContact CG2-CD2 4.34Å; I939-L1022 HydrophobicContact CG2-CG 4.46Å; I939-V1024 HydrophobicContact CG2-CB 4.05Å; I939-V1024 HydrophobicContact CG2-CG2 3.55Å |
| 940 | G | 92.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P1020 L1022 V1024 | G940-P1020 VanDerWaalsContact N-CB 3.33Å; G940-L1022 PolarHBondContact N-O 3.07Å; G940-V1024 PolarHBondContact O-N 3.38Å |
| 941 | L | 93.3 | Very high | 89.5 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.6 | 179.7 | 176.5 | 60.4 | 0 | 0 | 0 | 111 | A81 L906 V1024 | A81-L941 HydrophobicContact CB-CD2 3.7Å; L906-L941 HydrophobicContact CD1-CD1 4.02Å; L906-L941 HydrophobicContact CD1-CD2 3.86Å; L906-L941 HydrophobicContact CD2-CD2 4.36Å; L941-V1024 HydrophobicContact CD1-CB 4.23Å; L941-V1024 HydrophobicContact CD1-CG1 3.73Å |
| 942 | V | 92.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.5 | 164.9 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | Q1008 A1011 I1012 A1015 V1024 L1025 D1026 A1028 | V942-Q1008 HydrophobicContact CG1-CG 4.33Å; V942-A1011 HydrophobicContact CG1-CB 4.48Å; V942-I1012 HydrophobicContact CG1-CG1 4.13Å; V942-I1012 HydrophobicContact CG2-CG1 4.01Å; V942-A1015 HydrophobicContact CG2-CB 4Å; V942-V1024 PolarHBondContact N-O 2.96Å; V942-L1025 HydrophobicContact CB-CD2 3.66Å; V942-L1025 HydrophobicContact CG2-CD2 3.7Å; V942-D1026 PolarHBondContact O-N 3.08Å; V942-A1028 HydrophobicContact CG1-CB 3.94Å |
| 943 | S | 89.3 | Confident | 89.8 | Confident | 34 Ų | 34 | 34.4 Ų | 34.4 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | trans | -92.5 | 159.4 | -178.5 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | E945 Q1008 D1026 | S943-E945 PolarHBondContact O-N 3.31Å; S943-Q1008 PolarHBondContact O-NE2 3.22Å; S943-Q1008 PolarHBondContact O-OE1 2.74Å; S943-D1026 CarbonylContact C-O 3.5Å | ||
| 944 | Q | 85.6 | Confident | 90.1 | Very high | 89 Ų | 89 | 36.4 Ų | 36.4 | 42% | 0.416 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -48 | -57.6 | 170.6 | 173.4 | 160.3 | 64.7 | 0 | 0 | 112.2 | P946 D1026 E1027 S1030 | Q944-P946 WeakPolarHBondContact O-CD 3.16Å; Q944-D1026 VanDerWaalsContact CA-O 3.29Å; Q944-D1026 WeakPolarHBondContact CA-O 3.47Å; Q944-D1026 WeakPolarHBondContact CB-O 3.35Å; Q944-D1026 PolarHBondContact N-O 2.96Å; Q944-E1027 HydrophobicContact CB-CB 4.38Å; Q944-E1027 PolarHBondContact NE2-OE2 3.38Å; Q944-S1030 WeakPolarHBondContact CG-OG 3.37Å; Q944-S1030 PolarHBondContact NE2-OG 3.22Å |
| 945 | E | 83.3 | Confident | 90.2 | Very high | 160 Ų | 160 | 37.7 Ų | 37.7 | 75% | 0.748 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -102.4 | 110.2 | 170.9 | -67 | -161.7 | 151.1 | 0 | 0 | 111.1 | S943 T947 | S943-E945 PolarHBondContact O-N 3.31Å; E945-T947 PolarHBondContact O-N 3.36Å; E945-T947 VanDerWaalsContact O-N 3.16Å |
| 946 | P | 86 | Confident | 90.4 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 14% | 0.143 | 18% | 0.184 | C | C | . | . | trans | -76.7 | 101.5 | 179.4 | 28.6 | -35.2 | 0 | 0 | 0 | 111.9 | Q944 L948 K1007 Q1008 A1011 | Q944-P946 WeakPolarHBondContact O-CD 3.16Å; P946-L948 PolarHBondContact O-N 2.85Å; P946-K1007 HydrophobicContact CB-CB 4.46Å; P946-K1007 HydrophobicContact CG-CB 3.68Å; P946-Q1008 HydrophobicContact CG-CB 4.34Å; P946-A1011 HydrophobicContact CB-CB 3.62Å | ||
| 947 | T | 87.1 | Confident | 90.5 | Very high | 54 Ų | 54 | 36.9 Ų | 36.9 | 33% | 0.331 | 18% | 0.181 | S | C | . | . | trans | -67 | 128.4 | 169.8 | 57.4 | 0 | 0 | 0 | 0 | 110.7 | T78 E945 R1014 | T78-T947 WeakPolarHBondContact CB-OG1 3.49Å; T78-T947 PolarHBondContact OG1-OG1 2.85Å; E945-T947 PolarHBondContact O-N 3.36Å; E945-T947 VanDerWaalsContact O-N 3.16Å; T947-R1014 VanDerWaalsContact O-CZ 3.3Å; T947-R1014 PolarHBondContact O-NH1 3.46Å; T947-R1014 PolarHBondContact O-NH2 2.9Å | ||
| 948 | L | 90.3 | Very high | 90.7 | Very high | 32 Ų | 32 | 33 Ų | 33 | 17% | 0.168 | 17% | 0.167 | C | C | . | . | trans | -115.9 | 137.6 | 171.1 | -59.9 | -178.1 | 0 | 0 | 0 | 108.2 | P946 N956 V995 K1007 I1010 | P946-L948 PolarHBondContact O-N 2.85Å; L948-N956 WeakPolarHBondContact CA-OD1 3.32Å; L948-N956 HydrophobicContact CD2-CB 4.48Å; L948-V995 HydrophobicContact CB-CG2 4.48Å; L948-V995 HydrophobicContact CD1-CB 4.45Å; L948-V995 HydrophobicContact CD1-CG2 4.23Å; L948-K1007 HydrophobicContact CD1-CB 4.18Å; L948-K1007 HydrophobicContact CD1-CG 3.97Å; L948-I1010 HydrophobicContact CD1-CD1 4.31Å; L948-I1010 HydrophobicContact CD1-CG2 4.32Å; L948-I1010 HydrophobicContact CD2-CB 4.35Å; L948-I1010 HydrophobicContact CD2-CG2 3.66Å | ||
| 949 | F | 89.1 | Confident | 90.9 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | trans | -81.1 | 155.5 | 178.9 | -58.9 | -78.2 | 0 | 0 | 0 | 110.7 | E71 A75 T78 V79 L951 N956 Y959 | E71-F949 HydrophobicContact CG-CD1 4.18Å; E71-F949 WeakPolarHBondContact OE1-CA 3.44Å; E71-F949 WeakPolarHBondContact OE1-CB 3.22Å; A75-F949 HydrophobicContact CB-CE1 3.72Å; A75-F949 HydrophobicContact CB-CZ 4.24Å; T78-F949 HydrophobicContact CG2-CE2 4.31Å; T78-F949 HydrophobicContact CG2-CZ 4.25Å; V79-F949 HydrophobicContact CG2-CE1 3.79Å; V79-F949 HydrophobicContact CG2-CZ 3.71Å; F949-L951 HydrophobicContact CB-CB 4.44Å; F949-L951 HydrophobicContact CB-CD1 3.78Å; F949-L951 HydrophobicContact CB-CG 3.9Å; F949-L951 PolarHBondContact O-N 3.36Å; F949-N956 PolarHBondContact N-OD1 3.29Å; F949-N956 PolarHBondContact O-ND2 2.95Å; F949-Y959 HydrophobicContact CD2-CD1 4.48Å; F949-Y959 HydrophobicContact CD2-CD2 4.03Å; F949-Y959 HydrophobicContact CD2-CE2 4.1Å; F949-Y959 HydrophobicContact CD2-CG 4.24Å; F949-Y959 AromaticContact CE2-CD1 3.71Å; F949-Y959 HydrophobicContact CE2-CD1 3.71Å; F949-Y959 AromaticContact CE2-CD2 3.97Å; F949-Y959 HydrophobicContact CE2-CD2 3.97Å; F949-Y959 AromaticContact CE2-CE1 3.58Å; F949-Y959 HydrophobicContact CE2-CE1 3.58Å; F949-Y959 AromaticContact CE2-CE2 3.84Å; F949-Y959 HydrophobicContact CE2-CE2 3.84Å; F949-Y959 AromaticContact CE2-CG 3.92Å; F949-Y959 HydrophobicContact CE2-CG 3.92Å; F949-Y959 AromaticContact CE2-CZ 3.65Å; F949-Y959 HydrophobicContact CZ-CD1 4.43Å; F949-Y959 AromaticContact CZ-CE1 3.86Å; F949-Y959 HydrophobicContact CZ-CE1 3.86Å; F949-Y959 HydrophobicContact CZ-CE2 4.27Å; F949-Y959 AromaticContact CZ-CZ 3.77Å | ||
| 950 | D | 87.4 | Confident | 90.8 | Very high | 50 Ų | 50 | 30.9 Ų | 30.9 | 27% | 0.267 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -71.3 | 62.4 | 178.7 | -151.1 | 55.2 | 0 | 0 | 0 | 110.7 | E71 V995 Q997 R998 | E71-D950 PolarHBondContact OE1-N 3.49Å; D950-V995 WeakPolarHBondContact CA-O 3.47Å; D950-Q997 PolarHBondContact OD1-N 3.31Å; D950-R998 WeakPolarHBondContact OD1-CB 3.42Å; D950-R998 PolarHBondContact OD1-N 2.89Å; D950-R998 WeakPolarHBondContact OD2-CD 3.43Å; D950-R998 IonicContact OD2-NH1 2.66Å |
| 951 | L | 88.3 | Confident | 90.7 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 175.6 | -168.8 | -63.8 | -179.3 | 0 | 0 | 0 | 109.4 | F949 E955 V995 | F949-L951 HydrophobicContact CB-CB 4.44Å; F949-L951 HydrophobicContact CB-CD1 3.78Å; F949-L951 HydrophobicContact CB-CG 3.9Å; F949-L951 PolarHBondContact O-N 3.36Å; L951-E955 HydrophobicContact CB-CB 3.94Å; L951-E955 HydrophobicContact CD1-CB 4.31Å; L951-V995 PolarHBondContact N-O 3.12Å; L951-V995 PolarHBondContact O-N 2.97Å |
| 952 | T | 92.7 | Very high | 90.5 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 163.4 | 174.5 | 75.5 | 0 | 0 | 0 | 0 | 112.3 | R954 E955 N956 E992 T993 K994 | T952-R954 VanDerWaalsContact C-N 3.3Å; T952-R954 PolarHBondContact O-N 2.88Å; T952-E955 PolarHBondContact N-OE2 3.13Å; T952-E955 VanDerWaalsContact N-OE2 3.12Å; T952-E955 PolarHBondContact O-N 3.29Å; T952-E955 WeakPolarHBondContact OG1-CG 3.43Å; T952-E955 PolarHBondContact OG1-N 2.69Å; T952-N956 PolarHBondContact O-N 3.14Å; T952-N956 PolarHBondContact O-ND2 3.4Å; T952-N956 VanDerWaalsContact O-ND2 3.12Å; T952-E992 WeakPolarHBondContact CB-O 3.31Å; T952-E992 WeakPolarHBondContact CG2-O 3.3Å; T952-T993 WeakPolarHBondContact CA-O 3.23Å; T952-K994 HydrophobicContact CG2-CG 4.2Å |
| 953 | I | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 173.5 | -68.1 | 172.7 | 0 | 0 | 0 | 110.3 | E955 N956 I957 I984 L987 Y991 T993 V995 I1010 | I953-E955 VanDerWaalsContact C-N 3.32Å; I953-E955 PolarHBondContact O-N 3.01Å; I953-N956 PolarHBondContact O-N 3.49Å; I953-I957 HydrophobicContact CG2-CD1 3.78Å; I953-I957 HydrophobicContact CG2-CG1 4.42Å; I953-I957 WeakPolarHBondContact O-CG1 3.4Å; I953-I957 PolarHBondContact O-N 3.18Å; I953-I984 HydrophobicContact CD1-CG1 4.39Å; I953-I984 HydrophobicContact CG2-CD1 3.74Å; I953-I984 HydrophobicContact CG2-CG1 4.19Å; I953-L987 HydrophobicContact CD1-CD1 3.59Å; I953-Y991 HydrophobicContact CG2-CD1 4.24Å; I953-Y991 PolarHBondContact N-O 3.38Å; I953-T993 PolarHBondContact N-O 2.92Å; I953-V995 HydrophobicContact CD1-CG1 4.03Å; I953-V995 HydrophobicContact CG1-CG1 3.61Å; I953-V995 HydrophobicContact CG1-CG2 4.11Å; I953-I1010 HydrophobicContact CD1-CD1 4.46Å; I953-I1010 HydrophobicContact CG1-CD1 4.3Å; I953-I1010 HydrophobicContact CG2-CD1 4.24Å |
| 954 | R | 94.6 | Very high | 90.1 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 31% | 0.309 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -50.7 | -51 | 171.7 | -174.9 | -168.4 | 68 | -159.1 | -1.8 | 111.6 | T952 I957 A958 M968 I971 Y991 E992 | T952-R954 VanDerWaalsContact C-N 3.3Å; T952-R954 PolarHBondContact O-N 2.88Å; R954-I957 PolarHBondContact O-N 3.23Å; R954-A958 VanDerWaalsContact O-CB 3.27Å; R954-A958 WeakPolarHBondContact O-CB 3.42Å; R954-A958 PolarHBondContact O-N 2.88Å; R954-M968 HydrophobicContact CG-SD 4Å; R954-I971 HydrophobicContact CG-CD1 3.77Å; R954-Y991 PolarHBondContact N-O 3.21Å; R954-E992 WeakPolarHBondContact CD-OE1 3.37Å; R954-E992 IonicContact CZ-OE1 3.47Å; R954-E992 VanDerWaalsContact CZ-OE1 3.28Å; R954-E992 IonicContact CZ-OE2 2.66Å; R954-E992 IonicContact NE-OE1 2.71Å; R954-E992 IonicContact NE-OE2 3.37Å; R954-E992 IonicContact NH1-OE1 2.72Å; R954-E992 PolarHBondContact NH1-OE1 2.88Å; R954-E992 IonicContact NH1-OE2 3.35Å; R954-E992 PolarHBondContact NH1-OE2 3.39Å; R954-E992 IonicContact NH2-OE2 3.6Å; R954-E992 PolarHBondContact NH2-OE2 3.48Å |
| 955 | E | 93.3 | Very high | 90.2 | Very high | 59 Ų | 59 | 44 Ų | 44 | 28% | 0.276 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.8 | -32.7 | -175.7 | -71.8 | 173.8 | 157 | 0 | 0 | 113.6 | L951 T952 I953 Y959 | L951-E955 HydrophobicContact CB-CB 3.94Å; L951-E955 HydrophobicContact CD1-CB 4.31Å; T952-E955 PolarHBondContact N-OE2 3.13Å; T952-E955 VanDerWaalsContact N-OE2 3.12Å; T952-E955 PolarHBondContact O-N 3.29Å; T952-E955 WeakPolarHBondContact OG1-CG 3.43Å; T952-E955 PolarHBondContact OG1-N 2.69Å; I953-E955 VanDerWaalsContact C-N 3.32Å; I953-E955 PolarHBondContact O-N 3.01Å; E955-Y959 PolarHBondContact O-N 3.05Å; E955-Y959 VanDerWaalsContact O-N 3.09Å |
| 956 | N | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.3 | -42.6 | 172.8 | -90.7 | -81.2 | 0 | 0 | 0 | 111.8 | L948 F949 T952 I953 Y959 V995 I1010 R1014 | L948-N956 WeakPolarHBondContact CA-OD1 3.32Å; L948-N956 HydrophobicContact CD2-CB 4.48Å; F949-N956 PolarHBondContact N-OD1 3.29Å; F949-N956 PolarHBondContact O-ND2 2.95Å; T952-N956 PolarHBondContact O-N 3.14Å; T952-N956 PolarHBondContact O-ND2 3.4Å; T952-N956 VanDerWaalsContact O-ND2 3.12Å; I953-N956 PolarHBondContact O-N 3.49Å; N956-Y959 WeakPolarHBondContact O-CB 3.49Å; N956-Y959 PolarHBondContact O-N 3.37Å; N956-V995 WeakPolarHBondContact ND2-CG2 3.18Å; N956-I1010 HydrophobicContact CB-CG2 4.43Å; N956-R1014 WeakPolarHBondContact O-CD 3.14Å |
| 957 | I | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.5 | -46 | 176.2 | -66.7 | 172.6 | 0 | 0 | 0 | 110.2 | I953 R954 Y959 G960 I971 A975 I984 Y991 I1010 A1013 V1017 | I953-I957 HydrophobicContact CG2-CD1 3.78Å; I953-I957 HydrophobicContact CG2-CG1 4.42Å; I953-I957 WeakPolarHBondContact O-CG1 3.4Å; I953-I957 PolarHBondContact O-N 3.18Å; R954-I957 PolarHBondContact O-N 3.23Å; I957-Y959 PolarHBondContact O-N 3.45Å; I957-Y959 VanDerWaalsContact O-N 3.13Å; I957-G960 PolarHBondContact O-N 3Å; I957-G960 VanDerWaalsContact O-N 3.14Å; I957-I971 HydrophobicContact CB-CG2 4.25Å; I957-I971 HydrophobicContact CD1-CG2 4.45Å; I957-I971 HydrophobicContact CG2-CB 4.37Å; I957-I971 HydrophobicContact CG2-CG1 4.3Å; I957-I971 HydrophobicContact CG2-CG2 3.93Å; I957-A975 HydrophobicContact CD1-CB 4.35Å; I957-I984 HydrophobicContact CD1-CD1 4.33Å; I957-Y991 HydrophobicContact CD1-CE1 4.32Å; I957-I1010 HydrophobicContact CG1-CG2 4.02Å; I957-A1013 HydrophobicContact CD1-CB 4.12Å; I957-A1013 HydrophobicContact CG1-CB 4.09Å; I957-A1013 HydrophobicContact CG2-CB 4.17Å; I957-V1017 HydrophobicContact CG2-CG2 3.49Å; I957-V1017 VanDerWaalsContact CG2-CG2 3.49Å |
| 958 | A | 94.7 | Very high | 91.4 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -19.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | R954 G960 D961 V966 I971 | R954-A958 VanDerWaalsContact O-CB 3.27Å; R954-A958 WeakPolarHBondContact O-CB 3.42Å; R954-A958 PolarHBondContact O-N 2.88Å; A958-G960 PolarHBondContact O-N 2.91Å; A958-G960 VanDerWaalsContact O-N 3.08Å; A958-D961 PolarHBondContact O-N 3.3Å; A958-V966 HydrophobicContact CB-CB 4.34Å; A958-I971 HydrophobicContact CB-CD1 3.98Å |
| 959 | Y | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.6 | 174 | -150.8 | -86 | 0 | 0 | 0 | 113.5 | F82 E88 F949 E955 N956 I957 D961 N962 | F82-Y959 HydrophobicContact CB-CD1 3.91Å; F82-Y959 HydrophobicContact CB-CE1 4.08Å; F82-Y959 HydrophobicContact CG-CD1 4.4Å; E88-Y959 WeakPolarHBondContact CG-OH 3.41Å; E88-Y959 VanDerWaalsContact OE1-CE2 3.28Å; E88-Y959 WeakPolarHBondContact OE1-CE2 3.46Å; E88-Y959 PolarHBondContact OE1-OH 2.89Å; F949-Y959 HydrophobicContact CD2-CD1 4.48Å; F949-Y959 HydrophobicContact CD2-CD2 4.03Å; F949-Y959 HydrophobicContact CD2-CE2 4.1Å; F949-Y959 HydrophobicContact CD2-CG 4.24Å; F949-Y959 AromaticContact CE2-CD1 3.71Å; F949-Y959 HydrophobicContact CE2-CD1 3.71Å; F949-Y959 AromaticContact CE2-CD2 3.97Å; F949-Y959 HydrophobicContact CE2-CD2 3.97Å; F949-Y959 AromaticContact CE2-CE1 3.58Å; F949-Y959 HydrophobicContact CE2-CE1 3.58Å; F949-Y959 AromaticContact CE2-CE2 3.84Å; F949-Y959 HydrophobicContact CE2-CE2 3.84Å; F949-Y959 AromaticContact CE2-CG 3.92Å; F949-Y959 HydrophobicContact CE2-CG 3.92Å; F949-Y959 AromaticContact CE2-CZ 3.65Å; F949-Y959 HydrophobicContact CZ-CD1 4.43Å; F949-Y959 AromaticContact CZ-CE1 3.86Å; F949-Y959 HydrophobicContact CZ-CE1 3.86Å; F949-Y959 HydrophobicContact CZ-CE2 4.27Å; F949-Y959 AromaticContact CZ-CZ 3.77Å; E955-Y959 PolarHBondContact O-N 3.05Å; E955-Y959 VanDerWaalsContact O-N 3.09Å; N956-Y959 WeakPolarHBondContact O-CB 3.49Å; N956-Y959 PolarHBondContact O-N 3.37Å; I957-Y959 PolarHBondContact O-N 3.45Å; I957-Y959 VanDerWaalsContact O-N 3.13Å; Y959-D961 VanDerWaalsContact C-N 3.28Å; Y959-D961 PolarHBondContact O-N 3.41Å; Y959-N962 PolarHBondContact O-ND2 3.16Å |
| 960 | G | 90.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -35.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I957 A958 R1014 R1018 | I957-G960 PolarHBondContact O-N 3Å; I957-G960 VanDerWaalsContact O-N 3.14Å; A958-G960 PolarHBondContact O-N 2.91Å; A958-G960 VanDerWaalsContact O-N 3.08Å; G960-R1014 WeakPolarHBondContact CA-O 3.49Å; G960-R1018 WeakPolarHBondContact O-CD 3.44Å; G960-R1018 PolarHBondContact O-NH2 3.49Å |
| 961 | D | 91.1 | Very high | 92.1 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.064 | 23% | 0.228 | C | C | . | . | trans | -129.2 | 84.5 | -179.4 | -169.4 | -0 | 0 | 0 | 0 | 112.1 | A958 Y959 S963 R964 V966 V1017 R1018 | A958-D961 PolarHBondContact O-N 3.3Å; Y959-D961 VanDerWaalsContact C-N 3.28Å; Y959-D961 PolarHBondContact O-N 3.41Å; D961-S963 PolarHBondContact O-N 3.01Å; D961-S963 VanDerWaalsContact O-N 3.12Å; D961-S963 WeakPolarHBondContact OD1-CB 3.38Å; D961-S963 PolarHBondContact OD1-N 3.32Å; D961-S963 PolarHBondContact OD1-OG 3.12Å; D961-R964 WeakPolarHBondContact OD2-CD 3.29Å; D961-R964 WeakPolarHBondContact OD2-CG 3.33Å; D961-R964 IonicContact OD2-CZ 3.87Å; D961-R964 IonicContact OD2-NE 2.7Å; D961-R964 PolarHBondContact OD2-NE 3.41Å; D961-R964 IonicContact OD2-NH2 2.67Å; D961-V966 HydrophobicContact CB-CG2 4.01Å; D961-V1017 HydrophobicContact CB-CG1 4.29Å; D961-R1018 HydrophobicContact CB-CB 4.03Å; D961-R1018 HydrophobicContact CB-CG 3.69Å | ||
| 962 | N | 89.2 | Confident | 92.5 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 13.3 | 174.2 | -60.9 | -68.3 | 0 | 0 | 0 | 113.8 | F82 R87 Y959 | F82-N962 PolarHBondContact O-ND2 3.32Å; R87-N962 WeakPolarHBondContact CD-OD1 3.42Å; R87-N962 PolarHBondContact NH1-OD1 3.34Å; Y959-N962 PolarHBondContact O-ND2 3.16Å |
| 963 | S | 84.4 | Confident | 92.6 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 48% | 0.483 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -9.3 | -179.4 | 76 | 0 | 0 | 0 | 0 | 115.3 | K937 D961 | K937-S963 VanDerWaalsContact NZ-CB 3.31Å; D961-S963 PolarHBondContact O-N 3.01Å; D961-S963 VanDerWaalsContact O-N 3.12Å; D961-S963 WeakPolarHBondContact OD1-CB 3.38Å; D961-S963 PolarHBondContact OD1-N 3.32Å; D961-S963 PolarHBondContact OD1-OG 3.12Å |
| 964 | R | 89.7 | Confident | 92.6 | Very high | 104 Ų | 104 | 51.5 Ų | 51.5 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -151.4 | 176.3 | 175.7 | 63.4 | -174.1 | 178.4 | 107.2 | -7.4 | 109.2 | D961 E970 | D961-R964 WeakPolarHBondContact OD2-CD 3.29Å; D961-R964 WeakPolarHBondContact OD2-CG 3.33Å; D961-R964 IonicContact OD2-CZ 3.87Å; D961-R964 IonicContact OD2-NE 2.7Å; D961-R964 PolarHBondContact OD2-NE 3.41Å; D961-R964 IonicContact OD2-NH2 2.67Å; R964-E970 IonicContact CZ-OE1 2.6Å; R964-E970 IonicContact CZ-OE2 2.68Å; R964-E970 VanDerWaalsContact NH1-CD 3.34Å; R964-E970 IonicContact NH1-OE1 2.63Å; R964-E970 PolarHBondContact NH1-OE1 3.07Å; R964-E970 VanDerWaalsContact NH1-OE1 3.15Å; R964-E970 IonicContact NH1-OE2 3.31Å; R964-E970 PolarHBondContact NH1-OE2 3.04Å; R964-E970 IonicContact NH2-OE1 2.95Å; R964-E970 PolarHBondContact NH2-OE1 3.36Å; R964-E970 IonicContact NH2-OE2 3.64Å; R964-E970 PolarHBondContact NH2-OE2 2.97Å |
| 965 | E | 87.9 | Confident | 92.6 | Very high | 185 Ų | 185 | 47.6 Ų | 47.6 | 86% | 0.864 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -85.3 | 132.4 | 162.3 | -65.7 | 179.8 | 175.1 | 0 | 0 | 108.5 | ||
| 966 | V | 91.3 | Very high | 92.7 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 135.3 | -177 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | A958 D961 E970 I971 V1017 | A958-V966 HydrophobicContact CB-CB 4.34Å; D961-V966 HydrophobicContact CB-CG2 4.01Å; V966-E970 HydrophobicContact CG1-CB 3.86Å; V966-I971 HydrophobicContact CG1-CD1 4.36Å; V966-I971 HydrophobicContact CG1-CG1 3.87Å; V966-V1017 HydrophobicContact CB-CG1 4.44Å; V966-V1017 HydrophobicContact CG1-CG1 3.71Å; V966-V1017 HydrophobicContact CG2-CG1 3.87Å |
| 967 | T | 94.7 | Very high | 92.6 | Very high | 68 Ų | 68 | 53.9 Ų | 53.9 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 156.6 | -178.4 | 77.7 | 0 | 0 | 0 | 0 | 111.5 | E969 E970 I971 | T967-E969 PolarHBondContact O-N 3.43Å; T967-E970 PolarHBondContact N-OE2 3.22Å; T967-E970 PolarHBondContact O-N 3.16Å; T967-E970 WeakPolarHBondContact OG1-CG 3.46Å; T967-E970 PolarHBondContact OG1-N 2.95Å; T967-I971 WeakPolarHBondContact O-CG1 3.29Å; T967-I971 PolarHBondContact O-N 3.33Å; T967-I971 VanDerWaalsContact O-N 3.14Å |
| 968 | M | 93.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 53.9 Ų | 53.9 | 37% | 0.365 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.9 | -29.7 | 177.1 | -167.3 | 62 | -170.8 | 0 | 0 | 112.3 | R954 I971 I972 Y991 | R954-M968 HydrophobicContact CG-SD 4Å; M968-I971 PolarHBondContact O-N 2.93Å; M968-I971 HydrophobicContact SD-CB 4.42Å; M968-I971 HydrophobicContact SD-CD1 4.42Å; M968-I971 HydrophobicContact SD-CG2 4.32Å; M968-I972 HydrophobicContact CE-CD1 4.22Å; M968-I972 HydrophobicContact CE-CG1 4.22Å; M968-I972 HydrophobicContact CG-CD1 4.07Å; M968-I972 WeakPolarHBondContact O-CD1 3.27Å; M968-I972 VanDerWaalsContact O-CG1 3.28Å; M968-I972 WeakPolarHBondContact O-CG1 3.48Å; M968-I972 PolarHBondContact O-N 3.5Å; M968-Y991 HydrophobicContact CE-CD1 3.96Å; M968-Y991 HydrophobicContact CE-CD2 3.46Å; M968-Y991 VanDerWaalsContact CE-CD2 3.46Å; M968-Y991 HydrophobicContact CE-CE1 4.43Å; M968-Y991 HydrophobicContact CE-CE2 3.97Å; M968-Y991 HydrophobicContact CE-CG 3.45Å; M968-Y991 VanDerWaalsContact CE-CG 3.45Å |
| 969 | E | 94.4 | Very high | 92.4 | Very high | 157 Ų | 157 | 56.1 Ų | 56.1 | 73% | 0.734 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.9 | -44.3 | 176.1 | -62 | 176.1 | 165.5 | 0 | 0 | 111.5 | T967 I971 I972 E973 | T967-E969 PolarHBondContact O-N 3.43Å; E969-I971 VanDerWaalsContact C-N 3.34Å; E969-I971 PolarHBondContact O-N 3.04Å; E969-I972 PolarHBondContact O-N 3.18Å; E969-E973 WeakPolarHBondContact O-CB 3.22Å; E969-E973 PolarHBondContact O-N 3.08Å |
| 970 | E | 94.1 | Very high | 92.4 | Very high | 35 Ų | 35 | 56.2 Ų | 56.2 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -34.4 | 175.9 | -66 | 175.9 | 115.5 | 0 | 0 | 112.4 | R964 V966 T967 E973 A974 | R964-E970 IonicContact CZ-OE1 2.6Å; R964-E970 IonicContact CZ-OE2 2.68Å; R964-E970 VanDerWaalsContact NH1-CD 3.34Å; R964-E970 IonicContact NH1-OE1 2.63Å; R964-E970 PolarHBondContact NH1-OE1 3.07Å; R964-E970 VanDerWaalsContact NH1-OE1 3.15Å; R964-E970 IonicContact NH1-OE2 3.31Å; R964-E970 PolarHBondContact NH1-OE2 3.04Å; R964-E970 IonicContact NH2-OE1 2.95Å; R964-E970 PolarHBondContact NH2-OE1 3.36Å; R964-E970 IonicContact NH2-OE2 3.64Å; R964-E970 PolarHBondContact NH2-OE2 2.97Å; V966-E970 HydrophobicContact CG1-CB 3.86Å; T967-E970 PolarHBondContact N-OE2 3.22Å; T967-E970 PolarHBondContact O-N 3.16Å; T967-E970 WeakPolarHBondContact OG1-CG 3.46Å; T967-E970 PolarHBondContact OG1-N 2.95Å; E970-E973 PolarHBondContact O-N 3.4Å; E970-A974 WeakPolarHBondContact O-CB 3.4Å; E970-A974 PolarHBondContact O-N 2.65Å |
| 971 | I | 94.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 174.1 | -69.1 | 167 | 0 | 0 | 0 | 110.3 | R954 I957 A958 V966 T967 M968 E969 A975 Y991 | R954-I971 HydrophobicContact CG-CD1 3.77Å; I957-I971 HydrophobicContact CB-CG2 4.25Å; I957-I971 HydrophobicContact CD1-CG2 4.45Å; I957-I971 HydrophobicContact CG2-CB 4.37Å; I957-I971 HydrophobicContact CG2-CG1 4.3Å; I957-I971 HydrophobicContact CG2-CG2 3.93Å; A958-I971 HydrophobicContact CB-CD1 3.98Å; V966-I971 HydrophobicContact CG1-CD1 4.36Å; V966-I971 HydrophobicContact CG1-CG1 3.87Å; T967-I971 WeakPolarHBondContact O-CG1 3.29Å; T967-I971 PolarHBondContact O-N 3.33Å; T967-I971 VanDerWaalsContact O-N 3.14Å; M968-I971 PolarHBondContact O-N 2.93Å; M968-I971 HydrophobicContact SD-CB 4.42Å; M968-I971 HydrophobicContact SD-CD1 4.42Å; M968-I971 HydrophobicContact SD-CG2 4.32Å; E969-I971 VanDerWaalsContact C-N 3.34Å; E969-I971 PolarHBondContact O-N 3.04Å; I971-A975 WeakPolarHBondContact O-CB 3.1Å; I971-A975 PolarHBondContact O-N 3.38Å; I971-Y991 HydrophobicContact CG2-CD1 4.08Å; I971-Y991 HydrophobicContact CG2-CE1 3.9Å |
| 972 | I | 95.5 | Very high | 92.6 | Very high | 42 Ų | 42 | 62.2 Ų | 62.2 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.4 | -40.3 | 175.9 | -68.3 | 164.1 | 0 | 0 | 0 | 111.3 | M968 E969 A975 R976 Y991 | M968-I972 HydrophobicContact CE-CD1 4.22Å; M968-I972 HydrophobicContact CE-CG1 4.22Å; M968-I972 HydrophobicContact CG-CD1 4.07Å; M968-I972 WeakPolarHBondContact O-CD1 3.27Å; M968-I972 VanDerWaalsContact O-CG1 3.28Å; M968-I972 WeakPolarHBondContact O-CG1 3.48Å; M968-I972 PolarHBondContact O-N 3.5Å; E969-I972 PolarHBondContact O-N 3.18Å; I972-A975 PolarHBondContact O-N 3.04Å; I972-R976 HydrophobicContact CG2-CG 4.4Å; I972-R976 WeakPolarHBondContact O-CB 3.19Å; I972-R976 VanDerWaalsContact O-CG 3.29Å; I972-R976 WeakPolarHBondContact O-CG 3.41Å; I972-R976 PolarHBondContact O-N 3.24Å; I972-Y991 HydrophobicContact CG1-CE2 4.02Å |
| 973 | E | 94.4 | Very high | 92.7 | Very high | 100 Ų | 100 | 62.6 Ų | 62.6 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.2 | -51 | 173.4 | -174.5 | -167.3 | 168.4 | 0 | 0 | 110.7 | E969 E970 R976 A977 K1019 | E969-E973 WeakPolarHBondContact O-CB 3.22Å; E969-E973 PolarHBondContact O-N 3.08Å; E970-E973 PolarHBondContact O-N 3.4Å; E973-R976 PolarHBondContact O-N 3.36Å; E973-A977 WeakPolarHBondContact O-CB 3.21Å; E973-A977 PolarHBondContact O-N 2.94Å; E973-K1019 IonicContact OE1-NZ 2.65Å; E973-K1019 PolarHBondContact OE1-NZ 3.49Å; E973-K1019 IonicContact OE2-NZ 2.66Å; E973-K1019 PolarHBondContact OE2-NZ 2.93Å |
| 974 | A | 94.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E970 A978 A1013 L1016 V1017 | E970-A974 WeakPolarHBondContact O-CB 3.4Å; E970-A974 PolarHBondContact O-N 2.65Å; A974-A978 VanDerWaalsContact O-CB 3.31Å; A974-A978 WeakPolarHBondContact O-CB 3.2Å; A974-A978 PolarHBondContact O-N 3.27Å; A974-A1013 HydrophobicContact CB-CB 4.39Å; A974-L1016 HydrophobicContact CB-CB 4.26Å; A974-V1017 HydrophobicContact CB-CG2 3.59Å |
| 975 | A | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.9 | -29.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I957 I971 I972 N979 I980 H981 I984 Y991 | I957-A975 HydrophobicContact CD1-CB 4.35Å; I971-A975 WeakPolarHBondContact O-CB 3.1Å; I971-A975 PolarHBondContact O-N 3.38Å; I972-A975 PolarHBondContact O-N 3.04Å; A975-N979 PolarHBondContact O-N 2.8Å; A975-I980 HydrophobicContact CB-CG2 4.01Å; A975-I980 WeakPolarHBondContact O-CG2 3.47Å; A975-I980 PolarHBondContact O-N 3.33Å; A975-H981 HydrophobicContact CB-CB 4.3Å; A975-H981 PolarHBondContact O-N 3.28Å; A975-I984 HydrophobicContact CB-CD1 4.36Å; A975-Y991 HydrophobicContact CB-CE1 4.08Å; A975-Y991 VanDerWaalsContact CB-OH 3.25Å; A975-Y991 WeakPolarHBondContact CB-OH 3.47Å |
| 976 | R | 94.8 | Very high | 93.5 | Very high | 148 Ų | 148 | 53.6 Ų | 53.6 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -72.1 | -48.3 | 170.4 | -74.3 | 173.7 | -178.1 | -179.5 | -1.9 | 110.9 | I972 E973 A978 N979 H981 | I972-R976 HydrophobicContact CG2-CG 4.4Å; I972-R976 WeakPolarHBondContact O-CB 3.19Å; I972-R976 VanDerWaalsContact O-CG 3.29Å; I972-R976 WeakPolarHBondContact O-CG 3.41Å; I972-R976 PolarHBondContact O-N 3.24Å; E973-R976 PolarHBondContact O-N 3.36Å; R976-A978 PolarHBondContact O-N 2.62Å; R976-N979 PolarHBondContact O-N 3.14Å; R976-N979 PolarHBondContact O-OD1 2.97Å; R976-H981 HydrophobicContact CB-CB 4.48Å; R976-H981 HydrophobicContact CG-CB 3.63Å; R976-H981 VanDerWaalsContact CG-CD2 3.5Å; R976-H981 WeakPolarHBondContact CG-CD2 3.48Å; R976-H981 PolarHBondContact NE-CD2 3.45Å; R976-H981 PolarHBondContact NE-NE2 2.86Å; R976-H981 VanDerWaalsContact NE-NE2 3.14Å; R976-H981 PolarHBondContact NH2-NE2 3.5Å |
| 977 | A | 91.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -24.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E973 L1016 | E973-A977 WeakPolarHBondContact O-CB 3.21Å; E973-A977 PolarHBondContact O-N 2.94Å; A977-L1016 HydrophobicContact CB-CD1 3.79Å |
| 978 | A | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 13.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A974 R976 I980 R1009 I1012 A1013 | A974-A978 VanDerWaalsContact O-CB 3.31Å; A974-A978 WeakPolarHBondContact O-CB 3.2Å; A974-A978 PolarHBondContact O-N 3.27Å; R976-A978 PolarHBondContact O-N 2.62Å; A978-I980 VanDerWaalsContact C-N 3.26Å; A978-I980 HydrophobicContact CB-CG2 4.26Å; A978-I980 PolarHBondContact O-N 3.42Å; A978-I980 VanDerWaalsContact O-N 3.16Å; A978-R1009 WeakPolarHBondContact CB-O 3.32Å; A978-R1009 WeakPolarHBondContact O-CB 3.39Å; A978-R1009 WeakPolarHBondContact O-CD 3.35Å; A978-R1009 WeakPolarHBondContact O-CG 3.37Å; A978-I1012 HydrophobicContact CB-CB 4.01Å; A978-I1012 HydrophobicContact CB-CG2 3.79Å; A978-A1013 HydrophobicContact CB-CB 3.83Å |
| 979 | N | 92.7 | Very high | 92.9 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36.4 | 179.4 | -61.9 | -18.4 | 0 | 0 | 0 | 114.5 | A975 R976 R1009 I1039 A1043 | A975-N979 PolarHBondContact O-N 2.8Å; R976-N979 PolarHBondContact O-N 3.14Å; R976-N979 PolarHBondContact O-OD1 2.97Å; N979-R1009 WeakPolarHBondContact O-CD 3.47Å; N979-R1009 PolarHBondContact O-NH1 3.37Å; N979-I1039 HydrophobicContact CB-CG2 4.34Å; N979-A1043 HydrophobicContact CB-CB 4.28Å |
| 980 | I | 93.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | trans | -124 | -13.5 | -176.9 | -162.6 | 63.9 | 0 | 0 | 0 | 114.3 | A975 A978 D982 F983 I984 Q1006 R1009 I1010 | A975-I980 HydrophobicContact CB-CG2 4.01Å; A975-I980 WeakPolarHBondContact O-CG2 3.47Å; A975-I980 PolarHBondContact O-N 3.33Å; A978-I980 VanDerWaalsContact C-N 3.26Å; A978-I980 HydrophobicContact CB-CG2 4.26Å; A978-I980 PolarHBondContact O-N 3.42Å; A978-I980 VanDerWaalsContact O-N 3.16Å; I980-D982 VanDerWaalsContact C-N 3.34Å; I980-D982 PolarHBondContact O-N 2.6Å; I980-F983 HydrophobicContact CD1-CB 4.06Å; I980-F983 HydrophobicContact CD1-CD1 3.64Å; I980-F983 HydrophobicContact CD1-CG 4.15Å; I980-F983 HydrophobicContact CG1-CD1 4.35Å; I980-F983 PolarHBondContact O-N 3.47Å; I980-I984 HydrophobicContact CB-CD1 4.46Å; I980-I984 HydrophobicContact CG1-CD1 4.07Å; I980-I984 HydrophobicContact CG1-CG1 4.2Å; I980-I984 HydrophobicContact CG2-CD1 3.95Å; I980-I984 WeakPolarHBondContact O-CG1 3.49Å; I980-I984 PolarHBondContact O-N 3.16Å; I980-Q1006 HydrophobicContact CD1-CB 4.38Å; I980-Q1006 HydrophobicContact CD1-CG 4.36Å; I980-R1009 HydrophobicContact CB-CB 3.79Å; I980-R1009 HydrophobicContact CD1-CB 4.05Å; I980-R1009 HydrophobicContact CG1-CB 4.07Å; I980-R1009 HydrophobicContact CG2-CB 4.34Å; I980-I1010 HydrophobicContact CG1-CG1 4.18Å | ||
| 981 | H | 94.3 | Very high | 92.9 | Very high | 24 Ų | 24 | 55 Ų | 55 | 11% | 0.111 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -49.5 | -51.1 | 178 | 178 | 43.1 | 0 | 0 | 0 | 113.1 | A975 R976 F983 I984 T985 Y991 | A975-H981 HydrophobicContact CB-CB 4.3Å; A975-H981 PolarHBondContact O-N 3.28Å; R976-H981 HydrophobicContact CB-CB 4.48Å; R976-H981 HydrophobicContact CG-CB 3.63Å; R976-H981 VanDerWaalsContact CG-CD2 3.5Å; R976-H981 WeakPolarHBondContact CG-CD2 3.48Å; R976-H981 PolarHBondContact NE-CD2 3.45Å; R976-H981 PolarHBondContact NE-NE2 2.86Å; R976-H981 VanDerWaalsContact NE-NE2 3.14Å; R976-H981 PolarHBondContact NH2-NE2 3.5Å; H981-F983 PolarHBondContact O-N 3.03Å; H981-I984 WeakPolarHBondContact O-CA 3.42Å; H981-I984 WeakPolarHBondContact O-CB 3.29Å; H981-I984 PolarHBondContact O-N 2.9Å; H981-T985 PolarHBondContact O-N 3.42Å; H981-Y991 AromaticContact ND1-CE2 3.92Å; H981-Y991 AromaticContact ND1-CZ 3.87Å; H981-Y991 PolarHBondContact ND1-OH 3.44Å |
| 982 | D | 92.2 | Very high | 92.8 | Very high | 115 Ų | 115 | 58.4 Ų | 58.4 | 62% | 0.615 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | -172.3 | -48.1 | -23.7 | 0 | 0 | 0 | 110.8 | I980 I984 T985 T986 | I980-D982 VanDerWaalsContact C-N 3.34Å; I980-D982 PolarHBondContact O-N 2.6Å; D982-I984 VanDerWaalsContact C-N 3.34Å; D982-I984 PolarHBondContact O-N 3.09Å; D982-T985 PolarHBondContact O-N 2.88Å; D982-T985 VanDerWaalsContact O-N 3.11Å; D982-T985 PolarHBondContact O-OG1 3.21Å; D982-T986 PolarHBondContact O-N 3.34Å |
| 983 | F | 91.4 | Very high | 92.6 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -41 | 171.1 | 172 | -99.1 | 0 | 0 | 0 | 112.2 | I980 H981 T985 T986 L987 L1002 Q1006 | I980-F983 HydrophobicContact CD1-CB 4.06Å; I980-F983 HydrophobicContact CD1-CD1 3.64Å; I980-F983 HydrophobicContact CD1-CG 4.15Å; I980-F983 HydrophobicContact CG1-CD1 4.35Å; I980-F983 PolarHBondContact O-N 3.47Å; H981-F983 PolarHBondContact O-N 3.03Å; F983-T985 VanDerWaalsContact C-N 3.26Å; F983-T985 PolarHBondContact O-N 3.07Å; F983-T986 PolarHBondContact O-N 3.21Å; F983-T986 VanDerWaalsContact O-N 3.16Å; F983-T986 PolarHBondContact O-OG1 2.88Å; F983-L987 HydrophobicContact CE1-CD1 4.07Å; F983-L987 HydrophobicContact CE1-CD2 4.36Å; F983-L987 HydrophobicContact CE1-CG 4.39Å; F983-L987 HydrophobicContact CZ-CD2 3.99Å; F983-L987 HydrophobicContact CZ-CG 4.47Å; F983-L1002 HydrophobicContact CE1-CD2 3.74Å; F983-L1002 HydrophobicContact CZ-CD2 3.85Å; F983-Q1006 HydrophobicContact CD1-CG 4.3Å; F983-Q1006 HydrophobicContact CE1-CB 4.45Å; F983-Q1006 HydrophobicContact CE1-CG 4.02Å; F983-Q1006 VanDerWaalsContact CE2-NE2 3.27Å; F983-Q1006 HydrophobicContact CZ-CG 4.14Å |
| 984 | I | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -36 | 175.5 | -64.9 | 161.4 | 0 | 0 | 0 | 110.4 | I953 I957 A975 I980 H981 D982 T986 L987 Q990 Y991 | I953-I984 HydrophobicContact CD1-CG1 4.39Å; I953-I984 HydrophobicContact CG2-CD1 3.74Å; I953-I984 HydrophobicContact CG2-CG1 4.19Å; I957-I984 HydrophobicContact CD1-CD1 4.33Å; A975-I984 HydrophobicContact CB-CD1 4.36Å; I980-I984 HydrophobicContact CB-CD1 4.46Å; I980-I984 HydrophobicContact CG1-CD1 4.07Å; I980-I984 HydrophobicContact CG1-CG1 4.2Å; I980-I984 HydrophobicContact CG2-CD1 3.95Å; I980-I984 WeakPolarHBondContact O-CG1 3.49Å; I980-I984 PolarHBondContact O-N 3.16Å; H981-I984 WeakPolarHBondContact O-CA 3.42Å; H981-I984 WeakPolarHBondContact O-CB 3.29Å; H981-I984 PolarHBondContact O-N 2.9Å; D982-I984 VanDerWaalsContact C-N 3.34Å; D982-I984 PolarHBondContact O-N 3.09Å; I984-T986 VanDerWaalsContact C-N 3.27Å; I984-T986 PolarHBondContact O-N 3.38Å; I984-L987 WeakPolarHBondContact O-CB 3.25Å; I984-L987 PolarHBondContact O-N 3.26Å; I984-Q990 WeakPolarHBondContact O-CA 3.49Å; I984-Y991 HydrophobicContact CD1-CD1 4.28Å; I984-Y991 HydrophobicContact CD1-CE1 3.77Å; I984-Y991 HydrophobicContact CG2-CD1 3.82Å; I984-Y991 HydrophobicContact CG2-CD2 3.67Å; I984-Y991 HydrophobicContact CG2-CE1 4.01Å; I984-Y991 HydrophobicContact CG2-CE2 3.89Å; I984-Y991 HydrophobicContact CG2-CG 3.64Å |
| 985 | T | 92.2 | Very high | 92.1 | Very high | 61 Ų | 61 | 58.4 Ų | 58.4 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.7 | -17.2 | 176.6 | 61.5 | 0 | 0 | 0 | 0 | 114.7 | H981 D982 F983 | H981-T985 PolarHBondContact O-N 3.42Å; D982-T985 PolarHBondContact O-N 2.88Å; D982-T985 VanDerWaalsContact O-N 3.11Å; D982-T985 PolarHBondContact O-OG1 3.21Å; F983-T985 VanDerWaalsContact C-N 3.26Å; F983-T985 PolarHBondContact O-N 3.07Å |
| 986 | T | 92.3 | Very high | 91.4 | Very high | 107 Ų | 107 | 60 Ų | 60 | 66% | 0.656 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -84.3 | -9.6 | 171.9 | 68 | 0 | 0 | 0 | 0 | 113.7 | D982 F983 I984 | D982-T986 PolarHBondContact O-N 3.34Å; F983-T986 PolarHBondContact O-N 3.21Å; F983-T986 VanDerWaalsContact O-N 3.16Å; F983-T986 PolarHBondContact O-OG1 2.88Å; I984-T986 VanDerWaalsContact C-N 3.27Å; I984-T986 PolarHBondContact O-N 3.38Å |
| 987 | L | 90.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 61 Ų | 61 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -78.3 | 141.9 | 175.5 | -60.9 | 174.8 | 0 | 0 | 0 | 111.1 | I953 F983 I984 E989 Q990 T993 | I953-L987 HydrophobicContact CD1-CD1 3.59Å; F983-L987 HydrophobicContact CE1-CD1 4.07Å; F983-L987 HydrophobicContact CE1-CD2 4.36Å; F983-L987 HydrophobicContact CE1-CG 4.39Å; F983-L987 HydrophobicContact CZ-CD2 3.99Å; F983-L987 HydrophobicContact CZ-CG 4.47Å; I984-L987 WeakPolarHBondContact O-CB 3.25Å; I984-L987 PolarHBondContact O-N 3.26Å; L987-E989 VanDerWaalsContact C-N 3.33Å; L987-E989 PolarHBondContact O-N 3.32Å; L987-Q990 WeakPolarHBondContact O-CA 2.97Å; L987-Q990 WeakPolarHBondContact O-CG 3.37Å; L987-Q990 PolarHBondContact O-N 2.93Å; L987-T993 WeakPolarHBondContact CB-OG1 3.32Å; L987-T993 HydrophobicContact CD1-CG2 4.22Å |
| 988 | P | 88.2 | Confident | 88.5 | Confident | 132 Ų | 132 | 68.3 Ų | 68.3 | 86% | 0.857 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -30.6 | -172.6 | 25.5 | -35 | 0 | 0 | 0 | 114.2 | ||
| 989 | E | 90 | Very high | 86.9 | Confident | 117 Ų | 117 | 69.5 Ų | 69.5 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 7.4 | 173.2 | -59.2 | -177.3 | 144.6 | 0 | 0 | 111.9 | L987 Y991 E992 T993 | L987-E989 VanDerWaalsContact C-N 3.33Å; L987-E989 PolarHBondContact O-N 3.32Å; E989-Y991 PolarHBondContact O-N 3.47Å; E989-E992 WeakPolarHBondContact O-CA 3.28Å; E989-E992 WeakPolarHBondContact O-CB 3.29Å; E989-E992 PolarHBondContact O-N 3.2Å; E989-T993 PolarHBondContact O-N 3.39Å |
| 990 | Q | 92.9 | Very high | 85.6 | Confident | 100 Ų | 100 | 68.6 Ų | 68.6 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | 43.6 | -119.3 | -175.1 | -58.5 | -176.2 | -1.7 | 0 | 0 | 112.6 | I984 L987 E992 T993 | I984-Q990 WeakPolarHBondContact O-CA 3.49Å; L987-Q990 WeakPolarHBondContact O-CA 2.97Å; L987-Q990 WeakPolarHBondContact O-CG 3.37Å; L987-Q990 PolarHBondContact O-N 2.93Å; Q990-E992 VanDerWaalsContact C-N 3.31Å; Q990-E992 PolarHBondContact O-N 2.81Å; Q990-T993 PolarHBondContact N-OG1 3.48Å; Q990-T993 VanDerWaalsContact O-CB 3.25Å; Q990-T993 WeakPolarHBondContact O-CB 3.28Å; Q990-T993 PolarHBondContact O-N 3.39Å; Q990-T993 PolarHBondContact O-OG1 3.02Å |
| 991 | Y | 93.8 | Very high | 84.8 | Confident | 11 Ų | 11 | 78.7 Ų | 78.7 | 4% | 0.043 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -72.8 | -18.6 | -179.9 | -78.2 | -87 | 0 | 0 | 0 | 114.3 | I953 R954 I957 M968 I971 I972 A975 H981 I984 E989 T993 | I953-Y991 HydrophobicContact CG2-CD1 4.24Å; I953-Y991 PolarHBondContact N-O 3.38Å; R954-Y991 PolarHBondContact N-O 3.21Å; I957-Y991 HydrophobicContact CD1-CE1 4.32Å; M968-Y991 HydrophobicContact CE-CD1 3.96Å; M968-Y991 HydrophobicContact CE-CD2 3.46Å; M968-Y991 VanDerWaalsContact CE-CD2 3.46Å; M968-Y991 HydrophobicContact CE-CE1 4.43Å; M968-Y991 HydrophobicContact CE-CE2 3.97Å; M968-Y991 HydrophobicContact CE-CG 3.45Å; M968-Y991 VanDerWaalsContact CE-CG 3.45Å; I971-Y991 HydrophobicContact CG2-CD1 4.08Å; I971-Y991 HydrophobicContact CG2-CE1 3.9Å; I972-Y991 HydrophobicContact CG1-CE2 4.02Å; A975-Y991 HydrophobicContact CB-CE1 4.08Å; A975-Y991 VanDerWaalsContact CB-OH 3.25Å; A975-Y991 WeakPolarHBondContact CB-OH 3.47Å; H981-Y991 AromaticContact ND1-CE2 3.92Å; H981-Y991 AromaticContact ND1-CZ 3.87Å; H981-Y991 PolarHBondContact ND1-OH 3.44Å; I984-Y991 HydrophobicContact CD1-CD1 4.28Å; I984-Y991 HydrophobicContact CD1-CE1 3.77Å; I984-Y991 HydrophobicContact CG2-CD1 3.82Å; I984-Y991 HydrophobicContact CG2-CD2 3.67Å; I984-Y991 HydrophobicContact CG2-CE1 4.01Å; I984-Y991 HydrophobicContact CG2-CE2 3.89Å; I984-Y991 HydrophobicContact CG2-CG 3.64Å; E989-Y991 PolarHBondContact O-N 3.47Å; Y991-T993 VanDerWaalsContact C-N 3.29Å |
| 992 | E | 93.5 | Very high | 84.3 | Confident | 75 Ų | 75 | 78.3 Ų | 78.3 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -82.1 | -9.5 | 174.3 | -57.3 | -50.7 | 139.5 | 0 | 0 | 112.6 | T952 R954 E989 Q990 K994 | T952-E992 WeakPolarHBondContact CB-O 3.31Å; T952-E992 WeakPolarHBondContact CG2-O 3.3Å; R954-E992 WeakPolarHBondContact CD-OE1 3.37Å; R954-E992 IonicContact CZ-OE1 3.47Å; R954-E992 VanDerWaalsContact CZ-OE1 3.28Å; R954-E992 IonicContact CZ-OE2 2.66Å; R954-E992 IonicContact NE-OE1 2.71Å; R954-E992 IonicContact NE-OE2 3.37Å; R954-E992 IonicContact NH1-OE1 2.72Å; R954-E992 PolarHBondContact NH1-OE1 2.88Å; R954-E992 IonicContact NH1-OE2 3.35Å; R954-E992 PolarHBondContact NH1-OE2 3.39Å; R954-E992 IonicContact NH2-OE2 3.6Å; R954-E992 PolarHBondContact NH2-OE2 3.48Å; E989-E992 WeakPolarHBondContact O-CA 3.28Å; E989-E992 WeakPolarHBondContact O-CB 3.29Å; E989-E992 PolarHBondContact O-N 3.2Å; Q990-E992 VanDerWaalsContact C-N 3.31Å; Q990-E992 PolarHBondContact O-N 2.81Å; E992-K994 PolarHBondContact O-N 2.99Å |
| 993 | T | 92.2 | Very high | 84.1 | Confident | 10 Ų | 10 | 74.9 Ų | 74.9 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | trans | -49.6 | 124.9 | 173.4 | -52.8 | 0 | 0 | 0 | 0 | 110.1 | T952 I953 L987 E989 Q990 Y991 | T952-T993 WeakPolarHBondContact CA-O 3.23Å; I953-T993 PolarHBondContact N-O 2.92Å; L987-T993 WeakPolarHBondContact CB-OG1 3.32Å; L987-T993 HydrophobicContact CD1-CG2 4.22Å; E989-T993 PolarHBondContact O-N 3.39Å; Q990-T993 PolarHBondContact N-OG1 3.48Å; Q990-T993 VanDerWaalsContact O-CB 3.25Å; Q990-T993 WeakPolarHBondContact O-CB 3.28Å; Q990-T993 PolarHBondContact O-N 3.39Å; Q990-T993 PolarHBondContact O-OG1 3.02Å; Y991-T993 VanDerWaalsContact C-N 3.29Å | ||
| 994 | K | 90 | Very high | 83.8 | Confident | 137 Ų | 137 | 74.2 Ų | 74.2 | 60% | 0.596 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 133.2 | 177.9 | -69.2 | 173.3 | -173.9 | 166.4 | 0 | 110.7 | T952 E992 G999 S1000 | T952-K994 HydrophobicContact CG2-CG 4.2Å; E992-K994 PolarHBondContact O-N 2.99Å; K994-G999 CarbonylContact O-C 3.58Å; K994-G999 WeakPolarHBondContact O-CA 3.49Å; K994-S1000 PolarHBondContact O-N 2.98Å; K994-S1000 PolarHBondContact O-OG 3.43Å |
| 995 | V | 88.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.012 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 156.9 | 175.7 | -67.4 | 0 | 0 | 0 | 0 | 108.6 | L948 D950 L951 I953 N956 L1002 | L948-V995 HydrophobicContact CB-CG2 4.48Å; L948-V995 HydrophobicContact CD1-CB 4.45Å; L948-V995 HydrophobicContact CD1-CG2 4.23Å; D950-V995 WeakPolarHBondContact CA-O 3.47Å; L951-V995 PolarHBondContact N-O 3.12Å; L951-V995 PolarHBondContact O-N 2.97Å; I953-V995 HydrophobicContact CD1-CG1 4.03Å; I953-V995 HydrophobicContact CG1-CG1 3.61Å; I953-V995 HydrophobicContact CG1-CG2 4.11Å; N956-V995 WeakPolarHBondContact ND2-CG2 3.18Å; V995-L1002 HydrophobicContact CG1-CD1 3.72Å; V995-L1002 HydrophobicContact CG1-CG 4.1Å |
| 996 | G | 78.1 | Confident | 83.5 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 133.4 | -154.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R998 | G996-R998 VanDerWaalsContact C-N 3.32Š|
| 997 | Q | 68.7 | Low | 83.4 | Confident | 170 Ų | 170 | 72.2 Ų | 72.2 | 79% | 0.794 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -73.5 | -24.5 | 177.7 | -67.6 | -175.1 | 4.4 | 0 | 0 | 112.6 | D950 | D950-Q997 PolarHBondContact OD1-N 3.31Š|
| 998 | R | 58.6 | Low | 83.4 | Confident | 198 Ų | 198 | 71.1 Ų | 71.1 | 75% | 0.747 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -109.2 | -7.8 | 179.1 | -59.6 | -179 | 178 | 137.2 | -2.5 | 114.1 | D950 G996 | D950-R998 WeakPolarHBondContact OD1-CB 3.42Å; D950-R998 PolarHBondContact OD1-N 2.89Å; D950-R998 WeakPolarHBondContact OD2-CD 3.43Å; D950-R998 IonicContact OD2-NH1 2.66Å; G996-R998 VanDerWaalsContact C-N 3.32Å |
| 999 | G | 59.6 | Low | 83.6 | Confident | 24 Ų | 24 | 66 Ų | 66 | 25% | 0.247 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -84.1 | -167.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K994 | K994-G999 CarbonylContact O-C 3.58Å; K994-G999 WeakPolarHBondContact O-CA 3.49Å |
| 1000 | S | 64.4 | Low | 83.8 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -67.6 | 142.6 | 174.7 | 61.3 | 0 | 0 | 0 | 0 | 112 | K994 L1002 | K994-S1000 PolarHBondContact O-N 2.98Å; K994-S1000 PolarHBondContact O-OG 3.43Å; S1000-L1002 PolarHBondContact O-N 3.44Å |
| 1001 | K | 77 | Confident | 83.8 | Confident | 212 Ų | 212 | 55.8 Ų | 55.8 | 92% | 0.922 | 28% | 0.28 | S | S | * | . | trans | -83.2 | 91.7 | 178.2 | -71 | -172.9 | 178.9 | -178.5 | 0 | 110.7 | ||||
| 1002 | L | 84.7 | Confident | 83.7 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | trans | -73 | 149.9 | 170.4 | -60.4 | -173.4 | 0 | 0 | 0 | 112.3 | F983 V995 S1000 Q1006 K1007 I1010 | F983-L1002 HydrophobicContact CE1-CD2 3.74Å; F983-L1002 HydrophobicContact CZ-CD2 3.85Å; V995-L1002 HydrophobicContact CG1-CD1 3.72Å; V995-L1002 HydrophobicContact CG1-CG 4.1Å; S1000-L1002 PolarHBondContact O-N 3.44Å; L1002-Q1006 HydrophobicContact CB-CB 4.02Å; L1002-K1007 HydrophobicContact CB-CG 3.9Å; L1002-K1007 VanDerWaalsContact O-CE 3.3Å; L1002-K1007 WeakPolarHBondContact O-CE 3.32Å; L1002-I1010 HydrophobicContact CD1-CD1 3.36Å | ||
| 1003 | S | 86.2 | Confident | 83.8 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | trans | -68.3 | 166 | 172.3 | 82.8 | 0 | 0 | 0 | 0 | 112.3 | G1005 Q1006 K1007 | S1003-G1005 PolarHBondContact O-N 3.03Å; S1003-Q1006 PolarHBondContact O-N 3.42Å; S1003-Q1006 VanDerWaalsContact OG-CG 3.32Å; S1003-Q1006 WeakPolarHBondContact OG-CG 3.47Å; S1003-Q1006 PolarHBondContact OG-N 3.42Å; S1003-K1007 WeakPolarHBondContact O-CG 3.4Å; S1003-K1007 PolarHBondContact O-N 2.96Å | ||
| 1004 | G | 85.4 | Confident | 83.9 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -53.4 | -54 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1006 K1007 Q1008 | G1004-Q1006 VanDerWaalsContact C-N 3.31Å; G1004-Q1006 PolarHBondContact O-N 2.92Å; G1004-K1007 PolarHBondContact O-N 3.49Å; G1004-Q1008 WeakPolarHBondContact O-CB 3.48Å; G1004-Q1008 PolarHBondContact O-N 3.47Å |
| 1005 | G | 88.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.9 | -24.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1003 R1009 L1032 | S1003-G1005 PolarHBondContact O-N 3.03Å; G1005-R1009 WeakPolarHBondContact O-CG 3.49Å; G1005-R1009 PolarHBondContact O-N 3.38Å; G1005-R1009 VanDerWaalsContact O-N 3.12Å; G1005-R1009 PolarHBondContact O-NE 3.06Å; G1005-L1032 VanDerWaalsContact N-CD2 3.32Å |
| 1006 | Q | 90.6 | Very high | 84.3 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.1 | -46.9 | 171.3 | -72.5 | 163.7 | 1.4 | 0 | 0 | 111 | I980 F983 L1002 S1003 G1004 Q1008 R1009 I1010 | I980-Q1006 HydrophobicContact CD1-CB 4.38Å; I980-Q1006 HydrophobicContact CD1-CG 4.36Å; F983-Q1006 HydrophobicContact CD1-CG 4.3Å; F983-Q1006 HydrophobicContact CE1-CB 4.45Å; F983-Q1006 HydrophobicContact CE1-CG 4.02Å; F983-Q1006 VanDerWaalsContact CE2-NE2 3.27Å; F983-Q1006 HydrophobicContact CZ-CG 4.14Å; L1002-Q1006 HydrophobicContact CB-CB 4.02Å; S1003-Q1006 PolarHBondContact O-N 3.42Å; S1003-Q1006 VanDerWaalsContact OG-CG 3.32Å; S1003-Q1006 WeakPolarHBondContact OG-CG 3.47Å; S1003-Q1006 PolarHBondContact OG-N 3.42Å; G1004-Q1006 VanDerWaalsContact C-N 3.31Å; G1004-Q1006 PolarHBondContact O-N 2.92Å; Q1006-Q1008 VanDerWaalsContact C-N 3.28Å; Q1006-Q1008 PolarHBondContact O-N 3.03Å; Q1006-R1009 PolarHBondContact O-N 3.35Å; Q1006-I1010 WeakPolarHBondContact O-CG1 3.37Å; Q1006-I1010 PolarHBondContact O-N 3.38Å; Q1006-I1010 VanDerWaalsContact O-N 3.12Å |
| 1007 | K | 90.3 | Very high | 85 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 38% | 0.378 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 174.2 | -64.1 | 174.5 | -176 | 172.9 | 0 | 111.6 | P946 L948 L1002 S1003 G1004 I1010 A1011 | P946-K1007 HydrophobicContact CB-CB 4.46Å; P946-K1007 HydrophobicContact CG-CB 3.68Å; L948-K1007 HydrophobicContact CD1-CB 4.18Å; L948-K1007 HydrophobicContact CD1-CG 3.97Å; L1002-K1007 HydrophobicContact CB-CG 3.9Å; L1002-K1007 VanDerWaalsContact O-CE 3.3Å; L1002-K1007 WeakPolarHBondContact O-CE 3.32Å; S1003-K1007 WeakPolarHBondContact O-CG 3.4Å; S1003-K1007 PolarHBondContact O-N 2.96Å; G1004-K1007 PolarHBondContact O-N 3.49Å; K1007-I1010 PolarHBondContact O-N 3.27Å; K1007-A1011 PolarHBondContact O-N 2.66Å |
| 1008 | Q | 90.9 | Very high | 85.9 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.3 | -41.4 | -178.2 | -165 | 68.4 | -52.5 | 0 | 0 | 111.8 | V942 S943 P946 G1004 Q1006 I1010 A1011 I1012 A1028 V1040 | V942-Q1008 HydrophobicContact CG1-CG 4.33Å; S943-Q1008 PolarHBondContact O-NE2 3.22Å; S943-Q1008 PolarHBondContact O-OE1 2.74Å; P946-Q1008 HydrophobicContact CG-CB 4.34Å; G1004-Q1008 WeakPolarHBondContact O-CB 3.48Å; G1004-Q1008 PolarHBondContact O-N 3.47Å; Q1006-Q1008 VanDerWaalsContact C-N 3.28Å; Q1006-Q1008 PolarHBondContact O-N 3.03Å; Q1008-I1010 VanDerWaalsContact C-N 3.32Å; Q1008-I1010 PolarHBondContact O-N 2.96Å; Q1008-A1011 CarbonylContact O-C 3.39Å; Q1008-A1011 WeakPolarHBondContact O-CA 3.43Å; Q1008-A1011 WeakPolarHBondContact O-CB 3.37Å; Q1008-A1011 PolarHBondContact O-N 3.43Å; Q1008-I1012 WeakPolarHBondContact O-CG1 3.37Å; Q1008-I1012 PolarHBondContact O-N 3.3Å; Q1008-A1028 PolarHBondContact NE2-O 3.35Å; Q1008-V1040 HydrophobicContact CB-CG2 4.31Å; Q1008-V1040 HydrophobicContact CG-CG1 4.08Å |
| 1009 | R | 92.6 | Very high | 87.4 | Confident | 26 Ų | 26 | 33.3 Ų | 33.3 | 10% | 0.098 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62 | -35.6 | 170.5 | -73.1 | -179.8 | -85.8 | 176 | -12.9 | 113.5 | A978 N979 I980 G1005 Q1006 A1011 I1012 A1013 V1040 | A978-R1009 WeakPolarHBondContact CB-O 3.32Å; A978-R1009 WeakPolarHBondContact O-CB 3.39Å; A978-R1009 WeakPolarHBondContact O-CD 3.35Å; A978-R1009 WeakPolarHBondContact O-CG 3.37Å; N979-R1009 WeakPolarHBondContact O-CD 3.47Å; N979-R1009 PolarHBondContact O-NH1 3.37Å; I980-R1009 HydrophobicContact CB-CB 3.79Å; I980-R1009 HydrophobicContact CD1-CB 4.05Å; I980-R1009 HydrophobicContact CG1-CB 4.07Å; I980-R1009 HydrophobicContact CG2-CB 4.34Å; G1005-R1009 WeakPolarHBondContact O-CG 3.49Å; G1005-R1009 PolarHBondContact O-N 3.38Å; G1005-R1009 VanDerWaalsContact O-N 3.12Å; G1005-R1009 PolarHBondContact O-NE 3.06Å; Q1006-R1009 PolarHBondContact O-N 3.35Å; R1009-A1011 VanDerWaalsContact C-N 3.31Å; R1009-A1011 PolarHBondContact O-N 2.92Å; R1009-I1012 PolarHBondContact O-N 3.42Å; R1009-A1013 PolarHBondContact O-N 2.89Å; R1009-V1040 HydrophobicContact CG-CG2 4.01Å |
| 1010 | I | 93.4 | Very high | 89 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -36.2 | 171.3 | -66.6 | 173 | 0 | 0 | 0 | 111.2 | L948 I953 N956 I957 I980 L1002 Q1006 K1007 Q1008 A1013 R1014 | L948-I1010 HydrophobicContact CD1-CD1 4.31Å; L948-I1010 HydrophobicContact CD1-CG2 4.32Å; L948-I1010 HydrophobicContact CD2-CB 4.35Å; L948-I1010 HydrophobicContact CD2-CG2 3.66Å; I953-I1010 HydrophobicContact CD1-CD1 4.46Å; I953-I1010 HydrophobicContact CG1-CD1 4.3Å; I953-I1010 HydrophobicContact CG2-CD1 4.24Å; N956-I1010 HydrophobicContact CB-CG2 4.43Å; I957-I1010 HydrophobicContact CG1-CG2 4.02Å; I980-I1010 HydrophobicContact CG1-CG1 4.18Å; L1002-I1010 HydrophobicContact CD1-CD1 3.36Å; Q1006-I1010 WeakPolarHBondContact O-CG1 3.37Å; Q1006-I1010 PolarHBondContact O-N 3.38Å; Q1006-I1010 VanDerWaalsContact O-N 3.12Å; K1007-I1010 PolarHBondContact O-N 3.27Å; Q1008-I1010 VanDerWaalsContact C-N 3.32Å; Q1008-I1010 PolarHBondContact O-N 2.96Å; I1010-A1013 PolarHBondContact O-N 3.17Å; I1010-R1014 WeakPolarHBondContact O-CB 3.16Å; I1010-R1014 PolarHBondContact O-N 2.81Å |
| 1011 | A | 92.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.7 | -37.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | V942 P946 K1007 Q1008 R1009 R1014 A1015 | V942-A1011 HydrophobicContact CG1-CB 4.48Å; P946-A1011 HydrophobicContact CB-CB 3.62Å; K1007-A1011 PolarHBondContact O-N 2.66Å; Q1008-A1011 CarbonylContact O-C 3.39Å; Q1008-A1011 WeakPolarHBondContact O-CA 3.43Å; Q1008-A1011 WeakPolarHBondContact O-CB 3.37Å; Q1008-A1011 PolarHBondContact O-N 3.43Å; R1009-A1011 VanDerWaalsContact C-N 3.31Å; R1009-A1011 PolarHBondContact O-N 2.92Å; A1011-R1014 PolarHBondContact O-N 3.49Å; A1011-A1015 WeakPolarHBondContact O-CB 3.15Å; A1011-A1015 PolarHBondContact O-N 3.13Å |
| 1012 | I | 93.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -48.2 | 171.5 | -63.9 | 165.4 | 0 | 0 | 0 | 110.1 | V942 A978 Q1008 R1009 R1014 A1015 L1016 V1040 A1043 L1044 A1047 | V942-I1012 HydrophobicContact CG1-CG1 4.13Å; V942-I1012 HydrophobicContact CG2-CG1 4.01Å; A978-I1012 HydrophobicContact CB-CB 4.01Å; A978-I1012 HydrophobicContact CB-CG2 3.79Å; Q1008-I1012 WeakPolarHBondContact O-CG1 3.37Å; Q1008-I1012 PolarHBondContact O-N 3.3Å; R1009-I1012 PolarHBondContact O-N 3.42Å; I1012-R1014 PolarHBondContact O-N 3.22Å; I1012-A1015 WeakPolarHBondContact O-CB 3.46Å; I1012-A1015 PolarHBondContact O-N 3.2Å; I1012-A1015 VanDerWaalsContact O-N 3.09Å; I1012-L1016 HydrophobicContact CG2-CD1 3.89Å; I1012-L1016 HydrophobicContact CG2-CG 4.32Å; I1012-L1016 WeakPolarHBondContact O-CB 3.16Å; I1012-L1016 WeakPolarHBondContact O-CG 3.29Å; I1012-L1016 PolarHBondContact O-N 2.93Å; I1012-V1040 HydrophobicContact CD1-CG1 4.21Å; I1012-A1043 HydrophobicContact CD1-CB 4.19Å; I1012-L1044 HydrophobicContact CD1-CD2 3.5Å; I1012-L1044 VanDerWaalsContact CD1-CD2 3.5Å; I1012-L1044 HydrophobicContact CD1-CG 3.79Å; I1012-L1044 HydrophobicContact CG1-CD2 3.74Å; I1012-A1047 HydrophobicContact CG2-CB 4.15Å |
| 1013 | A | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.4 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I957 A974 A978 R1009 I1010 A1015 L1016 V1017 | I957-A1013 HydrophobicContact CD1-CB 4.12Å; I957-A1013 HydrophobicContact CG1-CB 4.09Å; I957-A1013 HydrophobicContact CG2-CB 4.17Å; A974-A1013 HydrophobicContact CB-CB 4.39Å; A978-A1013 HydrophobicContact CB-CB 3.83Å; R1009-A1013 PolarHBondContact O-N 2.89Å; I1010-A1013 PolarHBondContact O-N 3.17Å; A1013-A1015 VanDerWaalsContact C-N 3.3Å; A1013-A1015 PolarHBondContact O-N 3.12Å; A1013-L1016 PolarHBondContact O-N 3.48Å; A1013-L1016 VanDerWaalsContact O-N 3.13Å; A1013-V1017 WeakPolarHBondContact O-CG2 3.36Å; A1013-V1017 PolarHBondContact O-N 2.99Å |
| 1014 | R | 94.4 | Very high | 91.8 | Very high | 6 Ų | 6 | 19.6 Ų | 19.6 | 2% | 0.023 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58 | -38 | 174 | 175.3 | 174.5 | 56 | -167.7 | -2 | 112.7 | F82 T947 N956 G960 I1010 A1011 I1012 | F82-R1014 HydrophobicContact CD1-CG 4.49Å; F82-R1014 HydrophobicContact CE1-CG 3.97Å; F82-R1014 HydrophobicContact CE2-CG 4.26Å; F82-R1014 HydrophobicContact CZ-CG 3.85Å; T947-R1014 VanDerWaalsContact O-CZ 3.3Å; T947-R1014 PolarHBondContact O-NH1 3.46Å; T947-R1014 PolarHBondContact O-NH2 2.9Å; N956-R1014 WeakPolarHBondContact O-CD 3.14Å; G960-R1014 WeakPolarHBondContact CA-O 3.49Å; I1010-R1014 WeakPolarHBondContact O-CB 3.16Å; I1010-R1014 PolarHBondContact O-N 2.81Å; A1011-R1014 PolarHBondContact O-N 3.49Å; I1012-R1014 PolarHBondContact O-N 3.22Å |
| 1015 | A | 93.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 2% | 0.017 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70.6 | -38.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V942 A1011 I1012 A1013 P1020 L1023 | V942-A1015 HydrophobicContact CG2-CB 4Å; A1011-A1015 WeakPolarHBondContact O-CB 3.15Å; A1011-A1015 PolarHBondContact O-N 3.13Å; I1012-A1015 WeakPolarHBondContact O-CB 3.46Å; I1012-A1015 PolarHBondContact O-N 3.2Å; I1012-A1015 VanDerWaalsContact O-N 3.09Å; A1013-A1015 VanDerWaalsContact C-N 3.3Å; A1013-A1015 PolarHBondContact O-N 3.12Å; A1015-P1020 VanDerWaalsContact O-CD 3.3Å; A1015-P1020 WeakPolarHBondContact O-CD 3.28Å; A1015-L1023 HydrophobicContact CB-CD1 4.38Å |
| 1016 | L | 93.2 | Very high | 92.3 | Very high | 12 Ų | 12 | 19.1 Ų | 19.1 | 6% | 0.063 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -75 | -30.2 | -177.7 | -73.1 | 176.6 | 0 | 0 | 0 | 114.4 | A974 A977 I1012 A1013 R1018 K1019 A1047 | A974-L1016 HydrophobicContact CB-CB 4.26Å; A977-L1016 HydrophobicContact CB-CD1 3.79Å; I1012-L1016 HydrophobicContact CG2-CD1 3.89Å; I1012-L1016 HydrophobicContact CG2-CG 4.32Å; I1012-L1016 WeakPolarHBondContact O-CB 3.16Å; I1012-L1016 WeakPolarHBondContact O-CG 3.29Å; I1012-L1016 PolarHBondContact O-N 2.93Å; A1013-L1016 PolarHBondContact O-N 3.48Å; A1013-L1016 VanDerWaalsContact O-N 3.13Å; L1016-R1018 PolarHBondContact O-N 3.36Å; L1016-R1018 VanDerWaalsContact O-N 3.15Å; L1016-K1019 WeakPolarHBondContact O-CA 3.42Å; L1016-K1019 PolarHBondContact O-N 3.28Å; L1016-A1047 HydrophobicContact CD1-CB 4.12Å; L1016-A1047 HydrophobicContact CD2-CB 3.98Å; L1016-A1047 HydrophobicContact CG-CB 4.35Å |
| 1017 | V | 92.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -40.9 | 179.3 | 155.7 | 0 | 0 | 0 | 0 | 113.2 | I957 D961 V966 A974 A1013 K1019 | I957-V1017 HydrophobicContact CG2-CG2 3.49Å; I957-V1017 VanDerWaalsContact CG2-CG2 3.49Å; D961-V1017 HydrophobicContact CB-CG1 4.29Å; V966-V1017 HydrophobicContact CB-CG1 4.44Å; V966-V1017 HydrophobicContact CG1-CG1 3.71Å; V966-V1017 HydrophobicContact CG2-CG1 3.87Å; A974-V1017 HydrophobicContact CB-CG2 3.59Å; A1013-V1017 WeakPolarHBondContact O-CG2 3.36Å; A1013-V1017 PolarHBondContact O-N 2.99Å; V1017-K1019 PolarHBondContact O-N 3Å |
| 1018 | R | 88.2 | Confident | 91.7 | Very high | 33 Ų | 33 | 14.6 Ų | 14.6 | 13% | 0.125 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 9.7 | -179.4 | -151.8 | 175.5 | 69.7 | -119.2 | 164.7 | 113.7 | R936 K937 I939 G960 D961 L1016 | R936-R1018 PolarHBondContact O-NH1 3.5Å; K937-R1018 VanDerWaalsContact O-CZ 3.25Å; K937-R1018 PolarHBondContact O-NE 3.43Å; K937-R1018 PolarHBondContact O-NH1 2.8Å; I939-R1018 PolarHBondContact O-NH1 2.94Å; G960-R1018 WeakPolarHBondContact O-CD 3.44Å; G960-R1018 PolarHBondContact O-NH2 3.49Å; D961-R1018 HydrophobicContact CB-CB 4.03Å; D961-R1018 HydrophobicContact CB-CG 3.69Å; L1016-R1018 PolarHBondContact O-N 3.36Å; L1016-R1018 VanDerWaalsContact O-N 3.15Å |
| 1019 | K | 89.8 | Confident | 91.4 | Very high | 106 Ų | 106 | 14.5 Ų | 14.5 | 46% | 0.461 | 7% | 0.07 | S | C | . | . | trans | 42.2 | 59.3 | 177.7 | -54 | -167.4 | -174.8 | -165.9 | 0 | 112.6 | E973 L1016 V1017 | E973-K1019 IonicContact OE1-NZ 2.65Å; E973-K1019 PolarHBondContact OE1-NZ 3.49Å; E973-K1019 IonicContact OE2-NZ 2.66Å; E973-K1019 PolarHBondContact OE2-NZ 2.93Å; L1016-K1019 WeakPolarHBondContact O-CA 3.42Å; L1016-K1019 PolarHBondContact O-N 3.28Å; V1017-K1019 PolarHBondContact O-N 3Å | ||
| 1020 | P | 91.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 4% | 0.039 | 7% | 0.073 | C | C | . | . | trans | -69 | 156 | -169.7 | 30.7 | -37.9 | 0 | 0 | 0 | 113.3 | Q938 G940 A1015 R1051 | Q938-P1020 WeakPolarHBondContact O-CB 3.35Å; G940-P1020 VanDerWaalsContact N-CB 3.33Å; A1015-P1020 VanDerWaalsContact O-CD 3.3Å; A1015-P1020 WeakPolarHBondContact O-CD 3.28Å; P1020-R1051 WeakPolarHBondContact O-CD 3.23Å | ||
| 1021 | V | 92.1 | Very high | 89.4 | Confident | 45 Ų | 45 | 19.3 Ų | 19.3 | 27% | 0.273 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -87.4 | -32.8 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | F853 Q938 T1052 | F853-V1021 HydrophobicContact CD1-CB 4.03Å; F853-V1021 HydrophobicContact CD1-CG1 3.8Å; F853-V1021 HydrophobicContact CE1-CG1 4.3Å; Q938-V1021 PolarHBondContact O-N 3.31Å; Q938-V1021 VanDerWaalsContact O-N 3.16Å; V1021-T1052 PolarHBondContact O-N 3Å; V1021-T1052 VanDerWaalsContact O-N 3.15Å |
| 1022 | L | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.9 | 173.7 | 177.7 | 63.4 | 0 | 0 | 0 | 110 | F853 I857 V905 F922 Q938 I939 G940 V1024 T1052 L1054 | F853-L1022 HydrophobicContact CE1-CB 4.21Å; I857-L1022 HydrophobicContact CD1-CD1 3.64Å; I857-L1022 HydrophobicContact CD1-CD2 3.48Å; I857-L1022 VanDerWaalsContact CD1-CD2 3.48Å; I857-L1022 HydrophobicContact CD1-CG 4.17Å; V905-L1022 HydrophobicContact CG1-CD2 3.58Å; F922-L1022 HydrophobicContact CZ-CD2 4.38Å; Q938-L1022 PolarHBondContact O-N 2.91Å; I939-L1022 CarbonylContact C-O 3.51Å; I939-L1022 WeakPolarHBondContact CA-O 3.03Å; I939-L1022 HydrophobicContact CD1-CD2 4.31Å; I939-L1022 HydrophobicContact CG1-CB 4.46Å; I939-L1022 HydrophobicContact CG1-CD2 4.02Å; I939-L1022 HydrophobicContact CG2-CD2 4.34Å; I939-L1022 HydrophobicContact CG2-CG 4.46Å; G940-L1022 PolarHBondContact N-O 3.07Å; L1022-V1024 HydrophobicContact CD2-CG2 4.02Å; L1022-V1024 HydrophobicContact CG-CG2 4.04Å; L1022-T1052 CarbonylContact C-O 3.59Å; L1022-T1052 VanDerWaalsContact CA-O 3.3Å; L1022-T1052 WeakPolarHBondContact CA-O 3.39Å; L1022-T1052 HydrophobicContact CD1-CG2 4.05Å; L1022-T1052 WeakPolarHBondContact CD1-O 3.43Å; L1022-L1054 HydrophobicContact CD1-CD1 4.35Å; L1022-L1054 HydrophobicContact CD1-CG 4.39Å |
| 1023 | L | 93.9 | Very high | 88.3 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.8 | 167 | -166.9 | 62.4 | 0 | 0 | 0 | 109.3 | A1015 L1025 A1047 M1048 T1052 S1053 L1054 | A1015-L1023 HydrophobicContact CB-CD1 4.38Å; L1023-L1025 HydrophobicContact CD1-CD2 4.24Å; L1023-L1025 HydrophobicContact CD2-CD1 4.38Å; L1023-L1025 HydrophobicContact CD2-CD2 3.98Å; L1023-L1025 HydrophobicContact CD2-CG 4.33Å; L1023-L1025 HydrophobicContact CG-CD2 3.79Å; L1023-L1025 HydrophobicContact CG-CG 4.17Å; L1023-A1047 HydrophobicContact CD2-CB 3.89Å; L1023-M1048 HydrophobicContact CD2-CG 3.95Å; L1023-T1052 PolarHBondContact N-O 3.14Å; L1023-S1053 WeakPolarHBondContact O-CA 3.49Å; L1023-L1054 PolarHBondContact O-N 3.37Å |
| 1024 | V | 93.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 116 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 108.2 | L902 V905 I939 G940 L941 V942 L1022 L1054 | L902-V1024 HydrophobicContact CB-CG1 3.92Å; L902-V1024 HydrophobicContact CD1-CG1 3.79Å; L902-V1024 HydrophobicContact CD2-CG1 4.05Å; L902-V1024 HydrophobicContact CG-CG1 4.12Å; V905-V1024 HydrophobicContact CG1-CG2 4.44Å; I939-V1024 HydrophobicContact CG2-CB 4.05Å; I939-V1024 HydrophobicContact CG2-CG2 3.55Å; G940-V1024 PolarHBondContact O-N 3.38Å; L941-V1024 HydrophobicContact CD1-CB 4.23Å; L941-V1024 HydrophobicContact CD1-CG1 3.73Å; V942-V1024 PolarHBondContact N-O 2.96Å; L1022-V1024 HydrophobicContact CD2-CG2 4.02Å; L1022-V1024 HydrophobicContact CG-CG2 4.04Å; V1024-L1054 WeakPolarHBondContact CA-O 3.43Å; V1024-L1054 HydrophobicContact CG2-CB 4.47Å |
| 1025 | L | 92.2 | Very high | 87 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 113.2 | -178.7 | -53.3 | -178.4 | 0 | 0 | 0 | 108.6 | V942 L1023 A1028 L1044 M1048 L1054 V1055 V1056 | V942-L1025 HydrophobicContact CB-CD2 3.66Å; V942-L1025 HydrophobicContact CG2-CD2 3.7Å; L1023-L1025 HydrophobicContact CD1-CD2 4.24Å; L1023-L1025 HydrophobicContact CD2-CD1 4.38Å; L1023-L1025 HydrophobicContact CD2-CD2 3.98Å; L1023-L1025 HydrophobicContact CD2-CG 4.33Å; L1023-L1025 HydrophobicContact CG-CD2 3.79Å; L1023-L1025 HydrophobicContact CG-CG 4.17Å; L1025-A1028 HydrophobicContact CB-CB 4.34Å; L1025-L1044 HydrophobicContact CD1-CB 4.48Å; L1025-L1044 HydrophobicContact CD1-CD1 4.44Å; L1025-L1044 HydrophobicContact CD1-CD2 3.86Å; L1025-L1044 HydrophobicContact CD1-CG 4.49Å; L1025-L1044 HydrophobicContact CD2-CD2 3.65Å; L1025-L1044 HydrophobicContact CG-CD2 4.41Å; L1025-M1048 HydrophobicContact CD1-CG 4.2Å; L1025-M1048 HydrophobicContact CD1-SD 3.93Å; L1025-L1054 PolarHBondContact N-O 2.98Å; L1025-V1055 HydrophobicContact CB-CG1 4.23Å; L1025-V1055 HydrophobicContact CD1-CG1 4.38Å; L1025-V1055 HydrophobicContact CD1-CG2 4.07Å; L1025-V1056 PolarHBondContact O-N 3.13Å |
| 1026 | D | 90.6 | Very high | 86.6 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 93.2 | -177.7 | -159.8 | 9.4 | 0 | 0 | 0 | 109.5 | S899 L902 V942 S943 Q944 A1028 | S899-D1026 WeakPolarHBondContact CB-OD1 3.04Å; S899-D1026 WeakPolarHBondContact CB-OD2 3.47Å; S899-D1026 PolarHBondContact OG-OD1 3.46Å; L902-D1026 HydrophobicContact CD1-CB 3.65Å; V942-D1026 PolarHBondContact O-N 3.08Å; S943-D1026 CarbonylContact C-O 3.5Å; Q944-D1026 VanDerWaalsContact CA-O 3.29Å; Q944-D1026 WeakPolarHBondContact CA-O 3.47Å; Q944-D1026 WeakPolarHBondContact CB-O 3.35Å; Q944-D1026 PolarHBondContact N-O 2.96Å; D1026-A1028 VanDerWaalsContact C-N 3.26Å; D1026-A1028 PolarHBondContact O-N 3.34Å |
| 1027 | E | 86.5 | Confident | 86.1 | Confident | 25 Ų | 25 | 37 Ų | 37 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 52.6 | 37.8 | -178 | -59.6 | -170.4 | 167.5 | 0 | 0 | 114.1 | K898 Q944 T1029 S1030 V1056 | K898-E1027 VanDerWaalsContact CE-OE1 3.22Å; K898-E1027 WeakPolarHBondContact CE-OE1 3.32Å; K898-E1027 IonicContact NZ-OE1 3.49Å; K898-E1027 PolarHBondContact NZ-OE1 3.37Å; Q944-E1027 HydrophobicContact CB-CB 4.38Å; Q944-E1027 PolarHBondContact NE2-OE2 3.38Å; E1027-T1029 VanDerWaalsContact C-N 3.26Å; E1027-T1029 PolarHBondContact O-N 3.48Å; E1027-T1029 VanDerWaalsContact O-N 3.07Å; E1027-S1030 WeakPolarHBondContact O-CB 3.45Å; E1027-S1030 PolarHBondContact O-N 3.35Å; E1027-S1030 PolarHBondContact O-OG 2.87Å; E1027-V1056 VanDerWaalsContact CA-O 3.26Å; E1027-V1056 WeakPolarHBondContact CA-O 3.44Å; E1027-V1056 HydrophobicContact CG-CB 4.39Å; E1027-V1056 HydrophobicContact CG-CG1 3.65Å; E1027-V1056 PolarHBondContact N-O 2.92Å |
| 1028 | A | 83.1 | Confident | 85.8 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | V942 Q1008 L1025 D1026 L1044 | V942-A1028 HydrophobicContact CG1-CB 3.94Å; Q1008-A1028 PolarHBondContact NE2-O 3.35Å; L1025-A1028 HydrophobicContact CB-CB 4.34Å; D1026-A1028 VanDerWaalsContact C-N 3.26Å; D1026-A1028 PolarHBondContact O-N 3.34Å; A1028-L1044 HydrophobicContact CB-CD1 3.99Å |
| 1029 | T | 83.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -5 | 174.9 | 42.9 | 0 | 0 | 0 | 0 | 114 | E1027 E1037 V1040 L1044 T1062 | E1027-T1029 VanDerWaalsContact C-N 3.26Å; E1027-T1029 PolarHBondContact O-N 3.48Å; E1027-T1029 VanDerWaalsContact O-N 3.07Å; T1029-E1037 HydrophobicContact CG2-CG 4.39Å; T1029-V1040 HydrophobicContact CG2-CG1 4.34Å; T1029-L1044 HydrophobicContact CG2-CD1 4.08Å; T1029-T1062 PolarHBondContact OG1-OG1 3.46Å |
| 1030 | S | 74 | Confident | 85.7 | Confident | 25 Ų | 25 | 39.1 Ų | 39.1 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 154.4 | 179.4 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | Q944 E1027 L1032 | Q944-S1030 WeakPolarHBondContact CG-OG 3.37Å; Q944-S1030 PolarHBondContact NE2-OG 3.22Å; E1027-S1030 WeakPolarHBondContact O-CB 3.45Å; E1027-S1030 PolarHBondContact O-N 3.35Å; E1027-S1030 PolarHBondContact O-OG 2.87Å; S1030-L1032 PolarHBondContact O-N 3.21Å; S1030-L1032 VanDerWaalsContact O-N 3.15Å |
| 1031 | A | 71.2 | Confident | 85.4 | Confident | 103 Ų | 103 | 40 Ų | 40 | 85% | 0.851 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 19.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1032 | L | 79.8 | Confident | 85.2 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | trans | -96 | 147.3 | 170.7 | -59.7 | -176.3 | 0 | 0 | 0 | 112 | G1005 S1030 E1037 V1040 | G1005-L1032 VanDerWaalsContact N-CD2 3.32Å; S1030-L1032 PolarHBondContact O-N 3.21Å; S1030-L1032 VanDerWaalsContact O-N 3.15Å; L1032-E1037 HydrophobicContact CB-CB 4.05Å; L1032-V1040 HydrophobicContact CD1-CB 3.84Å; L1032-V1040 HydrophobicContact CD1-CG1 3.91Å; L1032-V1040 HydrophobicContact CD1-CG2 3.81Å | ||
| 1033 | D | 82.1 | Confident | 84.9 | Confident | 81 Ų | 81 | 41.9 Ų | 41.9 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | trans | -68.9 | 148 | 160.9 | 54 | -76.9 | 0 | 0 | 0 | 111 | E1035 S1036 E1037 | D1033-E1035 PolarHBondContact O-N 3.42Å; D1033-E1035 VanDerWaalsContact O-N 3.07Å; D1033-S1036 VanDerWaalsContact CG-CB 3.47Å; D1033-S1036 VanDerWaalsContact CG-OG 3.24Å; D1033-S1036 PolarHBondContact O-N 2.86Å; D1033-S1036 VanDerWaalsContact O-N 3.11Å; D1033-S1036 VanDerWaalsContact OD1-CB 3.27Å; D1033-S1036 WeakPolarHBondContact OD1-CB 3.37Å; D1033-S1036 PolarHBondContact OD1-OG 3.48Å; D1033-S1036 WeakPolarHBondContact OD2-CB 3.48Å; D1033-S1036 PolarHBondContact OD2-N 2.97Å; D1033-S1036 PolarHBondContact OD2-OG 3.47Å; D1033-E1037 WeakPolarHBondContact O-CB 3.43Å; D1033-E1037 PolarHBondContact O-N 3.45Å | ||
| 1034 | N | 80.3 | Confident | 84.7 | Confident | 121 Ų | 121 | 41.8 Ų | 41.8 | 65% | 0.647 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -59.3 | -26.1 | -170.9 | -59.2 | 11.4 | 0 | 0 | 0 | 114.1 | R1038 | N1034-R1038 PolarHBondContact O-N 3.13Å |
| 1035 | E | 81.9 | Confident | 84.3 | Confident | 140 Ų | 140 | 44.1 Ų | 44.1 | 65% | 0.654 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -75 | -51.7 | 174.6 | -171.7 | -179.4 | 171.5 | 0 | 0 | 111.2 | D1033 E1037 R1038 I1039 | D1033-E1035 PolarHBondContact O-N 3.42Å; D1033-E1035 VanDerWaalsContact O-N 3.07Å; E1035-E1037 VanDerWaalsContact C-N 3.28Å; E1035-E1037 PolarHBondContact O-N 3.35Å; E1035-R1038 PolarHBondContact O-N 3.15Å; E1035-I1039 HydrophobicContact CG-CD1 4.4Å; E1035-I1039 WeakPolarHBondContact O-CG1 3.26Å; E1035-I1039 PolarHBondContact O-N 2.91Å |
| 1036 | S | 84 | Confident | 84 | Confident | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.098 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 174.1 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | D1033 I1039 V1040 | D1033-S1036 VanDerWaalsContact CG-CB 3.47Å; D1033-S1036 VanDerWaalsContact CG-OG 3.24Å; D1033-S1036 PolarHBondContact O-N 2.86Å; D1033-S1036 VanDerWaalsContact O-N 3.11Å; D1033-S1036 VanDerWaalsContact OD1-CB 3.27Å; D1033-S1036 WeakPolarHBondContact OD1-CB 3.37Å; D1033-S1036 PolarHBondContact OD1-OG 3.48Å; D1033-S1036 WeakPolarHBondContact OD2-CB 3.48Å; D1033-S1036 PolarHBondContact OD2-N 2.97Å; D1033-S1036 PolarHBondContact OD2-OG 3.47Å; S1036-I1039 PolarHBondContact O-N 3.19Å; S1036-V1040 WeakPolarHBondContact O-CB 3.43Å; S1036-V1040 VanDerWaalsContact O-CG2 3.26Å; S1036-V1040 WeakPolarHBondContact O-CG2 3.5Å; S1036-V1040 PolarHBondContact O-N 3.36Å |
| 1037 | E | 84.4 | Confident | 83.9 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.5 | -52.8 | 175.7 | 177.9 | -170.7 | -154.2 | 0 | 0 | 110.9 | T1029 L1032 D1033 E1035 I1039 V1040 Q1041 R1059 | T1029-E1037 HydrophobicContact CG2-CG 4.39Å; L1032-E1037 HydrophobicContact CB-CB 4.05Å; D1033-E1037 WeakPolarHBondContact O-CB 3.43Å; D1033-E1037 PolarHBondContact O-N 3.45Å; E1035-E1037 VanDerWaalsContact C-N 3.28Å; E1035-E1037 PolarHBondContact O-N 3.35Å; E1037-I1039 VanDerWaalsContact C-N 3.31Å; E1037-I1039 PolarHBondContact O-N 3.05Å; E1037-V1040 CarbonylContact O-C 3.44Å; E1037-V1040 PolarHBondContact O-N 2.88Å; E1037-V1040 VanDerWaalsContact O-N 3.12Å; E1037-Q1041 WeakPolarHBondContact O-CB 3.48Å; E1037-Q1041 PolarHBondContact O-N 3.1Å; E1037-R1059 WeakPolarHBondContact OE1-CD 3.5Å; E1037-R1059 IonicContact OE1-CZ 3.73Å; E1037-R1059 IonicContact OE1-NE 3.57Å; E1037-R1059 IonicContact OE1-NH1 2.64Å; E1037-R1059 PolarHBondContact OE1-NH1 3.33Å; E1037-R1059 IonicContact OE2-CZ 3.76Å; E1037-R1059 IonicContact OE2-NH1 3.91Å; E1037-R1059 PolarHBondContact OE2-NH1 3.21Å |
| 1038 | R | 85.5 | Confident | 83.8 | Confident | 147 Ų | 147 | 45.2 Ų | 45.2 | 56% | 0.555 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -57.6 | -45.7 | -179.2 | -175.9 | 176.5 | 66.6 | 88.8 | -4.7 | 111.5 | N1034 E1035 V1040 Q1041 E1042 | N1034-R1038 PolarHBondContact O-N 3.13Å; E1035-R1038 PolarHBondContact O-N 3.15Å; R1038-V1040 VanDerWaalsContact C-N 3.31Å; R1038-V1040 PolarHBondContact O-N 2.96Å; R1038-Q1041 PolarHBondContact O-N 3.05Å; R1038-E1042 WeakPolarHBondContact CG-OE1 3.37Å; R1038-E1042 IonicContact CZ-OE1 3.24Å; R1038-E1042 IonicContact NH1-OE1 2.87Å; R1038-E1042 PolarHBondContact NH1-OE1 3.18Å; R1038-E1042 IonicContact NH1-OE2 2.87Å; R1038-E1042 WeakPolarHBondContact O-CB 3.44Å; R1038-E1042 VanDerWaalsContact O-CG 3.31Å; R1038-E1042 WeakPolarHBondContact O-CG 3.31Å; R1038-E1042 PolarHBondContact O-N 3.32Å |
| 1039 | I | 87.1 | Confident | 83.7 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -32.4 | -179.7 | -56.5 | 166.3 | 0 | 0 | 0 | 111.5 | N979 E1035 S1036 E1037 A1043 | N979-I1039 HydrophobicContact CB-CG2 4.34Å; E1035-I1039 HydrophobicContact CG-CD1 4.4Å; E1035-I1039 WeakPolarHBondContact O-CG1 3.26Å; E1035-I1039 PolarHBondContact O-N 2.91Å; S1036-I1039 PolarHBondContact O-N 3.19Å; E1037-I1039 VanDerWaalsContact C-N 3.31Å; E1037-I1039 PolarHBondContact O-N 3.05Å; I1039-A1043 PolarHBondContact O-N 2.89Å |
| 1040 | V | 88.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.5 | -42.5 | 172.3 | 165.9 | 0 | 0 | 0 | 0 | 111.2 | Q1008 R1009 I1012 T1029 L1032 S1036 E1037 R1038 A1043 L1044 | Q1008-V1040 HydrophobicContact CB-CG2 4.31Å; Q1008-V1040 HydrophobicContact CG-CG1 4.08Å; R1009-V1040 HydrophobicContact CG-CG2 4.01Å; I1012-V1040 HydrophobicContact CD1-CG1 4.21Å; T1029-V1040 HydrophobicContact CG2-CG1 4.34Å; L1032-V1040 HydrophobicContact CD1-CB 3.84Å; L1032-V1040 HydrophobicContact CD1-CG1 3.91Å; L1032-V1040 HydrophobicContact CD1-CG2 3.81Å; S1036-V1040 WeakPolarHBondContact O-CB 3.43Å; S1036-V1040 VanDerWaalsContact O-CG2 3.26Å; S1036-V1040 WeakPolarHBondContact O-CG2 3.5Å; S1036-V1040 PolarHBondContact O-N 3.36Å; E1037-V1040 CarbonylContact O-C 3.44Å; E1037-V1040 PolarHBondContact O-N 2.88Å; E1037-V1040 VanDerWaalsContact O-N 3.12Å; R1038-V1040 VanDerWaalsContact C-N 3.31Å; R1038-V1040 PolarHBondContact O-N 2.96Å; V1040-A1043 CarbonylContact O-C 3.57Å; V1040-A1043 WeakPolarHBondContact O-CB 3.32Å; V1040-A1043 PolarHBondContact O-N 3.21Å; V1040-L1044 HydrophobicContact CG1-CD1 3.94Å; V1040-L1044 HydrophobicContact CG1-CG 4.23Å; V1040-L1044 VanDerWaalsContact O-CG 3.32Å; V1040-L1044 WeakPolarHBondContact O-CG 3.34Å; V1040-L1044 PolarHBondContact O-N 3.46Å |
| 1041 | Q | 86.7 | Confident | 84.3 | Confident | 24 Ų | 24 | 55 Ų | 55 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.4 | -172.2 | 67.8 | 56.6 | 0 | 0 | 111.1 | E1037 R1038 A1043 L1044 D1045 T1062 | E1037-Q1041 WeakPolarHBondContact O-CB 3.48Å; E1037-Q1041 PolarHBondContact O-N 3.1Å; R1038-Q1041 PolarHBondContact O-N 3.05Å; Q1041-A1043 VanDerWaalsContact C-N 3.26Å; Q1041-A1043 PolarHBondContact O-N 2.99Å; Q1041-L1044 PolarHBondContact O-N 3.27Å; Q1041-D1045 PolarHBondContact NE2-OD1 3.24Å; Q1041-D1045 PolarHBondContact O-N 3.34Å; Q1041-T1062 VanDerWaalsContact OE1-CB 3.3Å; Q1041-T1062 PolarHBondContact OE1-OG1 2.94Å |
| 1042 | E | 86.7 | Confident | 85.4 | Confident | 85 Ų | 85 | 50.2 Ų | 50.2 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.1 | -39.4 | 173.2 | -73.6 | 166 | -171.2 | 0 | 0 | 111.9 | R1038 A1046 | R1038-E1042 WeakPolarHBondContact CG-OE1 3.37Å; R1038-E1042 IonicContact CZ-OE1 3.24Å; R1038-E1042 IonicContact NH1-OE1 2.87Å; R1038-E1042 PolarHBondContact NH1-OE1 3.18Å; R1038-E1042 IonicContact NH1-OE2 2.87Å; R1038-E1042 WeakPolarHBondContact O-CB 3.44Å; R1038-E1042 VanDerWaalsContact O-CG 3.31Å; R1038-E1042 WeakPolarHBondContact O-CG 3.31Å; R1038-E1042 PolarHBondContact O-N 3.32Å; E1042-A1046 WeakPolarHBondContact O-CB 3.33Å; E1042-A1046 PolarHBondContact O-N 3.37Å |
| 1043 | A | 88.2 | Confident | 86 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.7 | -31.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N979 I1012 I1039 V1040 Q1041 A1047 | N979-A1043 HydrophobicContact CB-CB 4.28Å; I1012-A1043 HydrophobicContact CD1-CB 4.19Å; I1039-A1043 PolarHBondContact O-N 2.89Å; V1040-A1043 CarbonylContact O-C 3.57Å; V1040-A1043 WeakPolarHBondContact O-CB 3.32Å; V1040-A1043 PolarHBondContact O-N 3.21Å; Q1041-A1043 VanDerWaalsContact C-N 3.26Å; Q1041-A1043 PolarHBondContact O-N 2.99Å; A1043-A1047 WeakPolarHBondContact O-CB 3.3Å; A1043-A1047 PolarHBondContact O-N 3.37Å |
| 1044 | L | 88.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.5 | -42.2 | 176.1 | -73.1 | 176.1 | 0 | 0 | 0 | 111.9 | I1012 L1025 A1028 T1029 V1040 Q1041 A1047 M1048 | I1012-L1044 HydrophobicContact CD1-CD2 3.5Å; I1012-L1044 VanDerWaalsContact CD1-CD2 3.5Å; I1012-L1044 HydrophobicContact CD1-CG 3.79Å; I1012-L1044 HydrophobicContact CG1-CD2 3.74Å; L1025-L1044 HydrophobicContact CD1-CB 4.48Å; L1025-L1044 HydrophobicContact CD1-CD1 4.44Å; L1025-L1044 HydrophobicContact CD1-CD2 3.86Å; L1025-L1044 HydrophobicContact CD1-CG 4.49Å; L1025-L1044 HydrophobicContact CD2-CD2 3.65Å; L1025-L1044 HydrophobicContact CG-CD2 4.41Å; A1028-L1044 HydrophobicContact CB-CD1 3.99Å; T1029-L1044 HydrophobicContact CG2-CD1 4.08Å; V1040-L1044 HydrophobicContact CG1-CD1 3.94Å; V1040-L1044 HydrophobicContact CG1-CG 4.23Å; V1040-L1044 VanDerWaalsContact O-CG 3.32Å; V1040-L1044 WeakPolarHBondContact O-CG 3.34Å; V1040-L1044 PolarHBondContact O-N 3.46Å; Q1041-L1044 PolarHBondContact O-N 3.27Å; L1044-A1047 CarbonylContact O-C 3.58Å; L1044-A1047 WeakPolarHBondContact O-CA 3.49Å; L1044-A1047 WeakPolarHBondContact O-CB 3.44Å; L1044-A1047 PolarHBondContact O-N 3.2Å; L1044-A1047 VanDerWaalsContact O-N 3.07Å; L1044-M1048 WeakPolarHBondContact O-CG 3.37Å; L1044-M1048 PolarHBondContact O-N 2.94Å |
| 1045 | D | 86.9 | Confident | 87.1 | Confident | 48 Ų | 48 | 40 Ų | 40 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 177.8 | -74.5 | 14.6 | 0 | 0 | 0 | 110.7 | Q1041 A1047 M1048 G1049 N1065 | Q1041-D1045 PolarHBondContact NE2-OD1 3.24Å; Q1041-D1045 PolarHBondContact O-N 3.34Å; D1045-A1047 VanDerWaalsContact C-N 3.31Å; D1045-A1047 PolarHBondContact O-N 2.93Å; D1045-M1048 PolarHBondContact O-N 3.43Å; D1045-M1048 WeakPolarHBondContact OD1-CE 3.07Å; D1045-G1049 PolarHBondContact O-N 2.86Å; D1045-G1049 VanDerWaalsContact O-N 3.08Å; D1045-N1065 PolarHBondContact OD2-ND2 2.85Å |
| 1046 | A | 86 | Confident | 87.5 | Confident | 64 Ų | 64 | 33.4 Ų | 33.4 | 53% | 0.529 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.8 | -32.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1042 | E1042-A1046 WeakPolarHBondContact O-CB 3.33Å; E1042-A1046 PolarHBondContact O-N 3.37Å |
| 1047 | A | 86.7 | Confident | 87.3 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -75.5 | -33.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1012 L1016 L1023 A1043 L1044 D1045 R1051 | I1012-A1047 HydrophobicContact CG2-CB 4.15Å; L1016-A1047 HydrophobicContact CD1-CB 4.12Å; L1016-A1047 HydrophobicContact CD2-CB 3.98Å; L1016-A1047 HydrophobicContact CG-CB 4.35Å; L1023-A1047 HydrophobicContact CD2-CB 3.89Å; A1043-A1047 WeakPolarHBondContact O-CB 3.3Å; A1043-A1047 PolarHBondContact O-N 3.37Å; L1044-A1047 CarbonylContact O-C 3.58Å; L1044-A1047 WeakPolarHBondContact O-CA 3.49Å; L1044-A1047 WeakPolarHBondContact O-CB 3.44Å; L1044-A1047 PolarHBondContact O-N 3.2Å; L1044-A1047 VanDerWaalsContact O-N 3.07Å; D1045-A1047 VanDerWaalsContact C-N 3.31Å; D1045-A1047 PolarHBondContact O-N 2.93Å; A1047-R1051 WeakPolarHBondContact O-CD 3.34Å; A1047-R1051 PolarHBondContact O-NH1 2.91Å |
| 1048 | M | 85.9 | Confident | 87 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.1 | -66.2 | 175.5 | -70.5 | -174.9 | -66.7 | 0 | 0 | 109.6 | T887 L1023 L1025 L1044 D1045 S1050 R1051 S1053 V1055 | T887-M1048 HydrophobicContact CG2-SD 3.76Å; L1023-M1048 HydrophobicContact CD2-CG 3.95Å; L1025-M1048 HydrophobicContact CD1-CG 4.2Å; L1025-M1048 HydrophobicContact CD1-SD 3.93Å; L1044-M1048 WeakPolarHBondContact O-CG 3.37Å; L1044-M1048 PolarHBondContact O-N 2.94Å; D1045-M1048 PolarHBondContact O-N 3.43Å; D1045-M1048 WeakPolarHBondContact OD1-CE 3.07Å; M1048-S1050 PolarHBondContact O-N 3.28Å; M1048-R1051 VanDerWaalsContact O-CB 3.31Å; M1048-R1051 WeakPolarHBondContact O-CB 3.29Å; M1048-R1051 PolarHBondContact O-N 2.84Å; M1048-S1053 WeakPolarHBondContact CG-OG 3.39Å; M1048-V1055 HydrophobicContact SD-CG2 3.72Å |
| 1049 | G | 80.1 | Confident | 86.4 | Confident | 58 Ų | 58 | 33.5 Ų | 33.5 | 60% | 0.598 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | -110.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1045 | D1045-G1049 PolarHBondContact O-N 2.86Å; D1045-G1049 VanDerWaalsContact O-N 3.08Å |
| 1050 | S | 81.4 | Confident | 85.6 | Confident | 109 Ų | 109 | 32.1 Ų | 32.1 | 76% | 0.762 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 9.7 | 178.3 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | M1048 | M1048-S1050 PolarHBondContact O-N 3.28Š|
| 1051 | R | 90 | Very high | 84.9 | Confident | 70 Ų | 70 | 35.2 Ų | 35.2 | 26% | 0.264 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -90.2 | 147.5 | -179.5 | -57.7 | 178.6 | -177.1 | 80 | 7.1 | 110.1 | P1020 A1047 M1048 S1053 | P1020-R1051 WeakPolarHBondContact O-CD 3.23Å; A1047-R1051 WeakPolarHBondContact O-CD 3.34Å; A1047-R1051 PolarHBondContact O-NH1 2.91Å; M1048-R1051 VanDerWaalsContact O-CB 3.31Å; M1048-R1051 WeakPolarHBondContact O-CB 3.29Å; M1048-R1051 PolarHBondContact O-N 2.84Å; R1051-S1053 PolarHBondContact O-N 3.19Å; R1051-S1053 PolarHBondContact O-OG 3.26Å; R1051-S1053 VanDerWaalsContact O-OG 3.05Å |
| 1052 | T | 93.4 | Very high | 84.3 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 129.7 | 168.7 | -42.6 | 0 | 0 | 0 | 0 | 107.6 | G855 V882 G885 V1021 L1022 L1023 | G855-T1052 WeakPolarHBondContact O-CG2 3.43Å; V882-T1052 HydrophobicContact CG1-CG2 3.49Å; V882-T1052 VanDerWaalsContact CG1-CG2 3.49Å; G885-T1052 PolarHBondContact N-OG1 3.42Å; V1021-T1052 PolarHBondContact O-N 3Å; V1021-T1052 VanDerWaalsContact O-N 3.15Å; L1022-T1052 CarbonylContact C-O 3.59Å; L1022-T1052 VanDerWaalsContact CA-O 3.3Å; L1022-T1052 WeakPolarHBondContact CA-O 3.39Å; L1022-T1052 HydrophobicContact CD1-CG2 4.05Å; L1022-T1052 WeakPolarHBondContact CD1-O 3.43Å; L1023-T1052 PolarHBondContact N-O 3.14Å |
| 1053 | S | 93.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.7 | -170.9 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | Q886 T887 V888 L1023 M1048 R1051 | Q886-S1053 PolarHBondContact O-N 2.88Å; T887-S1053 WeakPolarHBondContact CA-O 3.48Å; V888-S1053 PolarHBondContact N-O 3.1Å; L1023-S1053 WeakPolarHBondContact O-CA 3.49Å; M1048-S1053 WeakPolarHBondContact CG-OG 3.39Å; R1051-S1053 PolarHBondContact O-N 3.19Å; R1051-S1053 PolarHBondContact O-OG 3.26Å; R1051-S1053 VanDerWaalsContact O-OG 3.05Å |
| 1054 | L | 93 | Very high | 83.3 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.4 | 173.8 | -86.4 | 171.8 | 0 | 0 | 0 | 108.9 | I857 V882 V888 L890 L902 V905 L1022 L1023 V1024 L1025 | I857-L1054 HydrophobicContact CD1-CD1 3.68Å; I857-L1054 HydrophobicContact CD1-CG 4.47Å; V882-L1054 HydrophobicContact CG2-CD2 4.07Å; V888-L1054 HydrophobicContact CB-CD2 4.22Å; V888-L1054 HydrophobicContact CG1-CD2 4.49Å; L890-L1054 HydrophobicContact CD1-CD2 4.39Å; L902-L1054 HydrophobicContact CD2-CB 3.84Å; L902-L1054 HydrophobicContact CD2-CD1 4.4Å; V905-L1054 HydrophobicContact CG1-CD1 4.27Å; V905-L1054 HydrophobicContact CG2-CD1 4.1Å; L1022-L1054 HydrophobicContact CD1-CD1 4.35Å; L1022-L1054 HydrophobicContact CD1-CG 4.39Å; L1023-L1054 PolarHBondContact O-N 3.37Å; V1024-L1054 WeakPolarHBondContact CA-O 3.43Å; V1024-L1054 HydrophobicContact CG2-CB 4.47Å; L1025-L1054 PolarHBondContact N-O 2.98Å |
| 1055 | V | 92.2 | Very high | 82.9 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117 | -171.4 | -168.9 | 0 | 0 | 0 | 0 | 109.6 | T887 V888 A889 L890 L1025 M1048 A1057 T1062 | T887-V1055 HydrophobicContact CG2-CG2 4.06Å; V888-V1055 PolarHBondContact O-N 3.35Å; A889-V1055 CarbonylContact C-O 3.56Å; A889-V1055 WeakPolarHBondContact CA-O 3.43Å; L890-V1055 PolarHBondContact N-O 3.26Å; L1025-V1055 HydrophobicContact CB-CG1 4.23Å; L1025-V1055 HydrophobicContact CD1-CG1 4.38Å; L1025-V1055 HydrophobicContact CD1-CG2 4.07Å; M1048-V1055 HydrophobicContact SD-CG2 3.72Å; V1055-A1057 HydrophobicContact CG1-CB 4.36Å; V1055-T1062 HydrophobicContact CG1-CG2 3.98Å |
| 1056 | V | 90.4 | Very high | 82.8 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 124.6 | 160.5 | 178.5 | 0 | 0 | 0 | 0 | 106.9 | L890 K898 L902 L1025 E1027 | L890-V1056 HydrophobicContact CB-CG2 3.98Å; L890-V1056 HydrophobicContact CD1-CG2 4.07Å; K898-V1056 HydrophobicContact CB-CB 4.43Å; K898-V1056 HydrophobicContact CB-CG1 3.55Å; K898-V1056 HydrophobicContact CB-CG2 3.9Å; K898-V1056 HydrophobicContact CD-CG1 4.01Å; K898-V1056 HydrophobicContact CG-CG1 4.39Å; L902-V1056 HydrophobicContact CD1-CB 4.06Å; L902-V1056 HydrophobicContact CD1-CG2 3.41Å; L902-V1056 VanDerWaalsContact CD1-CG2 3.41Å; L902-V1056 HydrophobicContact CD2-CG2 4.22Å; L902-V1056 HydrophobicContact CG-CG2 3.71Å; L1025-V1056 PolarHBondContact O-N 3.13Å; E1027-V1056 VanDerWaalsContact CA-O 3.26Å; E1027-V1056 WeakPolarHBondContact CA-O 3.44Å; E1027-V1056 HydrophobicContact CG-CB 4.39Å; E1027-V1056 HydrophobicContact CG-CG1 3.65Å; E1027-V1056 PolarHBondContact N-O 2.92Å |
| 1057 | A | 79.2 | Confident | 83 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | trans | -132.5 | 151.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1055 T1062 I1063 | V1055-A1057 HydrophobicContact CG1-CB 4.36Å; A1057-T1062 HydrophobicContact CB-CG2 4.07Å; A1057-I1063 HydrophobicContact CB-CD1 3.87Å; A1057-I1063 HydrophobicContact CB-CG1 3.82Å | ||
| 1058 | H | 76.9 | Confident | 83.3 | Confident | 100 Ų | 100 | 40.6 Ų | 40.6 | 46% | 0.463 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -117.8 | 15.1 | 173 | -161.4 | -43.9 | 0 | 0 | 0 | 110.5 | ||
| 1059 | R | 72.9 | Confident | 83.6 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -140 | 127.4 | 173.7 | -67.2 | -172.5 | 176.2 | -161 | 1.6 | 108.2 | E1037 S1061 T1062 E1100 | E1037-R1059 WeakPolarHBondContact OE1-CD 3.5Å; E1037-R1059 IonicContact OE1-CZ 3.73Å; E1037-R1059 IonicContact OE1-NE 3.57Å; E1037-R1059 IonicContact OE1-NH1 2.64Å; E1037-R1059 PolarHBondContact OE1-NH1 3.33Å; E1037-R1059 IonicContact OE2-CZ 3.76Å; E1037-R1059 IonicContact OE2-NH1 3.91Å; E1037-R1059 PolarHBondContact OE2-NH1 3.21Å; R1059-S1061 PolarHBondContact O-N 3.45Å; R1059-T1062 PolarHBondContact O-N 3.16Å; R1059-E1100 WeakPolarHBondContact CA-OE2 3.47Å |
| 1060 | L | 71.5 | Confident | 84.2 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -69.7 | -21.4 | -178 | -71.5 | 159.4 | 0 | 0 | 0 | 113.5 | T1062 I1063 V1064 F1093 H1097 E1100 | L1060-T1062 PolarHBondContact O-N 3.46Å; L1060-I1063 HydrophobicContact CD2-CB 4.4Å; L1060-I1063 HydrophobicContact CD2-CD1 3.87Å; L1060-I1063 HydrophobicContact CG-CD1 4.49Å; L1060-I1063 WeakPolarHBondContact O-CA 3.46Å; L1060-I1063 WeakPolarHBondContact O-CB 3.33Å; L1060-I1063 PolarHBondContact O-N 2.86Å; L1060-V1064 WeakPolarHBondContact O-CG2 3.39Å; L1060-V1064 PolarHBondContact O-N 2.76Å; L1060-V1064 VanDerWaalsContact O-N 3.07Å; L1060-F1093 HydrophobicContact CD2-CD2 4.42Å; L1060-F1093 HydrophobicContact CD2-CE2 3.4Å; L1060-F1093 VanDerWaalsContact CD2-CE2 3.4Å; L1060-F1093 HydrophobicContact CD2-CZ 3.62Å; L1060-H1097 HydrophobicContact CD1-CB 3.97Å; L1060-E1100 HydrophobicContact CD1-CB 3.61Å; L1060-E1100 HydrophobicContact CD1-CG 4.05Å; L1060-E1100 WeakPolarHBondContact CG-OE2 3.21Å; L1060-E1100 PolarHBondContact N-OE2 2.95Å |
| 1061 | S | 73.2 | Confident | 84.6 | Confident | 66 Ų | 66 | 32.3 Ų | 32.3 | 46% | 0.462 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -49.7 | -44 | 169.8 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | R1059 I1063 | R1059-S1061 PolarHBondContact O-N 3.45Å; S1061-I1063 PolarHBondContact O-N 3.03Å |
| 1062 | T | 73.4 | Confident | 84.6 | Confident | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.055 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -70.1 | -16.3 | 175.7 | -51.8 | 0 | 0 | 0 | 0 | 113.3 | T1029 Q1041 V1055 A1057 R1059 L1060 | T1029-T1062 PolarHBondContact OG1-OG1 3.46Å; Q1041-T1062 VanDerWaalsContact OE1-CB 3.3Å; Q1041-T1062 PolarHBondContact OE1-OG1 2.94Å; V1055-T1062 HydrophobicContact CG1-CG2 3.98Å; A1057-T1062 HydrophobicContact CB-CG2 4.07Å; R1059-T1062 PolarHBondContact O-N 3.16Å; L1060-T1062 PolarHBondContact O-N 3.46Å |
| 1063 | I | 79.3 | Confident | 84.3 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -23.6 | -172 | -61.3 | 164.5 | 0 | 0 | 0 | 112.4 | A889 V891 A1057 L1060 S1061 N1065 A1066 V1069 F1093 | A889-I1063 HydrophobicContact CB-CB 4.49Å; A889-I1063 HydrophobicContact CB-CG1 4.15Å; A889-I1063 HydrophobicContact CB-CG2 3.85Å; V891-I1063 HydrophobicContact CG1-CD1 4.06Å; V891-I1063 HydrophobicContact CG2-CD1 3.57Å; V891-I1063 HydrophobicContact CG2-CG1 4.4Å; A1057-I1063 HydrophobicContact CB-CD1 3.87Å; A1057-I1063 HydrophobicContact CB-CG1 3.82Å; L1060-I1063 HydrophobicContact CD2-CB 4.4Å; L1060-I1063 HydrophobicContact CD2-CD1 3.87Å; L1060-I1063 HydrophobicContact CG-CD1 4.49Å; L1060-I1063 WeakPolarHBondContact O-CA 3.46Å; L1060-I1063 WeakPolarHBondContact O-CB 3.33Å; L1060-I1063 PolarHBondContact O-N 2.86Å; S1061-I1063 PolarHBondContact O-N 3.03Å; I1063-N1065 PolarHBondContact O-N 3.04Å; I1063-N1065 VanDerWaalsContact O-N 3.14Å; I1063-A1066 WeakPolarHBondContact O-CB 3.5Å; I1063-A1066 PolarHBondContact O-N 3.38Å; I1063-V1069 HydrophobicContact CG2-CG1 4.43Å; I1063-V1069 HydrophobicContact CG2-CG2 3.66Å; I1063-F1093 HydrophobicContact CG2-CE2 4.06Å; I1063-F1093 HydrophobicContact CG2-CZ 4Å |
| 1064 | V | 76.1 | Confident | 83.8 | Confident | 97 Ų | 97 | 38.2 Ų | 38.2 | 59% | 0.588 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.8 | -178.4 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | L1060 | L1060-V1064 WeakPolarHBondContact O-CG2 3.39Å; L1060-V1064 PolarHBondContact O-N 2.76Å; L1060-V1064 VanDerWaalsContact O-N 3.07Å |
| 1065 | N | 79.4 | Confident | 83.4 | Confident | 110 Ų | 110 | 38.2 Ų | 38.2 | 59% | 0.588 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 3.7 | -175.9 | -66.2 | -15.7 | 0 | 0 | 0 | 114.3 | D1045 I1063 | D1045-N1065 PolarHBondContact OD2-ND2 2.85Å; I1063-N1065 PolarHBondContact O-N 3.04Å; I1063-N1065 VanDerWaalsContact O-N 3.14Å |
| 1066 | A | 85.3 | Confident | 83.1 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | trans | -83.1 | 135.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T887 A889 I1063 L1068 P1083 | T887-A1066 HydrophobicContact CG2-CB 4Å; A889-A1066 HydrophobicContact CB-CB 4.01Å; I1063-A1066 WeakPolarHBondContact O-CB 3.5Å; I1063-A1066 PolarHBondContact O-N 3.38Å; A1066-L1068 PolarHBondContact O-N 2.77Å; A1066-P1083 WeakPolarHBondContact O-CD 3.39Å; A1066-P1083 WeakPolarHBondContact O-CG 3.44Å | ||
| 1067 | D | 90.4 | Very high | 83.1 | Confident | 86 Ų | 86 | 44.3 Ų | 44.3 | 46% | 0.46 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -58.8 | -30.8 | 176.1 | -59.6 | -71.8 | 0 | 0 | 0 | 113 | Q886 T887 | Q886-D1067 HydrophobicContact CG-CB 3.7Å; T887-D1067 PolarHBondContact N-OD2 3.26Å; T887-D1067 PolarHBondContact O-N 2.9Å |
| 1068 | L | 92.4 | Very high | 83.6 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 132.5 | -172.4 | -168.1 | 75.5 | 0 | 0 | 0 | 110.9 | H880 T887 V888 A889 A1066 | H880-L1068 WeakPolarHBondContact NE2-CD2 3.39Å; T887-L1068 PolarHBondContact O-N 3.04Å; V888-L1068 CarbonylContact C-O 3.55Å; V888-L1068 VanDerWaalsContact CA-O 3.31Å; V888-L1068 WeakPolarHBondContact CA-O 3.27Å; V888-L1068 HydrophobicContact CG1-CD2 4.4Å; V888-L1068 HydrophobicContact CG2-CB 4.26Å; V888-L1068 HydrophobicContact CG2-CD2 4.26Å; A889-L1068 PolarHBondContact N-O 2.92Å; A1066-L1068 PolarHBondContact O-N 2.77Å |
| 1069 | V | 91.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 146.8 | 170.6 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | A889 V891 I1063 V1071 S1080 G1081 P1083 L1086 F1093 | A889-V1069 HydrophobicContact CB-CG2 4.41Å; A889-V1069 CarbonylContact O-C 3.6Å; V891-V1069 HydrophobicContact CB-CG1 4.36Å; V891-V1069 HydrophobicContact CG2-CG1 3.57Å; I1063-V1069 HydrophobicContact CG2-CG1 4.43Å; I1063-V1069 HydrophobicContact CG2-CG2 3.66Å; V1069-V1071 HydrophobicContact CG1-CG2 4.5Å; V1069-S1080 CarbonylContact O-C 3.56Å; V1069-S1080 WeakPolarHBondContact O-CA 3.32Å; V1069-S1080 WeakPolarHBondContact O-CB 3.38Å; V1069-G1081 PolarHBondContact N-O 3.15Å; V1069-G1081 PolarHBondContact O-N 3.38Å; V1069-P1083 HydrophobicContact CG2-CB 4.21Å; V1069-P1083 HydrophobicContact CG2-CG 3.71Å; V1069-L1086 HydrophobicContact CB-CD1 3.8Å; V1069-L1086 HydrophobicContact CG1-CD1 4.17Å; V1069-F1093 HydrophobicContact CG1-CD2 3.73Å; V1069-F1093 HydrophobicContact CG1-CE2 3.72Å; V1069-F1093 HydrophobicContact CG1-CG 4.42Å; V1069-F1093 HydrophobicContact CG1-CZ 4.41Å; V1069-F1093 HydrophobicContact CG2-CE2 4.3Å; V1069-F1093 HydrophobicContact CG2-CZ 4.2Å |
| 1070 | V | 92 | Very high | 85.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 114.8 | 175.3 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | F878 H880 V888 A889 L890 V891 L1072 K1077 | F878-V1070 HydrophobicContact CE2-CG1 4.36Å; F878-V1070 HydrophobicContact CZ-CG1 4.28Å; H880-V1070 WeakPolarHBondContact CE1-CG2 3.47Å; V888-V1070 HydrophobicContact CG1-CG2 3.66Å; A889-V1070 PolarHBondContact O-N 3.47Å; L890-V1070 HydrophobicContact CD2-CB 4Å; L890-V1070 HydrophobicContact CD2-CG2 4.39Å; V891-V1070 PolarHBondContact N-O 3.23Å; V1070-L1072 HydrophobicContact CG1-CD1 4.41Å; V1070-K1077 HydrophobicContact CG1-CD 3.85Å; V1070-K1077 HydrophobicContact CG1-CG 3.76Å |
| 1071 | V | 90.9 | Very high | 86 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.6 | 179.8 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | V891 V1069 I1078 E1079 A1092 F1093 L1096 | V891-V1071 CarbonylContact O-C 3.59Å; V891-V1071 WeakPolarHBondContact O-CA 3.44Å; V1069-V1071 HydrophobicContact CG1-CG2 4.5Å; V1071-I1078 PolarHBondContact O-N 3.48Å; V1071-E1079 HydrophobicContact CB-CG 3.78Å; V1071-E1079 HydrophobicContact CG2-CG 3.73Å; V1071-E1079 PolarHBondContact N-O 3.36Å; V1071-A1092 HydrophobicContact CG1-CB 3.96Å; V1071-F1093 HydrophobicContact CG2-CB 3.76Å; V1071-F1093 HydrophobicContact CG2-CD2 4.3Å; V1071-F1093 HydrophobicContact CG2-CG 4.48Å; V1071-L1096 HydrophobicContact CG1-CD1 3.82Å |
| 1072 | L | 89.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 142.5 | 173.6 | -75.9 | 91.8 | 0 | 0 | 0 | 111.7 | L875 F878 L890 V891 P893 C896 L901 V1070 C1076 | L875-L1072 HydrophobicContact CD2-CD2 4.12Å; F878-L1072 HydrophobicContact CD2-CD2 4.09Å; F878-L1072 HydrophobicContact CD2-CG 4.41Å; F878-L1072 HydrophobicContact CE2-CD1 4.11Å; F878-L1072 HydrophobicContact CE2-CD2 3.91Å; F878-L1072 HydrophobicContact CE2-CG 3.91Å; L890-L1072 HydrophobicContact CB-CD1 4.45Å; L890-L1072 HydrophobicContact CD2-CD1 4.39Å; V891-L1072 PolarHBondContact O-N 3.4Å; P893-L1072 WeakPolarHBondContact CD-O 3.37Å; C896-L1072 HydrophobicContact CB-CB 4.38Å; L901-L1072 HydrophobicContact CD1-CD1 4.22Å; L901-L1072 HydrophobicContact CD1-CD2 3.81Å; V1070-L1072 HydrophobicContact CG1-CD1 4.41Å; L1072-C1076 VanDerWaalsContact CA-O 3.28Å; L1072-C1076 WeakPolarHBondContact CA-O 3.33Å |
| 1073 | R | 87 | Confident | 87.5 | Confident | 112 Ų | 112 | 43.6 Ų | 43.6 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 133.3 | 166.6 | -166.8 | 176.1 | -177.2 | 153.9 | 2.9 | 108.7 | G1075 C1076 I1078 | R1073-G1075 PolarHBondContact O-N 3.31Å; R1073-C1076 PolarHBondContact N-O 3.34Å; R1073-C1076 PolarHBondContact O-N 2.97Å; R1073-I1078 HydrophobicContact CB-CD1 3.47Å; R1073-I1078 VanDerWaalsContact CB-CD1 3.47Å; R1073-I1078 HydrophobicContact CB-CG1 4.05Å; R1073-I1078 HydrophobicContact CG-CD1 4.18Å |
| 1074 | D | 83.3 | Confident | 87.8 | Confident | 85 Ų | 85 | 47.1 Ų | 47.1 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 28.1 | 177.2 | -72.5 | -67.9 | 0 | 0 | 0 | 116.2 | K876 | K876-D1074 VanDerWaalsContact CD-O 3.27Å; K876-D1074 WeakPolarHBondContact CD-O 3.4Å; K876-D1074 WeakPolarHBondContact CE-O 3.39Å; K876-D1074 PolarHBondContact NZ-O 3.4Å |
| 1075 | G | 83.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -2.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V874 K876 C896 R1073 | V874-G1075 WeakPolarHBondContact O-CA 3.26Å; K876-G1075 PolarHBondContact N-O 2.93Å; C896-G1075 WeakPolarHBondContact O-CA 3.16Å; C896-G1075 PolarHBondContact O-N 3.22Å; R1073-G1075 PolarHBondContact O-N 3.31Å |
| 1076 | C | 87.4 | Confident | 88.7 | Confident | 53 Ų | 53 | 39.3 Ų | 39.3 | 36% | 0.358 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 154 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | L1072 R1073 | L1072-C1076 VanDerWaalsContact CA-O 3.28Å; L1072-C1076 WeakPolarHBondContact CA-O 3.33Å; R1073-C1076 PolarHBondContact N-O 3.34Å; R1073-C1076 PolarHBondContact O-N 2.97Å |
| 1077 | K | 90.4 | Very high | 88.8 | Confident | 80 Ų | 80 | 41.4 Ų | 41.4 | 35% | 0.348 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.2 | 164.2 | 179.2 | -174 | 73.7 | -167.7 | 0 | 109.1 | F878 S879 V1070 | F878-K1077 HydrophobicContact CD2-CB 4.05Å; F878-K1077 HydrophobicContact CE2-CB 3.83Å; S879-K1077 PolarHBondContact O-NZ 3Å; V1070-K1077 HydrophobicContact CG1-CD 3.85Å; V1070-K1077 HydrophobicContact CG1-CG 3.76Å |
| 1078 | I | 89.7 | Confident | 88.6 | Confident | 88 Ų | 88 | 41.3 Ų | 41.3 | 45% | 0.451 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -59.2 | 170.9 | -68.8 | -174.8 | 0 | 0 | 0 | 109.8 | V1071 R1073 A1092 | V1071-I1078 PolarHBondContact O-N 3.48Å; R1073-I1078 HydrophobicContact CB-CD1 3.47Å; R1073-I1078 VanDerWaalsContact CB-CD1 3.47Å; R1073-I1078 HydrophobicContact CB-CG1 4.05Å; R1073-I1078 HydrophobicContact CG-CD1 4.18Å; I1078-A1092 HydrophobicContact CG2-CB 4.23Å |
| 1079 | E | 90 | Very high | 88.2 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 13% | 0.131 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 157.5 | -171.6 | 57.5 | -174.7 | -125.3 | 0 | 0 | 111.6 | V1071 L1086 G1091 A1092 F1093 | V1071-E1079 HydrophobicContact CB-CG 3.78Å; V1071-E1079 HydrophobicContact CG2-CG 3.73Å; V1071-E1079 PolarHBondContact N-O 3.36Å; E1079-L1086 HydrophobicContact CB-CD2 4.35Å; E1079-L1086 HydrophobicContact CG-CD1 4.5Å; E1079-L1086 HydrophobicContact CG-CD2 4.43Å; E1079-G1091 WeakPolarHBondContact OE2-CA 3.26Å; E1079-A1092 VanDerWaalsContact CD-N 3.3Å; E1079-A1092 HydrophobicContact CG-CB 4.41Å; E1079-A1092 PolarHBondContact OE1-N 2.95Å; E1079-A1092 PolarHBondContact OE2-N 3.09Å; E1079-F1093 VanDerWaalsContact OE1-CB 3.23Å; E1079-F1093 WeakPolarHBondContact OE1-CB 3.49Å; E1079-F1093 PolarHBondContact OE1-N 3.31Å |
| 1080 | S | 91.1 | Very high | 87.8 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 141.3 | 172.2 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | V1069 | V1069-S1080 CarbonylContact O-C 3.56Å; V1069-S1080 WeakPolarHBondContact O-CA 3.32Å; V1069-S1080 WeakPolarHBondContact O-CB 3.38Å |
| 1081 | G | 90.3 | Very high | 87.5 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 9% | 0.093 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | 170 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1069 | V1069-G1081 PolarHBondContact N-O 3.15Å; V1069-G1081 PolarHBondContact O-N 3.38Å |
| 1082 | P | 90.5 | Very high | 87.1 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 44% | 0.442 | 32% | 0.321 | S | S | . | . | trans | -57.6 | 148.3 | 171.3 | -23.6 | 34.1 | 0 | 0 | 0 | 111.2 | A1084 A1085 L1086 | P1082-A1084 PolarHBondContact O-N 2.84Å; P1082-A1085 HydrophobicContact CB-CB 4.42Å; P1082-A1085 WeakPolarHBondContact O-CB 3.46Å; P1082-A1085 PolarHBondContact O-N 3.25Å; P1082-L1086 PolarHBondContact O-N 2.91Å; P1082-L1086 VanDerWaalsContact O-N 3.13Å | ||
| 1083 | P | 86.3 | Confident | 86.8 | Confident | 18 Ų | 18 | 56 Ų | 56 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -49.2 | -53.8 | -173.9 | -25.9 | 29.4 | 0 | 0 | 0 | 113.4 | A1066 V1069 A1085 L1086 L1087 F1093 | A1066-P1083 WeakPolarHBondContact O-CD 3.39Å; A1066-P1083 WeakPolarHBondContact O-CG 3.44Å; V1069-P1083 HydrophobicContact CG2-CB 4.21Å; V1069-P1083 HydrophobicContact CG2-CG 3.71Å; P1083-A1085 VanDerWaalsContact C-N 3.25Å; P1083-A1085 PolarHBondContact O-N 3.33Å; P1083-L1086 PolarHBondContact O-N 3.02Å; P1083-L1087 WeakPolarHBondContact O-CG 3.41Å; P1083-L1087 PolarHBondContact O-N 3.29Å; P1083-F1093 HydrophobicContact CB-CE1 4.28Å |
| 1084 | A | 86.9 | Confident | 86.6 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 62% | 0.62 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.8 | -32.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1082 A1088 | P1082-A1084 PolarHBondContact O-N 2.84Å; A1084-A1088 WeakPolarHBondContact O-CB 3.29Å; A1084-A1088 PolarHBondContact O-N 3.06Å |
| 1085 | A | 88.3 | Confident | 86.5 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -78.6 | -23.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1082 P1083 K1089 | P1082-A1085 HydrophobicContact CB-CB 4.42Å; P1082-A1085 WeakPolarHBondContact O-CB 3.46Å; P1082-A1085 PolarHBondContact O-N 3.25Å; P1083-A1085 VanDerWaalsContact C-N 3.25Å; P1083-A1085 PolarHBondContact O-N 3.33Å; A1085-K1089 WeakPolarHBondContact O-CG 3.31Å |
| 1086 | L | 86.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -81.7 | -37.1 | 170.9 | -65.1 | -171.1 | 0 | 0 | 0 | 111.8 | V1069 E1079 P1082 P1083 K1089 F1093 | V1069-L1086 HydrophobicContact CB-CD1 3.8Å; V1069-L1086 HydrophobicContact CG1-CD1 4.17Å; E1079-L1086 HydrophobicContact CB-CD2 4.35Å; E1079-L1086 HydrophobicContact CG-CD1 4.5Å; E1079-L1086 HydrophobicContact CG-CD2 4.43Å; P1082-L1086 PolarHBondContact O-N 2.91Å; P1082-L1086 VanDerWaalsContact O-N 3.13Å; P1083-L1086 PolarHBondContact O-N 3.02Å; L1086-K1089 HydrophobicContact CD2-CD 4.34Å; L1086-K1089 WeakPolarHBondContact O-CB 3.48Å; L1086-K1089 PolarHBondContact O-N 3.17Å; L1086-F1093 HydrophobicContact CB-CB 3.81Å; L1086-F1093 HydrophobicContact CB-CD1 3.59Å; L1086-F1093 HydrophobicContact CB-CG 4.01Å; L1086-F1093 HydrophobicContact CD1-CB 3.83Å; L1086-F1093 HydrophobicContact CD1-CD1 4.28Å; L1086-F1093 HydrophobicContact CD1-CG 4.04Å; L1086-F1093 HydrophobicContact CG-CB 4.48Å |
| 1087 | L | 85.9 | Confident | 85.6 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 171.5 | -63.7 | 175 | 0 | 0 | 0 | 111.3 | P1083 K1089 K1090 F1093 Y1094 H1097 | P1083-L1087 WeakPolarHBondContact O-CG 3.41Å; P1083-L1087 PolarHBondContact O-N 3.29Å; L1087-K1089 PolarHBondContact O-N 3.38Å; L1087-K1090 PolarHBondContact O-N 3.25Å; L1087-K1090 VanDerWaalsContact O-N 3.11Å; L1087-F1093 HydrophobicContact CD2-CD1 3.81Å; L1087-F1093 HydrophobicContact CD2-CE1 3.79Å; L1087-F1093 HydrophobicContact CG-CD1 4.09Å; L1087-F1093 HydrophobicContact CG-CE1 3.9Å; L1087-Y1094 HydrophobicContact CD2-CD2 4.28Å; L1087-Y1094 WeakPolarHBondContact O-CD2 3.27Å; L1087-H1097 HydrophobicContact CD2-CB 3.58Å; L1087-H1097 VanDerWaalsContact CD2-CD2 3.45Å; L1087-H1097 WeakPolarHBondContact CD2-CD2 3.49Å; L1087-H1097 VanDerWaalsContact CD2-CG 3.48Å |
| 1088 | A | 86.7 | Confident | 84.7 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 70% | 0.702 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1084 | A1084-A1088 WeakPolarHBondContact O-CB 3.29Å; A1084-A1088 PolarHBondContact O-N 3.06Å |
| 1089 | K | 84.8 | Confident | 83.3 | Confident | 143 Ų | 143 | 50.4 Ų | 50.4 | 62% | 0.622 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -14.3 | 177.1 | -83.4 | 177.5 | 178.2 | -175.9 | 0 | 114.4 | A1085 L1086 L1087 G1091 | A1085-K1089 WeakPolarHBondContact O-CG 3.31Å; L1086-K1089 HydrophobicContact CD2-CD 4.34Å; L1086-K1089 WeakPolarHBondContact O-CB 3.48Å; L1086-K1089 PolarHBondContact O-N 3.17Å; L1087-K1089 PolarHBondContact O-N 3.38Å; K1089-G1091 PolarHBondContact O-N 3.46Å |
| 1090 | K | 83.1 | Confident | 81.7 | Confident | 143 Ų | 143 | 52.7 Ų | 52.7 | 62% | 0.622 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38.2 | -170.3 | -60.1 | -157.9 | 172.6 | -147.4 | 0 | 114.1 | L1087 Y1094 | L1087-K1090 PolarHBondContact O-N 3.25Å; L1087-K1090 VanDerWaalsContact O-N 3.11Å; K1090-Y1094 HydrophobicContact CB-CD1 3.66Å; K1090-Y1094 HydrophobicContact CB-CE1 3.94Å; K1090-Y1094 HydrophobicContact CB-CG 4.1Å; K1090-Y1094 HydrophobicContact CD-CD1 4.27Å; K1090-Y1094 HydrophobicContact CD-CE1 3.66Å; K1090-Y1094 HydrophobicContact CD-CE2 4.45Å; K1090-Y1094 HydrophobicContact CG-CD1 3.84Å; K1090-Y1094 HydrophobicContact CG-CD2 4.27Å; K1090-Y1094 HydrophobicContact CG-CE1 3.73Å; K1090-Y1094 HydrophobicContact CG-CE2 4.19Å; K1090-Y1094 HydrophobicContact CG-CG 4.11Å; K1090-Y1094 PolarHBondContact NZ-OH 3.07Å |
| 1091 | G | 84.4 | Confident | 79.2 | Confident | 22 Ų | 22 | 57 Ų | 57 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -86.5 | -158.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1079 K1089 F1093 Y1094 A1095 | E1079-G1091 WeakPolarHBondContact OE2-CA 3.26Å; K1089-G1091 PolarHBondContact O-N 3.46Å; G1091-F1093 VanDerWaalsContact C-N 3.3Å; G1091-F1093 PolarHBondContact O-N 3.34Å; G1091-Y1094 WeakPolarHBondContact O-CB 3.35Å; G1091-Y1094 PolarHBondContact O-N 3Å; G1091-A1095 PolarHBondContact O-N 3.47Å |
| 1092 | A | 82.7 | Confident | 78.7 | Confident | 26 Ų | 26 | 59.4 Ų | 59.4 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.7 | -30.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1071 I1078 E1079 L1096 | V1071-A1092 HydrophobicContact CG1-CB 3.96Å; I1078-A1092 HydrophobicContact CG2-CB 4.23Å; E1079-A1092 VanDerWaalsContact CD-N 3.3Å; E1079-A1092 HydrophobicContact CG-CB 4.41Å; E1079-A1092 PolarHBondContact OE1-N 2.95Å; E1079-A1092 PolarHBondContact OE2-N 3.09Å; A1092-L1096 WeakPolarHBondContact O-CD1 3.44Å; A1092-L1096 VanDerWaalsContact O-CG 3.31Å; A1092-L1096 WeakPolarHBondContact O-CG 3.48Å; A1092-L1096 PolarHBondContact O-N 2.95Å |
| 1093 | F | 83.5 | Confident | 78.1 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.6 | -35.3 | 171.1 | -175.4 | -113.5 | 0 | 0 | 0 | 112.4 | L1060 I1063 V1069 V1071 E1079 P1083 L1086 L1087 G1091 L1096 H1097 | L1060-F1093 HydrophobicContact CD2-CD2 4.42Å; L1060-F1093 HydrophobicContact CD2-CE2 3.4Å; L1060-F1093 VanDerWaalsContact CD2-CE2 3.4Å; L1060-F1093 HydrophobicContact CD2-CZ 3.62Å; I1063-F1093 HydrophobicContact CG2-CE2 4.06Å; I1063-F1093 HydrophobicContact CG2-CZ 4Å; V1069-F1093 HydrophobicContact CG1-CD2 3.73Å; V1069-F1093 HydrophobicContact CG1-CE2 3.72Å; V1069-F1093 HydrophobicContact CG1-CG 4.42Å; V1069-F1093 HydrophobicContact CG1-CZ 4.41Å; V1069-F1093 HydrophobicContact CG2-CE2 4.3Å; V1069-F1093 HydrophobicContact CG2-CZ 4.2Å; V1071-F1093 HydrophobicContact CG2-CB 3.76Å; V1071-F1093 HydrophobicContact CG2-CD2 4.3Å; V1071-F1093 HydrophobicContact CG2-CG 4.48Å; E1079-F1093 VanDerWaalsContact OE1-CB 3.23Å; E1079-F1093 WeakPolarHBondContact OE1-CB 3.49Å; E1079-F1093 PolarHBondContact OE1-N 3.31Å; P1083-F1093 HydrophobicContact CB-CE1 4.28Å; L1086-F1093 HydrophobicContact CB-CB 3.81Å; L1086-F1093 HydrophobicContact CB-CD1 3.59Å; L1086-F1093 HydrophobicContact CB-CG 4.01Å; L1086-F1093 HydrophobicContact CD1-CB 3.83Å; L1086-F1093 HydrophobicContact CD1-CD1 4.28Å; L1086-F1093 HydrophobicContact CD1-CG 4.04Å; L1086-F1093 HydrophobicContact CG-CB 4.48Å; L1087-F1093 HydrophobicContact CD2-CD1 3.81Å; L1087-F1093 HydrophobicContact CD2-CE1 3.79Å; L1087-F1093 HydrophobicContact CG-CD1 4.09Å; L1087-F1093 HydrophobicContact CG-CE1 3.9Å; G1091-F1093 VanDerWaalsContact C-N 3.3Å; G1091-F1093 PolarHBondContact O-N 3.34Å; F1093-L1096 CarbonylContact O-C 3.57Å; F1093-L1096 PolarHBondContact O-N 3.28Å; F1093-H1097 VanDerWaalsContact O-CB 3.28Å; F1093-H1097 WeakPolarHBondContact O-CB 3.43Å; F1093-H1097 PolarHBondContact O-N 3.27Å |
| 1094 | Y | 83.8 | Confident | 77.6 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.2 | -37.6 | 177.1 | 174.7 | -99.9 | 0 | 0 | 0 | 111.6 | L1087 K1090 G1091 H1097 H1098 | L1087-Y1094 HydrophobicContact CD2-CD2 4.28Å; L1087-Y1094 WeakPolarHBondContact O-CD2 3.27Å; K1090-Y1094 HydrophobicContact CB-CD1 3.66Å; K1090-Y1094 HydrophobicContact CB-CE1 3.94Å; K1090-Y1094 HydrophobicContact CB-CG 4.1Å; K1090-Y1094 HydrophobicContact CD-CD1 4.27Å; K1090-Y1094 HydrophobicContact CD-CE1 3.66Å; K1090-Y1094 HydrophobicContact CD-CE2 4.45Å; K1090-Y1094 HydrophobicContact CG-CD1 3.84Å; K1090-Y1094 HydrophobicContact CG-CD2 4.27Å; K1090-Y1094 HydrophobicContact CG-CE1 3.73Å; K1090-Y1094 HydrophobicContact CG-CE2 4.19Å; K1090-Y1094 HydrophobicContact CG-CG 4.11Å; K1090-Y1094 PolarHBondContact NZ-OH 3.07Å; G1091-Y1094 WeakPolarHBondContact O-CB 3.35Å; G1091-Y1094 PolarHBondContact O-N 3Å; Y1094-H1097 PolarHBondContact O-N 3.34Å; Y1094-H1098 AromaticContact CD2-CD2 3.93Å; Y1094-H1098 AromaticContact CE1-CD2 3.68Å; Y1094-H1098 AromaticContact CE2-CD2 3.42Å; Y1094-H1098 VanDerWaalsContact CE2-CD2 3.42Å; Y1094-H1098 WeakPolarHBondContact CE2-CD2 3.44Å; Y1094-H1098 AromaticContact CE2-NE2 3.26Å; Y1094-H1098 VanDerWaalsContact CE2-NE2 3.26Å; Y1094-H1098 WeakPolarHBondContact CE2-NE2 3.45Å; Y1094-H1098 AromaticContact CZ-CD2 3.28Å; Y1094-H1098 AromaticContact CZ-NE2 3.15Å; Y1094-H1098 PolarHBondContact O-N 3.31Å; Y1094-H1098 PolarHBondContact OH-NE2 2.67Å |
| 1095 | A | 81.5 | Confident | 77.1 | Confident | 46 Ų | 46 | 60.4 Ų | 60.4 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57 | -57.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G1091 H1097 H1098 M1099 | G1091-A1095 PolarHBondContact O-N 3.47Å; A1095-H1097 PolarHBondContact O-N 3.37Å; A1095-H1098 CarbonylContact O-C 3.55Å; A1095-H1098 PolarHBondContact O-N 3.28Å; A1095-M1099 WeakPolarHBondContact O-CG 3.39Å; A1095-M1099 PolarHBondContact O-N 2.82Å |
| 1096 | L | 77.4 | Confident | 76.4 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.9 | -26.6 | 176.4 | -70.6 | 162.6 | 0 | 0 | 0 | 113.8 | V891 V1071 A1092 F1093 M1099 | V891-L1096 HydrophobicContact CG1-CD1 4.24Å; V1071-L1096 HydrophobicContact CG1-CD1 3.82Å; A1092-L1096 WeakPolarHBondContact O-CD1 3.44Å; A1092-L1096 VanDerWaalsContact O-CG 3.31Å; A1092-L1096 WeakPolarHBondContact O-CG 3.48Å; A1092-L1096 PolarHBondContact O-N 2.95Å; F1093-L1096 CarbonylContact O-C 3.57Å; F1093-L1096 PolarHBondContact O-N 3.28Å; L1096-M1099 HydrophobicContact CD2-SD 3.96Å; L1096-M1099 HydrophobicContact CG-SD 4.41Å |
| 1097 | H | 73.7 | Confident | 75.7 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -80.9 | -29.4 | 176 | -168.9 | -62.7 | 0 | 0 | 0 | 113.8 | L1060 L1087 F1093 Y1094 A1095 N1101 | L1060-H1097 HydrophobicContact CD1-CB 3.97Å; L1087-H1097 HydrophobicContact CD2-CB 3.58Å; L1087-H1097 VanDerWaalsContact CD2-CD2 3.45Å; L1087-H1097 WeakPolarHBondContact CD2-CD2 3.49Å; L1087-H1097 VanDerWaalsContact CD2-CG 3.48Å; F1093-H1097 VanDerWaalsContact O-CB 3.28Å; F1093-H1097 WeakPolarHBondContact O-CB 3.43Å; F1093-H1097 PolarHBondContact O-N 3.27Å; Y1094-H1097 PolarHBondContact O-N 3.34Å; A1095-H1097 PolarHBondContact O-N 3.37Å; H1097-N1101 PolarHBondContact CE1-ND2 2.73Å; H1097-N1101 PolarHBondContact ND1-ND2 2.71Å; H1097-N1101 PolarHBondContact O-ND2 2.64Å |
| 1098 | H | 71.6 | Confident | 75 | Confident | 69 Ų | 69 | 66.6 Ų | 66.6 | 32% | 0.319 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -79.1 | -23.3 | 167.8 | -85.8 | -77.8 | 0 | 0 | 0 | 112.6 | Y1094 A1095 E1100 | Y1094-H1098 AromaticContact CD2-CD2 3.93Å; Y1094-H1098 AromaticContact CE1-CD2 3.68Å; Y1094-H1098 AromaticContact CE2-CD2 3.42Å; Y1094-H1098 VanDerWaalsContact CE2-CD2 3.42Å; Y1094-H1098 WeakPolarHBondContact CE2-CD2 3.44Å; Y1094-H1098 AromaticContact CE2-NE2 3.26Å; Y1094-H1098 VanDerWaalsContact CE2-NE2 3.26Å; Y1094-H1098 WeakPolarHBondContact CE2-NE2 3.45Å; Y1094-H1098 AromaticContact CZ-CD2 3.28Å; Y1094-H1098 AromaticContact CZ-NE2 3.15Å; Y1094-H1098 PolarHBondContact O-N 3.31Å; Y1094-H1098 PolarHBondContact OH-NE2 2.67Å; A1095-H1098 CarbonylContact O-C 3.55Å; A1095-H1098 PolarHBondContact O-N 3.28Å; H1098-E1100 PolarHBondContact O-N 2.95Å |
| 1099 | M | 61.1 | Low | 74.1 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 23% | 0.232 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.1 | 172.7 | -65.4 | 170.5 | 139.5 | 0 | 0 | 113.8 | D453 F457 A1095 L1096 | D453-M1099 HydrophobicContact CB-CE 4.06Å; D453-M1099 HydrophobicContact CB-CG 4.32Å; D453-M1099 VanDerWaalsContact CG-CG 3.46Å; D453-M1099 WeakPolarHBondContact O-CE 3.45Å; D453-M1099 WeakPolarHBondContact OD1-CA 3.5Å; D453-M1099 WeakPolarHBondContact OD1-CB 3.38Å; D453-M1099 WeakPolarHBondContact OD1-CG 3.48Å; F457-M1099 HydrophobicContact CE2-CE 4.18Å; A1095-M1099 WeakPolarHBondContact O-CG 3.39Å; A1095-M1099 PolarHBondContact O-N 2.82Å; L1096-M1099 HydrophobicContact CD2-SD 3.96Å; L1096-M1099 HydrophobicContact CG-SD 4.41Å |
| 1100 | E | 55.2 | Low | 73.2 | Confident | 76 Ų | 76 | 58.7 Ų | 58.7 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -1 | -178.7 | -84.3 | -171.5 | -138.7 | 0 | 0 | 113.9 | R1059 L1060 H1098 | R1059-E1100 WeakPolarHBondContact CA-OE2 3.47Å; L1060-E1100 HydrophobicContact CD1-CB 3.61Å; L1060-E1100 HydrophobicContact CD1-CG 4.05Å; L1060-E1100 WeakPolarHBondContact CG-OE2 3.21Å; L1060-E1100 PolarHBondContact N-OE2 2.95Å; H1098-E1100 PolarHBondContact O-N 2.95Å |
| 1101 | N | 39.8 | Very low | 72.2 | Confident | 133 Ų | 133 | 51 Ų | 51 | 71% | 0.711 | 28% | 0.28 | S | S | * | . | trans | -134.3 | 0 | -176.9 | -67 | -98.8 | 0 | 0 | 0 | 113.3 | H1097 | H1097-N1101 PolarHBondContact CE1-ND2 2.73Å; H1097-N1101 PolarHBondContact ND1-ND2 2.71Å; H1097-N1101 PolarHBondContact O-ND2 2.64Å |
Retrieved 1,101 of 1,101 residues in 489.3 ms
(Link to these results)