| 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 | 31.9 | Very low | 65.3 | Low | 245 Ų | 245 | 84.1 Ų | 84.1 | 100% | 1.207 | 49% | 0.493 | S | S | * | . | 0 | 107.7 | 0 | -75.4 | 178.3 | 168.6 | 0 | 0 | 106.8 | |||||
| 2 | H | 34.6 | Very low | 67 | Low | 190 Ų | 190 | 79.5 Ų | 79.5 | 88% | 0.88 | 47% | 0.465 | S | S | * | . | trans | -70.1 | 133.5 | -177.2 | -77.5 | -53.8 | 0 | 0 | 0 | 109.8 | A4 | H2-A4 PolarHBondContact O-N 3.5Š| ||
| 3 | A | 42 | Very low | 68.4 | Low | 93 Ų | 93 | 74 Ų | 74 | 77% | 0.769 | 43% | 0.432 | S | S | * | . | trans | -55.1 | 108.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | S5 | A3-S5 PolarHBondContact O-N 3.01Š| ||
| 4 | A | 55.7 | Low | 69.7 | Low | 30 Ų | 30 | 75.4 Ų | 75.4 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | trans | -66.5 | 118.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | H2 F36 | H2-A4 PolarHBondContact O-N 3.5Å; A4-F36 HydrophobicContact CB-CD2 4.04Å; A4-F36 HydrophobicContact CB-CE2 4.49Å | ||
| 5 | S | 70.9 | Confident | 70.8 | Confident | 56 Ų | 56 | 74.1 Ų | 74.1 | 39% | 0.392 | 42% | 0.421 | S | S | . | . | trans | -76.1 | 158.3 | 177 | 59.5 | 0 | 0 | 0 | 0 | 110.1 | A3 T7 T8 V9 | A3-S5 PolarHBondContact O-N 3.01Å; S5-T7 PolarHBondContact O-N 3.47Å; S5-T7 VanDerWaalsContact O-N 3.11Å; S5-T7 PolarHBondContact OG-OG1 2.94Å; S5-T8 WeakPolarHBondContact O-CB 3.38Å; S5-T8 PolarHBondContact O-N 2.92Å; S5-T8 PolarHBondContact OG-OG1 3.06Å; S5-V9 PolarHBondContact O-N 3.12Å | ||
| 6 | L | 73.6 | Confident | 71.9 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 25% | 0.251 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -53.8 | -33.4 | 178.4 | -152.8 | 102.4 | 0 | 0 | 0 | 112.6 | T8 V9 E10 L45 V49 L61 | L6-T8 VanDerWaalsContact C-N 3.34Å; L6-T8 PolarHBondContact O-N 2.97Å; L6-V9 PolarHBondContact O-N 2.83Å; L6-E10 WeakPolarHBondContact O-CB 3.16Å; L6-E10 PolarHBondContact O-N 3.3Å; L6-L45 HydrophobicContact CD1-CB 3.76Å; L6-V49 HydrophobicContact CD1-CG2 3.71Å; L6-V49 HydrophobicContact CD2-CG2 3.42Å; L6-V49 VanDerWaalsContact CD2-CG2 3.42Å; L6-V49 HydrophobicContact CG-CG2 4.14Å; L6-L61 HydrophobicContact CD2-CD2 3.84Å; L6-L61 HydrophobicContact CG-CD1 4.42Å; L6-L61 HydrophobicContact CG-CD2 4.45Å |
| 7 | T | 77.4 | Confident | 72.6 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 60% | 0.601 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.8 | -31.4 | 173.3 | 29.9 | 0 | 0 | 0 | 0 | 114.1 | S5 G11 | S5-T7 PolarHBondContact O-N 3.47Å; S5-T7 VanDerWaalsContact O-N 3.11Å; S5-T7 PolarHBondContact OG-OG1 2.94Å; T7-G11 PolarHBondContact O-N 3.46Å |
| 8 | T | 81.2 | Confident | 73.5 | Confident | 69 Ų | 69 | 75.8 Ų | 75.8 | 42% | 0.423 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72.4 | -41.4 | 175.1 | -46.5 | 0 | 0 | 0 | 0 | 110.9 | S5 L6 E10 G11 L12 | S5-T8 WeakPolarHBondContact O-CB 3.38Å; S5-T8 PolarHBondContact O-N 2.92Å; S5-T8 PolarHBondContact OG-OG1 3.06Å; L6-T8 VanDerWaalsContact C-N 3.34Å; L6-T8 PolarHBondContact O-N 2.97Å; T8-E10 VanDerWaalsContact C-N 3.31Å; T8-E10 PolarHBondContact O-N 3.29Å; T8-G11 PolarHBondContact O-N 3.47Å; T8-L12 WeakPolarHBondContact O-CG 3.43Å; T8-L12 PolarHBondContact O-N 2.99Å |
| 9 | V | 82.8 | Confident | 74.1 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.024 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | S5 L6 L12 L13 L33 F36 L61 F64 | S5-V9 PolarHBondContact O-N 3.12Å; L6-V9 PolarHBondContact O-N 2.83Å; V9-L12 PolarHBondContact O-N 3.3Å; V9-L13 HydrophobicContact CG1-CD1 3.89Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CG 3.36Å; V9-L13 PolarHBondContact O-N 2.76Å; V9-L33 HydrophobicContact CG1-CD2 4.03Å; V9-F36 HydrophobicContact CG2-CD1 4.13Å; V9-F36 HydrophobicContact CG2-CD2 3.64Å; V9-F36 HydrophobicContact CG2-CE1 4.21Å; V9-F36 HydrophobicContact CG2-CE2 3.74Å; V9-F36 HydrophobicContact CG2-CG 3.83Å; V9-F36 HydrophobicContact CG2-CZ 4.02Å; V9-L61 HydrophobicContact CB-CD1 4.49Å; V9-L61 HydrophobicContact CG1-CD1 4Å; V9-F64 HydrophobicContact CG1-CD1 3.54Å; V9-F64 HydrophobicContact CG1-CE1 3.5Å; V9-F64 VanDerWaalsContact CG1-CE1 3.5Å; V9-F64 HydrophobicContact CG1-CG 4.33Å; V9-F64 HydrophobicContact CG1-CZ 4.27Å |
| 10 | E | 84.2 | Confident | 74.7 | Confident | 56 Ų | 56 | 80.1 Ų | 80.1 | 26% | 0.262 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 176.6 | -166.1 | 177.3 | -178.7 | 0 | 0 | 112.5 | L6 T8 L12 L13 Q14 N58 L61 | L6-E10 WeakPolarHBondContact O-CB 3.16Å; L6-E10 PolarHBondContact O-N 3.3Å; T8-E10 VanDerWaalsContact C-N 3.31Å; T8-E10 PolarHBondContact O-N 3.29Å; E10-L12 PolarHBondContact O-N 3.24Å; E10-L13 PolarHBondContact O-N 3.03Å; E10-Q14 WeakPolarHBondContact O-CG 3.42Å; E10-Q14 PolarHBondContact O-N 3.17Å; E10-N58 VanDerWaalsContact CD-ND2 3.3Å; E10-N58 WeakPolarHBondContact CG-ND2 3.47Å; E10-N58 PolarHBondContact OE1-ND2 2.99Å; E10-L61 HydrophobicContact CB-CD1 4.48Å; E10-L61 HydrophobicContact CB-CD2 4.36Å; E10-L61 HydrophobicContact CG-CD2 4.24Å |
| 11 | G | 83.6 | Confident | 75.4 | Confident | 36 Ų | 36 | 77 Ų | 77 | 37% | 0.371 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | T7 T8 Q14 E15 | T7-G11 PolarHBondContact O-N 3.46Å; T8-G11 PolarHBondContact O-N 3.47Å; G11-Q14 PolarHBondContact O-N 3.3Å; G11-E15 WeakPolarHBondContact O-CB 3.43Å; G11-E15 PolarHBondContact O-N 3.4Å |
| 12 | L | 85.8 | Confident | 78.1 | Confident | 29 Ų | 29 | 68.6 Ų | 68.6 | 15% | 0.152 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 176.6 | -72.3 | 173.5 | 0 | 0 | 0 | 112.4 | T8 V9 E10 E15 F16 I29 N32 L33 | T8-L12 WeakPolarHBondContact O-CG 3.43Å; T8-L12 PolarHBondContact O-N 2.99Å; V9-L12 PolarHBondContact O-N 3.3Å; E10-L12 PolarHBondContact O-N 3.24Å; L12-E15 PolarHBondContact O-N 3.5Å; L12-F16 WeakPolarHBondContact O-CB 3.35Å; L12-F16 PolarHBondContact O-N 3.47Å; L12-I29 HydrophobicContact CB-CG2 4.07Å; L12-I29 HydrophobicContact CD2-CG1 4.25Å; L12-N32 HydrophobicContact CD1-CB 4.21Å; L12-L33 HydrophobicContact CB-CD2 4.44Å |
| 13 | L | 85.6 | Confident | 80.7 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | 176.7 | -72.2 | 167.2 | 0 | 0 | 0 | 111.5 | V9 E10 E15 F16 Y17 L33 F60 L61 F64 | V9-L13 HydrophobicContact CG1-CD1 3.89Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CG 3.36Å; V9-L13 PolarHBondContact O-N 2.76Å; E10-L13 PolarHBondContact O-N 3.03Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3Å; L13-F16 WeakPolarHBondContact O-CB 3.33Å; L13-F16 PolarHBondContact O-N 3.19Å; L13-Y17 VanDerWaalsContact O-CD2 3.24Å; L13-Y17 WeakPolarHBondContact O-CD2 3.45Å; L13-Y17 PolarHBondContact O-N 2.79Å; L13-L33 HydrophobicContact CD2-CD1 3.73Å; L13-L33 HydrophobicContact CD2-CD2 4.26Å; L13-L33 HydrophobicContact CG-CD1 4.49Å; L13-L33 HydrophobicContact CG-CD2 4.27Å; L13-F60 HydrophobicContact CB-CB 4.23Å; L13-L61 HydrophobicContact CD1-CB 4.45Å; L13-L61 HydrophobicContact CD1-CD1 4.17Å; L13-F64 HydrophobicContact CD1-CB 3.64Å; L13-F64 HydrophobicContact CD1-CD1 4.4Å; L13-F64 HydrophobicContact CD1-CG 4.02Å; L13-F64 HydrophobicContact CD2-CB 4.24Å; L13-F64 HydrophobicContact CD2-CD2 4.42Å; L13-F64 HydrophobicContact CD2-CG 4.46Å |
| 14 | Q | 86 | Confident | 83 | Confident | 94 Ų | 94 | 64.7 Ų | 64.7 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 174 | -72.4 | 178.3 | 1.4 | 0 | 0 | 111.5 | E10 G11 Q18 N58 | E10-Q14 WeakPolarHBondContact O-CG 3.42Å; E10-Q14 PolarHBondContact O-N 3.17Å; G11-Q14 PolarHBondContact O-N 3.3Å; Q14-Q18 WeakPolarHBondContact O-CG 3.47Å; Q14-Q18 PolarHBondContact O-N 3.11Å; Q14-N58 PolarHBondContact NE2-ND2 3.07Å |
| 15 | E | 87.3 | Confident | 84.6 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 174.6 | -167.9 | -173.4 | 166 | 0 | 0 | 111.8 | G11 L12 L13 Y17 Q18 T21 R25 I29 | G11-E15 WeakPolarHBondContact O-CB 3.43Å; G11-E15 PolarHBondContact O-N 3.4Å; L12-E15 PolarHBondContact O-N 3.5Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3Å; E15-Y17 PolarHBondContact O-N 3.12Å; E15-Q18 PolarHBondContact O-N 3.09Å; E15-T21 HydrophobicContact CG-CG2 4.47Å; E15-T21 WeakPolarHBondContact O-CB 3.5Å; E15-T21 PolarHBondContact O-OG1 3.36Å; E15-R25 WeakPolarHBondContact OE1-CG 3.37Å; E15-R25 IonicContact OE1-CZ 3.87Å; E15-R25 IonicContact OE1-NE 3.22Å; E15-R25 PolarHBondContact OE1-NE 3.33Å; E15-R25 IonicContact OE1-NH2 2.64Å; E15-R25 PolarHBondContact OE1-NH2 3.29Å; E15-R25 IonicContact OE2-CZ 2.92Å; E15-R25 IonicContact OE2-NE 3.88Å; E15-R25 IonicContact OE2-NH2 3.22Å; E15-R25 PolarHBondContact OE2-NH2 3.38Å; E15-I29 HydrophobicContact CB-CD1 4.05Å; E15-I29 HydrophobicContact CG-CD1 3.88Å |
| 16 | F | 87.3 | Confident | 85.5 | Confident | 37 Ų | 37 | 66.8 Ų | 66.8 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | -179.5 | -175.7 | -95.4 | 0 | 0 | 0 | 113.1 | L12 L13 Q18 K26 I29 E30 | L12-F16 WeakPolarHBondContact O-CB 3.35Å; L12-F16 PolarHBondContact O-N 3.47Å; L13-F16 WeakPolarHBondContact O-CB 3.33Å; L13-F16 PolarHBondContact O-N 3.19Å; F16-Q18 VanDerWaalsContact C-N 3.34Å; F16-K26 HydrophobicContact CD2-CB 4.09Å; F16-K26 HydrophobicContact CD2-CG 4.08Å; F16-K26 HydrophobicContact CE2-CB 3.79Å; F16-K26 HydrophobicContact CE2-CD 4.47Å; F16-K26 HydrophobicContact CE2-CG 4.09Å; F16-K26 WeakPolarHBondContact O-CE 3.12Å; F16-I29 HydrophobicContact CB-CD1 4.37Å; F16-I29 HydrophobicContact CB-CG2 4.05Å; F16-I29 HydrophobicContact CD2-CB 4.22Å; F16-I29 HydrophobicContact CD2-CG2 4.04Å; F16-I29 HydrophobicContact CG-CG2 4.46Å; F16-E30 HydrophobicContact CE2-CG 3.7Å; F16-E30 WeakPolarHBondContact CE2-OE1 3.42Å; F16-E30 HydrophobicContact CZ-CG 4.26Å; F16-E30 WeakPolarHBondContact CZ-OE1 3.35Å |
| 17 | Y | 85.1 | Confident | 86.2 | Confident | 126 Ų | 126 | 73.2 Ų | 73.2 | 49% | 0.494 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -85.1 | -2 | -178.5 | -70.6 | -71.3 | 0 | 0 | 0 | 114 | L13 E15 F60 | L13-Y17 VanDerWaalsContact O-CD2 3.24Å; L13-Y17 WeakPolarHBondContact O-CD2 3.45Å; L13-Y17 PolarHBondContact O-N 2.79Å; E15-Y17 PolarHBondContact O-N 3.12Å; Y17-F60 HydrophobicContact CD1-CD1 4.49Å; Y17-F60 HydrophobicContact CD1-CE1 4.08Å; Y17-F60 HydrophobicContact CD2-CB 4.27Å; Y17-F60 AromaticContact CD2-CD1 3.34Å; Y17-F60 HydrophobicContact CD2-CD1 3.34Å; Y17-F60 HydrophobicContact CD2-CD2 4.26Å; Y17-F60 AromaticContact CD2-CE1 3.59Å; Y17-F60 HydrophobicContact CD2-CE1 3.59Å; Y17-F60 HydrophobicContact CD2-CE2 4.46Å; Y17-F60 AromaticContact CD2-CG 3.71Å; Y17-F60 HydrophobicContact CD2-CG 3.71Å; Y17-F60 HydrophobicContact CD2-CZ 4.16Å; Y17-F60 HydrophobicContact CE1-CD1 4.46Å; Y17-F60 HydrophobicContact CE1-CE1 4.32Å; Y17-F60 HydrophobicContact CE2-CB 4.13Å; Y17-F60 AromaticContact CE2-CD1 3.31Å; Y17-F60 HydrophobicContact CE2-CD1 3.31Å; Y17-F60 AromaticContact CE2-CE1 3.88Å; Y17-F60 HydrophobicContact CE2-CE1 3.88Å; Y17-F60 AromaticContact CE2-CG 3.88Å; Y17-F60 HydrophobicContact CE2-CG 3.88Å; Y17-F60 AromaticContact CG-CD1 3.98Å; Y17-F60 HydrophobicContact CG-CD1 3.98Å; Y17-F60 AromaticContact CG-CE1 3.71Å; Y17-F60 HydrophobicContact CG-CE1 3.71Å; Y17-F60 HydrophobicContact CG-CZ 4.1Å; Y17-F60 AromaticContact CZ-CD1 3.91Å |
| 18 | Q | 88.8 | Confident | 86.7 | Confident | 90 Ų | 90 | 73.2 Ų | 73.2 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | trans | -68.9 | 133.6 | 173.7 | -82.4 | 171 | 22.6 | 0 | 0 | 111.6 | Q14 E15 F16 S20 T21 | Q14-Q18 WeakPolarHBondContact O-CG 3.47Å; Q14-Q18 PolarHBondContact O-N 3.11Å; E15-Q18 PolarHBondContact O-N 3.09Å; F16-Q18 VanDerWaalsContact C-N 3.34Å; Q18-S20 PolarHBondContact O-N 2.97Å; Q18-T21 PolarHBondContact O-N 3.2Å; Q18-T21 PolarHBondContact O-OG1 3.29Å | ||
| 19 | P | 84.1 | Confident | 87.1 | Confident | 134 Ų | 134 | 69.9 Ų | 69.9 | 87% | 0.87 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24 | 178.7 | -22.8 | 32.5 | 0 | 0 | 0 | 114.1 | T21 | P19-T21 VanDerWaalsContact C-N 3.35Š|
| 20 | S | 87 | Confident | 87.3 | Confident | 103 Ų | 103 | 74.1 Ų | 74.1 | 72% | 0.72 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -7.9 | -178.2 | 47.9 | 0 | 0 | 0 | 0 | 114.6 | Q18 | Q18-S20 PolarHBondContact O-N 2.97Š|
| 21 | T | 88.8 | Confident | 87.4 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 10% | 0.098 | 40% | 0.403 | C | S | . | . | trans | -80.8 | 125.9 | -174.1 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | E15 Q18 P19 R25 K26 I29 | E15-T21 HydrophobicContact CG-CG2 4.47Å; E15-T21 WeakPolarHBondContact O-CB 3.5Å; E15-T21 PolarHBondContact O-OG1 3.36Å; Q18-T21 PolarHBondContact O-N 3.2Å; Q18-T21 PolarHBondContact O-OG1 3.29Å; P19-T21 VanDerWaalsContact C-N 3.35Å; T21-R25 HydrophobicContact CG2-CB 3.87Å; T21-R25 HydrophobicContact CG2-CG 3.69Å; T21-K26 HydrophobicContact CG2-CG 3.93Å; T21-K26 WeakPolarHBondContact O-CE 3.44Å; T21-I29 HydrophobicContact CG2-CD1 4.27Å | ||
| 22 | S | 89.1 | Confident | 87.6 | Confident | 69 Ų | 69 | 77.4 Ų | 77.4 | 48% | 0.483 | 40% | 0.403 | S | S | . | . | trans | -68.5 | 154 | -177.9 | 74.6 | 0 | 0 | 0 | 0 | 112.8 | A24 R25 K26 | S22-A24 PolarHBondContact O-N 3.2Å; S22-R25 PolarHBondContact O-N 3.39Å; S22-R25 WeakPolarHBondContact OG-CB 3.48Å; S22-R25 PolarHBondContact OG-N 3.13Å; S22-K26 PolarHBondContact O-N 3.28Å | ||
| 23 | N | 89.8 | Confident | 87.6 | Confident | 127 Ų | 127 | 76.8 Ų | 76.8 | 68% | 0.679 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58.9 | -34.7 | 177.5 | -70.6 | -11.6 | 0 | 0 | 0 | 112.8 | K26 R27 | N23-K26 PolarHBondContact O-N 3.31Å; N23-R27 PolarHBondContact O-N 3.03Å |
| 24 | A | 88.7 | Confident | 87.6 | Confident | 74 Ų | 74 | 81.9 Ų | 81.9 | 61% | 0.612 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S22 R27 E28 | S22-A24 PolarHBondContact O-N 3.2Å; A24-R27 PolarHBondContact O-N 2.77Å; A24-E28 PolarHBondContact O-N 3.05Å |
| 25 | R | 90.2 | Very high | 87.6 | Confident | 69 Ų | 69 | 79.7 Ų | 79.7 | 26% | 0.26 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 177.5 | -177.1 | 57.5 | 176.5 | 171.1 | 6.3 | 112.2 | E15 T21 S22 R27 E28 I29 | E15-R25 WeakPolarHBondContact OE1-CG 3.37Å; E15-R25 IonicContact OE1-CZ 3.87Å; E15-R25 IonicContact OE1-NE 3.22Å; E15-R25 PolarHBondContact OE1-NE 3.33Å; E15-R25 IonicContact OE1-NH2 2.64Å; E15-R25 PolarHBondContact OE1-NH2 3.29Å; E15-R25 IonicContact OE2-CZ 2.92Å; E15-R25 IonicContact OE2-NE 3.88Å; E15-R25 IonicContact OE2-NH2 3.22Å; E15-R25 PolarHBondContact OE2-NH2 3.38Å; T21-R25 HydrophobicContact CG2-CB 3.87Å; T21-R25 HydrophobicContact CG2-CG 3.69Å; S22-R25 PolarHBondContact O-N 3.39Å; S22-R25 WeakPolarHBondContact OG-CB 3.48Å; S22-R25 PolarHBondContact OG-N 3.13Å; R25-R27 VanDerWaalsContact C-N 3.34Å; R25-R27 PolarHBondContact O-N 3.33Å; R25-E28 WeakPolarHBondContact CD-OE2 3.49Å; R25-E28 IonicContact CZ-OE2 3.52Å; R25-E28 IonicContact NE-OE2 3.55Å; R25-E28 IonicContact NH1-OE1 3.19Å; R25-E28 PolarHBondContact NH1-OE1 2.9Å; R25-E28 IonicContact NH1-OE2 3.48Å; R25-E28 PolarHBondContact NH1-OE2 3.14Å; R25-E28 WeakPolarHBondContact O-CB 3.27Å; R25-E28 PolarHBondContact O-N 3.44Å; R25-E28 VanDerWaalsContact O-N 3.17Å; R25-I29 HydrophobicContact CG-CD1 4.02Å; R25-I29 HydrophobicContact CG-CG1 4.46Å; R25-I29 WeakPolarHBondContact O-CG1 3.49Å; R25-I29 PolarHBondContact O-N 2.62Å |
| 26 | K | 89.1 | Confident | 87.5 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 27% | 0.265 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.2 | -43 | 174.2 | -72.5 | -176.7 | -179.5 | -178.1 | 0 | 112.4 | F16 T21 S22 N23 E28 I29 E30 | F16-K26 HydrophobicContact CD2-CB 4.09Å; F16-K26 HydrophobicContact CD2-CG 4.08Å; F16-K26 HydrophobicContact CE2-CB 3.79Å; F16-K26 HydrophobicContact CE2-CD 4.47Å; F16-K26 HydrophobicContact CE2-CG 4.09Å; F16-K26 WeakPolarHBondContact O-CE 3.12Å; T21-K26 HydrophobicContact CG2-CG 3.93Å; T21-K26 WeakPolarHBondContact O-CE 3.44Å; S22-K26 PolarHBondContact O-N 3.28Å; N23-K26 PolarHBondContact O-N 3.31Å; K26-E28 PolarHBondContact O-N 3.36Å; K26-I29 PolarHBondContact O-N 3.31Å; K26-E30 WeakPolarHBondContact O-CG 3.37Å; K26-E30 PolarHBondContact O-N 3.2Å |
| 27 | R | 88.3 | Confident | 87.4 | Confident | 183 Ų | 183 | 77.4 Ų | 77.4 | 69% | 0.691 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.3 | -38.5 | 174.7 | -72.6 | -178.9 | -178.2 | 174.6 | 0.4 | 112.9 | N23 A24 R25 E30 T31 | N23-R27 PolarHBondContact O-N 3.03Å; A24-R27 PolarHBondContact O-N 2.77Å; R25-R27 VanDerWaalsContact C-N 3.34Å; R25-R27 PolarHBondContact O-N 3.33Å; R27-E30 PolarHBondContact O-N 2.91Å; R27-T31 PolarHBondContact O-N 3.45Å; R27-T31 PolarHBondContact O-OG1 3.07Å |
| 28 | E | 88.8 | Confident | 87.2 | Confident | 97 Ų | 97 | 73.8 Ų | 73.8 | 45% | 0.453 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 175.3 | -167.3 | -166.3 | 161.5 | 0 | 0 | 111.2 | A24 R25 K26 T31 N32 | A24-E28 PolarHBondContact O-N 3.05Å; R25-E28 WeakPolarHBondContact CD-OE2 3.49Å; R25-E28 IonicContact CZ-OE2 3.52Å; R25-E28 IonicContact NE-OE2 3.55Å; R25-E28 IonicContact NH1-OE1 3.19Å; R25-E28 PolarHBondContact NH1-OE1 2.9Å; R25-E28 IonicContact NH1-OE2 3.48Å; R25-E28 PolarHBondContact NH1-OE2 3.14Å; R25-E28 WeakPolarHBondContact O-CB 3.27Å; R25-E28 PolarHBondContact O-N 3.44Å; R25-E28 VanDerWaalsContact O-N 3.17Å; K26-E28 PolarHBondContact O-N 3.36Å; E28-T31 WeakPolarHBondContact O-CB 3.47Å; E28-T31 PolarHBondContact O-N 3.48Å; E28-N32 PolarHBondContact O-N 3.18Å; E28-N32 PolarHBondContact O-ND2 3.16Å |
| 29 | I | 88.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176 | -65.2 | 165.7 | 0 | 0 | 0 | 110.8 | L12 E15 F16 T21 R25 K26 T31 N32 L33 | L12-I29 HydrophobicContact CB-CG2 4.07Å; L12-I29 HydrophobicContact CD2-CG1 4.25Å; E15-I29 HydrophobicContact CB-CD1 4.05Å; E15-I29 HydrophobicContact CG-CD1 3.88Å; F16-I29 HydrophobicContact CB-CD1 4.37Å; F16-I29 HydrophobicContact CB-CG2 4.05Å; F16-I29 HydrophobicContact CD2-CB 4.22Å; F16-I29 HydrophobicContact CD2-CG2 4.04Å; F16-I29 HydrophobicContact CG-CG2 4.46Å; T21-I29 HydrophobicContact CG2-CD1 4.27Å; R25-I29 HydrophobicContact CG-CD1 4.02Å; R25-I29 HydrophobicContact CG-CG1 4.46Å; R25-I29 WeakPolarHBondContact O-CG1 3.49Å; R25-I29 PolarHBondContact O-N 2.62Å; K26-I29 PolarHBondContact O-N 3.31Å; I29-T31 VanDerWaalsContact C-N 3.3Å; I29-T31 PolarHBondContact O-N 3.32Å; I29-N32 WeakPolarHBondContact O-CB 3.13Å; I29-N32 PolarHBondContact O-N 3.29Å; I29-N32 VanDerWaalsContact O-N 3.14Å; I29-L33 HydrophobicContact CG2-CD1 3.85Å; I29-L33 HydrophobicContact CG2-CG 4.11Å; I29-L33 WeakPolarHBondContact O-CB 3.48Å; I29-L33 VanDerWaalsContact O-CG 3.31Å; I29-L33 WeakPolarHBondContact O-CG 3.44Å; I29-L33 PolarHBondContact O-N 3.03Å |
| 30 | E | 87.2 | Confident | 86.7 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57 | -43.4 | 174.4 | -79.8 | 171 | -178.4 | 0 | 0 | 112.1 | F16 K26 R27 N32 L33 L34 | F16-E30 HydrophobicContact CE2-CG 3.7Å; F16-E30 WeakPolarHBondContact CE2-OE1 3.42Å; F16-E30 HydrophobicContact CZ-CG 4.26Å; F16-E30 WeakPolarHBondContact CZ-OE1 3.35Å; K26-E30 WeakPolarHBondContact O-CG 3.37Å; K26-E30 PolarHBondContact O-N 3.2Å; R27-E30 PolarHBondContact O-N 2.91Å; E30-N32 VanDerWaalsContact C-N 3.32Å; E30-N32 PolarHBondContact O-N 2.58Å; E30-L33 PolarHBondContact O-N 3.13Å; E30-L34 WeakPolarHBondContact O-CB 3.33Å; E30-L34 VanDerWaalsContact O-CG 3.29Å; E30-L34 WeakPolarHBondContact O-CG 3.38Å; E30-L34 PolarHBondContact O-N 3.02Å |
| 31 | T | 87.3 | Confident | 86.4 | Confident | 91 Ų | 91 | 72 Ų | 72 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 176.8 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | R27 E28 I29 L34 A35 | R27-T31 PolarHBondContact O-N 3.45Å; R27-T31 PolarHBondContact O-OG1 3.07Å; E28-T31 WeakPolarHBondContact O-CB 3.47Å; E28-T31 PolarHBondContact O-N 3.48Å; I29-T31 VanDerWaalsContact C-N 3.3Å; I29-T31 PolarHBondContact O-N 3.32Å; T31-L34 PolarHBondContact O-N 3.44Å; T31-A35 WeakPolarHBondContact O-CB 3.41Å; T31-A35 PolarHBondContact O-N 3.05Å |
| 32 | N | 86.5 | Confident | 86.3 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 177 | -68.7 | -32.4 | 0 | 0 | 0 | 112.5 | L12 E28 I29 E30 A35 F36 | L12-N32 HydrophobicContact CD1-CB 4.21Å; E28-N32 PolarHBondContact O-N 3.18Å; E28-N32 PolarHBondContact O-ND2 3.16Å; I29-N32 WeakPolarHBondContact O-CB 3.13Å; I29-N32 PolarHBondContact O-N 3.29Å; I29-N32 VanDerWaalsContact O-N 3.14Å; E30-N32 VanDerWaalsContact C-N 3.32Å; E30-N32 PolarHBondContact O-N 2.58Å; N32-A35 PolarHBondContact O-N 3.44Å; N32-F36 PolarHBondContact O-N 3.5Å |
| 33 | L | 87.1 | Confident | 86.2 | Confident | 17 Ų | 17 | 68.4 Ų | 68.4 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 176.6 | -71.8 | 176.9 | 0 | 0 | 0 | 111.8 | V9 L12 L13 I29 E30 F36 K37 F64 | V9-L33 HydrophobicContact CG1-CD2 4.03Å; L12-L33 HydrophobicContact CB-CD2 4.44Å; L13-L33 HydrophobicContact CD2-CD1 3.73Å; L13-L33 HydrophobicContact CD2-CD2 4.26Å; L13-L33 HydrophobicContact CG-CD1 4.49Å; L13-L33 HydrophobicContact CG-CD2 4.27Å; I29-L33 HydrophobicContact CG2-CD1 3.85Å; I29-L33 HydrophobicContact CG2-CG 4.11Å; I29-L33 WeakPolarHBondContact O-CB 3.48Å; I29-L33 VanDerWaalsContact O-CG 3.31Å; I29-L33 WeakPolarHBondContact O-CG 3.44Å; I29-L33 PolarHBondContact O-N 3.03Å; E30-L33 PolarHBondContact O-N 3.13Å; L33-F36 PolarHBondContact O-N 2.94Å; L33-K37 WeakPolarHBondContact O-CG 3.45Å; L33-K37 PolarHBondContact O-N 3.24Å; L33-F64 HydrophobicContact CB-CE2 3.82Å; L33-F64 HydrophobicContact CB-CZ 4.33Å; L33-F64 HydrophobicContact CD2-CD2 4.28Å; L33-F64 HydrophobicContact CD2-CE2 3.84Å; L33-F64 HydrophobicContact CD2-CZ 3.98Å; L33-F64 HydrophobicContact CG-CE2 4.28Å |
| 34 | L | 85.8 | Confident | 86.1 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 60% | 0.597 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 171.8 | -73.5 | 169.3 | 0 | 0 | 0 | 111.4 | E30 T31 F36 K37 S38 | E30-L34 WeakPolarHBondContact O-CB 3.33Å; E30-L34 VanDerWaalsContact O-CG 3.29Å; E30-L34 WeakPolarHBondContact O-CG 3.38Å; E30-L34 PolarHBondContact O-N 3.02Å; T31-L34 PolarHBondContact O-N 3.44Å; L34-F36 VanDerWaalsContact C-N 3.26Å; L34-F36 PolarHBondContact O-N 2.82Å; L34-K37 WeakPolarHBondContact O-CB 3.43Å; L34-K37 PolarHBondContact O-N 3.33Å; L34-S38 PolarHBondContact O-N 2.84Å; L34-S38 VanDerWaalsContact O-N 3.12Å; L34-S38 PolarHBondContact O-OG 3.31Å |
| 35 | A | 84.8 | Confident | 86 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 41% | 0.405 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.8 | -28.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T31 N32 S38 Q39 | T31-A35 WeakPolarHBondContact O-CB 3.41Å; T31-A35 PolarHBondContact O-N 3.05Å; N32-A35 PolarHBondContact O-N 3.44Å; A35-S38 PolarHBondContact O-OG 3.25Å; A35-Q39 WeakPolarHBondContact O-CG 3.41Å |
| 36 | F | 86.4 | Confident | 85.8 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72 | -45.4 | 170.2 | -179.5 | -89.9 | 0 | 0 | 0 | 111.5 | A4 V9 N32 L33 L34 S38 Q39 A42 L45 F64 | A4-F36 HydrophobicContact CB-CD2 4.04Å; A4-F36 HydrophobicContact CB-CE2 4.49Å; V9-F36 HydrophobicContact CG2-CD1 4.13Å; V9-F36 HydrophobicContact CG2-CD2 3.64Å; V9-F36 HydrophobicContact CG2-CE1 4.21Å; V9-F36 HydrophobicContact CG2-CE2 3.74Å; V9-F36 HydrophobicContact CG2-CG 3.83Å; V9-F36 HydrophobicContact CG2-CZ 4.02Å; N32-F36 PolarHBondContact O-N 3.5Å; L33-F36 PolarHBondContact O-N 2.94Å; L34-F36 VanDerWaalsContact C-N 3.26Å; L34-F36 PolarHBondContact O-N 2.82Å; F36-S38 PolarHBondContact O-N 2.81Å; F36-Q39 WeakPolarHBondContact O-CB 3.47Å; F36-Q39 PolarHBondContact O-N 2.69Å; F36-A42 HydrophobicContact CD1-CB 4.07Å; F36-A42 HydrophobicContact CE1-CB 3.67Å; F36-A42 HydrophobicContact CZ-CB 3.97Å; F36-A42 WeakPolarHBondContact O-CB 3.42Å; F36-L45 HydrophobicContact CZ-CD1 4.3Å; F36-F64 HydrophobicContact CB-CZ 4.41Å; F36-F64 AromaticContact CD1-CE1 3.44Å; F36-F64 HydrophobicContact CD1-CE1 3.44Å; F36-F64 VanDerWaalsContact CD1-CE1 3.44Å; F36-F64 AromaticContact CD1-CZ 3.63Å; F36-F64 HydrophobicContact CD1-CZ 3.63Å; F36-F64 AromaticContact CE1-CE1 3.74Å; F36-F64 HydrophobicContact CE1-CE1 3.74Å; F36-F64 HydrophobicContact CE1-CZ 4.38Å; F36-F64 HydrophobicContact CG-CE1 4.41Å; F36-F64 HydrophobicContact CG-CZ 4.39Å |
| 37 | K | 84.4 | Confident | 85.8 | Confident | 38 Ų | 38 | 59 Ų | 59 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.8 | -31.5 | 178.2 | -78.9 | -177.6 | 166.6 | -172.4 | 0 | 113.1 | L33 L34 Q39 F64 S67 T68 R76 | L33-K37 WeakPolarHBondContact O-CG 3.45Å; L33-K37 PolarHBondContact O-N 3.24Å; L34-K37 WeakPolarHBondContact O-CB 3.43Å; L34-K37 PolarHBondContact O-N 3.33Å; K37-Q39 VanDerWaalsContact C-N 3.32Å; K37-F64 HydrophobicContact CD-CE2 4.07Å; K37-F64 HydrophobicContact CD-CZ 4.47Å; K37-F64 HydrophobicContact CG-CE2 3.88Å; K37-F64 HydrophobicContact CG-CZ 3.78Å; K37-S67 PolarHBondContact NZ-OG 3.21Å; K37-T68 HydrophobicContact CG-CG2 4.2Å; K37-R76 PolarHBondContact O-NH1 3.29Å |
| 38 | S | 79.7 | Confident | 85.6 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -7.2 | 177.6 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | L34 A35 F36 R76 | L34-S38 PolarHBondContact O-N 2.84Å; L34-S38 VanDerWaalsContact O-N 3.12Å; L34-S38 PolarHBondContact O-OG 3.31Å; A35-S38 PolarHBondContact O-OG 3.25Å; F36-S38 PolarHBondContact O-N 2.81Å; S38-R76 VanDerWaalsContact C-NH1 3.25Å; S38-R76 PolarHBondContact O-NH1 2.92Å; S38-R76 PolarHBondContact O-NH2 3.2Å |
| 39 | Q | 83.9 | Confident | 85.4 | Confident | 63 Ų | 63 | 55 Ų | 55 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -72.5 | 139.5 | 178.6 | -63 | -178.6 | 6.2 | 0 | 0 | 111.9 | A35 F36 K37 E41 A42 R76 | A35-Q39 WeakPolarHBondContact O-CG 3.41Å; F36-Q39 WeakPolarHBondContact O-CB 3.47Å; F36-Q39 PolarHBondContact O-N 2.69Å; K37-Q39 VanDerWaalsContact C-N 3.32Å; Q39-E41 VanDerWaalsContact C-N 3.32Å; Q39-E41 PolarHBondContact O-N 2.75Å; Q39-A42 HydrophobicContact CB-CB 4.14Å; Q39-A42 WeakPolarHBondContact O-CB 3.47Å; Q39-A42 PolarHBondContact O-N 3.33Å; Q39-R76 VanDerWaalsContact C-NH1 3.27Å; Q39-R76 PolarHBondContact O-NH1 3.07Å |
| 40 | P | 79.1 | Confident | 85.1 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 60% | 0.597 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -28.2 | -175.8 | 25.3 | -33.7 | 0 | 0 | 0 | 114.3 | W43 | P40-W43 PolarHBondContact O-NE1 2.99Å; P40-W43 VanDerWaalsContact O-NE1 3.11Å |
| 41 | E | 81.9 | Confident | 84.6 | Confident | 135 Ų | 135 | 52.5 Ų | 52.5 | 63% | 0.631 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -6.3 | -179.1 | -63 | -178.4 | 179.6 | 0 | 0 | 113.3 | Q39 W43 Q44 | Q39-E41 VanDerWaalsContact C-N 3.32Å; Q39-E41 PolarHBondContact O-N 2.75Å; E41-W43 VanDerWaalsContact C-N 3.25Å; E41-W43 PolarHBondContact O-N 3Å; E41-Q44 PolarHBondContact O-N 2.94Å; E41-Q44 VanDerWaalsContact O-N 3.1Å |
| 42 | A | 85.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.6 | -37.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F36 Q39 Q44 L45 C46 T68 | F36-A42 HydrophobicContact CD1-CB 4.07Å; F36-A42 HydrophobicContact CE1-CB 3.67Å; F36-A42 HydrophobicContact CZ-CB 3.97Å; F36-A42 WeakPolarHBondContact O-CB 3.42Å; Q39-A42 HydrophobicContact CB-CB 4.14Å; Q39-A42 WeakPolarHBondContact O-CB 3.47Å; Q39-A42 PolarHBondContact O-N 3.33Å; A42-Q44 VanDerWaalsContact C-N 3.31Å; A42-Q44 PolarHBondContact O-N 3.27Å; A42-L45 PolarHBondContact O-N 3.37Å; A42-C46 WeakPolarHBondContact O-CB 3.49Å; A42-C46 PolarHBondContact O-N 2.93Å; A42-C46 PolarHBondContact O-SG 3.45Å; A42-T68 HydrophobicContact CB-CG2 4.32Å |
| 43 | W | 87.9 | Confident | 82.9 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 179.6 | 72.8 | -92.7 | 0 | 0 | 0 | 112.6 | P40 E41 C46 L47 L69 T72 L80 D84 L87 L88 | P40-W43 PolarHBondContact O-NE1 2.99Å; P40-W43 VanDerWaalsContact O-NE1 3.11Å; E41-W43 VanDerWaalsContact C-N 3.25Å; E41-W43 PolarHBondContact O-N 3Å; W43-C46 PolarHBondContact O-N 3.42Å; W43-L47 HydrophobicContact CE3-CD2 4.33Å; W43-L47 HydrophobicContact CZ3-CD2 3.96Å; W43-L47 WeakPolarHBondContact O-CB 3.49Å; W43-L47 PolarHBondContact O-N 2.79Å; W43-L69 HydrophobicContact CB-CD2 4.21Å; W43-L69 WeakPolarHBondContact O-CD2 3.42Å; W43-T72 HydrophobicContact CB-CG2 3.82Å; W43-T72 HydrophobicContact CG-CG2 4.02Å; W43-L80 HydrophobicContact CD2-CD2 4.28Å; W43-L80 HydrophobicContact CG-CD2 4.48Å; W43-L80 HydrophobicContact CZ2-CD2 4Å; W43-D84 HydrophobicContact CH2-CB 3.69Å; W43-D84 HydrophobicContact CZ2-CB 3.59Å; W43-L87 HydrophobicContact CH2-CD2 4.33Å; W43-L88 HydrophobicContact CE3-CD1 3.75Å; W43-L88 HydrophobicContact CZ3-CB 4.35Å; W43-L88 HydrophobicContact CZ3-CD1 3.97Å |
| 44 | Q | 88.3 | Confident | 81.5 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 178.8 | -63.5 | -178.2 | -9.1 | 0 | 0 | 111.3 | E41 A42 R48 | E41-Q44 PolarHBondContact O-N 2.94Å; E41-Q44 VanDerWaalsContact O-N 3.1Å; A42-Q44 VanDerWaalsContact C-N 3.31Å; A42-Q44 PolarHBondContact O-N 3.27Å; Q44-R48 PolarHBondContact O-N 2.92Å |
| 45 | L | 85.1 | Confident | 80 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.4 | -46.6 | 175.4 | -59.9 | -177.8 | 0 | 0 | 0 | 110.6 | L6 F36 A42 L47 R48 V49 | L6-L45 HydrophobicContact CD1-CB 3.76Å; F36-L45 HydrophobicContact CZ-CD1 4.3Å; A42-L45 PolarHBondContact O-N 3.37Å; L45-L47 PolarHBondContact O-N 3.1Å; L45-R48 PolarHBondContact O-N 3.44Å; L45-V49 WeakPolarHBondContact O-CG2 3.44Å; L45-V49 PolarHBondContact O-N 2.89Å |
| 46 | C | 87.6 | Confident | 78.5 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 178.2 | -70.2 | 0 | 0 | 0 | 0 | 113.3 | A42 W43 V49 A50 T68 L69 | A42-C46 WeakPolarHBondContact O-CB 3.49Å; A42-C46 PolarHBondContact O-N 2.93Å; A42-C46 PolarHBondContact O-SG 3.45Å; W43-C46 PolarHBondContact O-N 3.42Å; C46-V49 PolarHBondContact O-N 3.48Å; C46-A50 VanDerWaalsContact O-CB 3.3Å; C46-A50 WeakPolarHBondContact O-CB 3.41Å; C46-A50 PolarHBondContact O-N 2.91Å; C46-T68 HydrophobicContact CB-CG2 4.46Å; C46-L69 HydrophobicContact CB-CD2 4.39Å; C46-L69 HydrophobicContact CB-CG 4.31Å |
| 47 | L | 87.1 | Confident | 77.1 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 177 | -178.4 | 62.6 | 0 | 0 | 0 | 111.1 | W43 L45 V49 A50 T51 L69 L88 T91 L92 | W43-L47 HydrophobicContact CE3-CD2 4.33Å; W43-L47 HydrophobicContact CZ3-CD2 3.96Å; W43-L47 WeakPolarHBondContact O-CB 3.49Å; W43-L47 PolarHBondContact O-N 2.79Å; L45-L47 PolarHBondContact O-N 3.1Å; L47-V49 VanDerWaalsContact C-N 3.27Å; L47-V49 PolarHBondContact O-N 2.86Å; L47-A50 PolarHBondContact O-N 2.73Å; L47-A50 VanDerWaalsContact O-N 3.16Å; L47-T51 HydrophobicContact CD1-CG2 4.05Å; L47-T51 PolarHBondContact O-N 3.27Å; L47-T51 PolarHBondContact O-OG1 3.32Å; L47-L69 HydrophobicContact CB-CD2 4.08Å; L47-L69 HydrophobicContact CD1-CD1 4.32Å; L47-L69 HydrophobicContact CD1-CD2 4.46Å; L47-L88 HydrophobicContact CD1-CD1 4.08Å; L47-L88 HydrophobicContact CD2-CD1 4.18Å; L47-T91 WeakPolarHBondContact CD2-OG1 3.29Å; L47-L92 HydrophobicContact CD1-CD2 3.9Å; L47-L92 HydrophobicContact CD1-CG 3.95Å |
| 48 | R | 85.2 | Confident | 76.5 | Confident | 171 Ų | 171 | 64.1 Ų | 64.1 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.4 | -38.2 | 178.5 | -69.2 | -172 | -65.4 | 164.7 | -0.5 | 112.7 | Q44 L45 S52 | Q44-R48 PolarHBondContact O-N 2.92Å; L45-R48 PolarHBondContact O-N 3.44Å; R48-S52 WeakPolarHBondContact O-CB 3.41Å; R48-S52 PolarHBondContact O-N 3.11Å |
| 49 | V | 84.4 | Confident | 76.5 | Confident | 25 Ų | 25 | 67 Ų | 67 | 15% | 0.152 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.6 | -38 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | L6 L45 C46 L47 T51 S52 L61 | L6-V49 HydrophobicContact CD1-CG2 3.71Å; L6-V49 HydrophobicContact CD2-CG2 3.42Å; L6-V49 VanDerWaalsContact CD2-CG2 3.42Å; L6-V49 HydrophobicContact CG-CG2 4.14Å; L45-V49 WeakPolarHBondContact O-CG2 3.44Å; L45-V49 PolarHBondContact O-N 2.89Å; C46-V49 PolarHBondContact O-N 3.48Å; L47-V49 VanDerWaalsContact C-N 3.27Å; L47-V49 PolarHBondContact O-N 2.86Å; V49-T51 VanDerWaalsContact C-N 3.32Å; V49-T51 PolarHBondContact O-N 3.24Å; V49-S52 PolarHBondContact O-OG 3.38Å; V49-L61 HydrophobicContact CG1-CD2 4.33Å; V49-L61 HydrophobicContact CG1-CG 4.16Å |
| 50 | A | 82.2 | Confident | 76.4 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.9 | -32.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C46 L47 W62 T66 L69 | C46-A50 VanDerWaalsContact O-CB 3.3Å; C46-A50 WeakPolarHBondContact O-CB 3.41Å; C46-A50 PolarHBondContact O-N 2.91Å; L47-A50 PolarHBondContact O-N 2.73Å; L47-A50 VanDerWaalsContact O-N 3.16Å; A50-W62 PolarHBondContact O-NE1 3.22Å; A50-T66 HydrophobicContact CB-CG2 4.22Å; A50-L69 HydrophobicContact CB-CD1 3.61Å |
| 51 | T | 77.9 | Confident | 76.7 | Confident | 39 Ų | 39 | 64 Ų | 64 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -100.9 | -3.5 | -176.4 | 63 | 0 | 0 | 0 | 0 | 114.7 | L47 V49 L92 | L47-T51 HydrophobicContact CD1-CG2 4.05Å; L47-T51 PolarHBondContact O-N 3.27Å; L47-T51 PolarHBondContact O-OG1 3.32Å; V49-T51 VanDerWaalsContact C-N 3.32Å; V49-T51 PolarHBondContact O-N 3.24Å; T51-L92 HydrophobicContact CG2-CD2 4.1Å |
| 52 | S | 76.4 | Confident | 76.9 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | trans | -68.8 | 142.4 | 178.3 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | R48 V49 D54 T55 | R48-S52 WeakPolarHBondContact O-CB 3.41Å; R48-S52 PolarHBondContact O-N 3.11Å; V49-S52 PolarHBondContact O-OG 3.38Å; S52-D54 VanDerWaalsContact C-N 3.25Å; S52-D54 PolarHBondContact O-N 3.03Å; S52-T55 WeakPolarHBondContact O-CG2 3.42Å | ||
| 53 | S | 59.7 | Low | 76.9 | Confident | 109 Ų | 109 | 60.5 Ų | 60.5 | 76% | 0.762 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.4 | 179 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | T55 | S53-T55 VanDerWaalsContact C-N 3.28Å; S53-T55 PolarHBondContact O-N 3.27Å |
| 54 | D | 58.3 | Low | 76.9 | Confident | 121 Ų | 121 | 60.9 Ų | 60.9 | 65% | 0.647 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 35.2 | -174.2 | -63.3 | -19 | 0 | 0 | 0 | 113 | S52 T56 | S52-D54 VanDerWaalsContact C-N 3.25Å; S52-D54 PolarHBondContact O-N 3.03Å; D54-T56 PolarHBondContact O-N 3.48Å |
| 55 | T | 54.9 | Low | 76.9 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 20% | 0.202 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -3.5 | -176.3 | 29.4 | 0 | 0 | 0 | 0 | 116.4 | S52 S53 W62 | S52-T55 WeakPolarHBondContact O-CG2 3.42Å; S53-T55 VanDerWaalsContact C-N 3.28Å; S53-T55 PolarHBondContact O-N 3.27Å; T55-W62 HydrophobicContact CG2-CG 4.43Å |
| 56 | T | 52.2 | Low | 77.1 | Confident | 102 Ų | 102 | 55.4 Ų | 55.4 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -14 | -171.7 | 47.8 | 0 | 0 | 0 | 0 | 115.4 | D54 | D54-T56 PolarHBondContact O-N 3.48Š|
| 57 | E | 57.6 | Low | 77.1 | Confident | 184 Ų | 184 | 57.3 Ų | 57.3 | 86% | 0.86 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -85.1 | -30 | -174.1 | -67.3 | -166 | 160.8 | 0 | 0 | 114.3 | ||
| 58 | N | 72.3 | Confident | 77.2 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | trans | -145.9 | 86.2 | 179.5 | -154 | -31.6 | 0 | 0 | 0 | 114.4 | E10 Q14 F60 L61 W62 | E10-N58 VanDerWaalsContact CD-ND2 3.3Å; E10-N58 WeakPolarHBondContact CG-ND2 3.47Å; E10-N58 PolarHBondContact OE1-ND2 2.99Å; Q14-N58 PolarHBondContact NE2-ND2 3.07Å; N58-F60 VanDerWaalsContact C-N 3.29Å; N58-F60 PolarHBondContact O-N 2.87Å; N58-L61 HydrophobicContact CB-CB 4.18Å; N58-L61 PolarHBondContact O-N 3.43Å; N58-W62 PolarHBondContact O-N 3.17Å | ||
| 59 | Q | 79 | Confident | 77.4 | Confident | 110 Ų | 110 | 48.7 Ų | 48.7 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.3 | -35.8 | -178 | -64.7 | -179.7 | 1.3 | 0 | 0 | 113.1 | W62 F63 | Q59-W62 PolarHBondContact O-N 2.86Å; Q59-F63 HydrophobicContact CB-CE2 4.34Å; Q59-F63 WeakPolarHBondContact O-CD2 3.19Å; Q59-F63 PolarHBondContact O-N 3.29Å |
| 60 | F | 83.4 | Confident | 77.7 | Confident | 81 Ų | 81 | 50.1 Ų | 50.1 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | -179.6 | -56.9 | -60 | 0 | 0 | 0 | 111.9 | L13 Y17 N58 W62 F63 F64 | L13-F60 HydrophobicContact CB-CB 4.23Å; Y17-F60 HydrophobicContact CD1-CD1 4.49Å; Y17-F60 HydrophobicContact CD1-CE1 4.08Å; Y17-F60 HydrophobicContact CD2-CB 4.27Å; Y17-F60 AromaticContact CD2-CD1 3.34Å; Y17-F60 HydrophobicContact CD2-CD1 3.34Å; Y17-F60 HydrophobicContact CD2-CD2 4.26Å; Y17-F60 AromaticContact CD2-CE1 3.59Å; Y17-F60 HydrophobicContact CD2-CE1 3.59Å; Y17-F60 HydrophobicContact CD2-CE2 4.46Å; Y17-F60 AromaticContact CD2-CG 3.71Å; Y17-F60 HydrophobicContact CD2-CG 3.71Å; Y17-F60 HydrophobicContact CD2-CZ 4.16Å; Y17-F60 HydrophobicContact CE1-CD1 4.46Å; Y17-F60 HydrophobicContact CE1-CE1 4.32Å; Y17-F60 HydrophobicContact CE2-CB 4.13Å; Y17-F60 AromaticContact CE2-CD1 3.31Å; Y17-F60 HydrophobicContact CE2-CD1 3.31Å; Y17-F60 AromaticContact CE2-CE1 3.88Å; Y17-F60 HydrophobicContact CE2-CE1 3.88Å; Y17-F60 AromaticContact CE2-CG 3.88Å; Y17-F60 HydrophobicContact CE2-CG 3.88Å; Y17-F60 AromaticContact CG-CD1 3.98Å; Y17-F60 HydrophobicContact CG-CD1 3.98Å; Y17-F60 AromaticContact CG-CE1 3.71Å; Y17-F60 HydrophobicContact CG-CE1 3.71Å; Y17-F60 HydrophobicContact CG-CZ 4.1Å; Y17-F60 AromaticContact CZ-CD1 3.91Å; N58-F60 VanDerWaalsContact C-N 3.29Å; N58-F60 PolarHBondContact O-N 2.87Å; F60-W62 VanDerWaalsContact C-N 3.31Å; F60-W62 PolarHBondContact O-N 3.24Å; F60-F63 PolarHBondContact O-N 3.02Å; F60-F64 PolarHBondContact O-N 3.48Å |
| 61 | L | 85.1 | Confident | 77.9 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.5 | -175.5 | 63.5 | 0 | 0 | 0 | 111.5 | L6 V9 E10 L13 V49 N58 S65 | L6-L61 HydrophobicContact CD2-CD2 3.84Å; L6-L61 HydrophobicContact CG-CD1 4.42Å; L6-L61 HydrophobicContact CG-CD2 4.45Å; V9-L61 HydrophobicContact CB-CD1 4.49Å; V9-L61 HydrophobicContact CG1-CD1 4Å; E10-L61 HydrophobicContact CB-CD1 4.48Å; E10-L61 HydrophobicContact CB-CD2 4.36Å; E10-L61 HydrophobicContact CG-CD2 4.24Å; L13-L61 HydrophobicContact CD1-CB 4.45Å; L13-L61 HydrophobicContact CD1-CD1 4.17Å; V49-L61 HydrophobicContact CG1-CD2 4.33Å; V49-L61 HydrophobicContact CG1-CG 4.16Å; N58-L61 HydrophobicContact CB-CB 4.18Å; N58-L61 PolarHBondContact O-N 3.43Å; L61-S65 VanDerWaalsContact O-CB 3.26Å; L61-S65 WeakPolarHBondContact O-CB 3.48Å; L61-S65 PolarHBondContact O-N 2.85Å; L61-S65 PolarHBondContact O-OG 3.12Å |
| 62 | W | 85.6 | Confident | 78.4 | Confident | 6 Ų | 6 | 51 Ų | 51 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 174.9 | -174.8 | 87.3 | 0 | 0 | 0 | 112.6 | A50 T55 N58 Q59 F60 S65 T66 H109 T112 | A50-W62 PolarHBondContact O-NE1 3.22Å; T55-W62 HydrophobicContact CG2-CG 4.43Å; N58-W62 PolarHBondContact O-N 3.17Å; Q59-W62 PolarHBondContact O-N 2.86Å; F60-W62 VanDerWaalsContact C-N 3.31Å; F60-W62 PolarHBondContact O-N 3.24Å; W62-S65 PolarHBondContact O-N 2.88Å; W62-T66 HydrophobicContact CD2-CG2 4.03Å; W62-T66 HydrophobicContact CE3-CG2 4.37Å; W62-T66 HydrophobicContact CH2-CG2 4.02Å; W62-T66 HydrophobicContact CZ2-CG2 3.59Å; W62-T66 HydrophobicContact CZ3-CG2 4.37Å; W62-T66 WeakPolarHBondContact O-CG2 3.41Å; W62-T66 PolarHBondContact O-N 3.36Å; W62-T66 PolarHBondContact O-OG1 3.39Å; W62-H109 AromaticContact CD2-CE1 3.57Å; W62-H109 AromaticContact CD2-ND1 3.54Å; W62-H109 AromaticContact CE2-CE1 3.54Å; W62-H109 AromaticContact CE2-ND1 3.03Å; W62-H109 AromaticContact CE3-CE1 3.92Å; W62-H109 AromaticContact CE3-ND1 3.93Å; W62-H109 HydrophobicContact CH2-CB 4.45Å; W62-H109 AromaticContact CH2-ND1 3.39Å; W62-H109 WeakPolarHBondContact CH2-ND1 3.49Å; W62-H109 HydrophobicContact CZ2-CB 4.17Å; W62-H109 AromaticContact CZ2-CE1 3.87Å; W62-H109 AromaticContact CZ2-CG 3.9Å; W62-H109 AromaticContact CZ2-ND1 2.97Å; W62-H109 WeakPolarHBondContact CZ2-ND1 3.25Å; W62-H109 AromaticContact CZ3-ND1 3.85Å; W62-H109 AromaticContact NE1-CE1 3.88Å; W62-H109 AromaticContact NE1-ND1 3.49Å; W62-H109 PolarHBondContact NE1-ND1 3.23Å; W62-T112 HydrophobicContact CH2-CG2 3.86Å; W62-T112 HydrophobicContact CZ2-CG2 4.38Å |
| 63 | F | 85.5 | Confident | 79 | Confident | 57 Ų | 57 | 48.6 Ų | 48.6 | 25% | 0.25 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 174.1 | -78.6 | -61.2 | 0 | 0 | 0 | 112.7 | Q59 F60 S65 T66 S67 | Q59-F63 HydrophobicContact CB-CE2 4.34Å; Q59-F63 WeakPolarHBondContact O-CD2 3.19Å; Q59-F63 PolarHBondContact O-N 3.29Å; F60-F63 PolarHBondContact O-N 3.02Å; F63-S65 VanDerWaalsContact C-N 3.3Å; F63-S65 PolarHBondContact O-N 3.45Å; F63-T66 WeakPolarHBondContact CA-OG1 3.47Å; F63-T66 PolarHBondContact O-OG1 3.01Å; F63-T66 VanDerWaalsContact O-OG1 3.05Å; F63-S67 VanDerWaalsContact O-CB 3.24Å; F63-S67 WeakPolarHBondContact O-CB 3.4Å; F63-S67 PolarHBondContact O-N 2.85Å |
| 64 | F | 87.6 | Confident | 80.2 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 176.5 | 179.7 | -99.1 | 0 | 0 | 0 | 111.3 | V9 L13 L33 F36 K37 F60 S67 T68 | V9-F64 HydrophobicContact CG1-CD1 3.54Å; V9-F64 HydrophobicContact CG1-CE1 3.5Å; V9-F64 VanDerWaalsContact CG1-CE1 3.5Å; V9-F64 HydrophobicContact CG1-CG 4.33Å; V9-F64 HydrophobicContact CG1-CZ 4.27Å; L13-F64 HydrophobicContact CD1-CB 3.64Å; L13-F64 HydrophobicContact CD1-CD1 4.4Å; L13-F64 HydrophobicContact CD1-CG 4.02Å; L13-F64 HydrophobicContact CD2-CB 4.24Å; L13-F64 HydrophobicContact CD2-CD2 4.42Å; L13-F64 HydrophobicContact CD2-CG 4.46Å; L33-F64 HydrophobicContact CB-CE2 3.82Å; L33-F64 HydrophobicContact CB-CZ 4.33Å; L33-F64 HydrophobicContact CD2-CD2 4.28Å; L33-F64 HydrophobicContact CD2-CE2 3.84Å; L33-F64 HydrophobicContact CD2-CZ 3.98Å; L33-F64 HydrophobicContact CG-CE2 4.28Å; F36-F64 HydrophobicContact CB-CZ 4.41Å; F36-F64 AromaticContact CD1-CE1 3.44Å; F36-F64 HydrophobicContact CD1-CE1 3.44Å; F36-F64 VanDerWaalsContact CD1-CE1 3.44Å; F36-F64 AromaticContact CD1-CZ 3.63Å; F36-F64 HydrophobicContact CD1-CZ 3.63Å; F36-F64 AromaticContact CE1-CE1 3.74Å; F36-F64 HydrophobicContact CE1-CE1 3.74Å; F36-F64 HydrophobicContact CE1-CZ 4.38Å; F36-F64 HydrophobicContact CG-CE1 4.41Å; F36-F64 HydrophobicContact CG-CZ 4.39Å; K37-F64 HydrophobicContact CD-CE2 4.07Å; K37-F64 HydrophobicContact CD-CZ 4.47Å; K37-F64 HydrophobicContact CG-CE2 3.88Å; K37-F64 HydrophobicContact CG-CZ 3.78Å; F60-F64 PolarHBondContact O-N 3.48Å; F64-S67 PolarHBondContact O-N 3.29Å; F64-T68 WeakPolarHBondContact O-CB 3.48Å; F64-T68 PolarHBondContact O-N 3.05Å; F64-T68 PolarHBondContact O-OG1 3.12Å |
| 65 | S | 88.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -47.8 | 179.4 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | L61 W62 F63 S67 T68 L69 | L61-S65 VanDerWaalsContact O-CB 3.26Å; L61-S65 WeakPolarHBondContact O-CB 3.48Å; L61-S65 PolarHBondContact O-N 2.85Å; L61-S65 PolarHBondContact O-OG 3.12Å; W62-S65 PolarHBondContact O-N 2.88Å; F63-S65 VanDerWaalsContact C-N 3.3Å; F63-S65 PolarHBondContact O-N 3.45Å; S65-S67 PolarHBondContact O-N 3.21Å; S65-T68 WeakPolarHBondContact O-CB 3.49Å; S65-T68 PolarHBondContact O-N 3.45Å; S65-T68 VanDerWaalsContact O-N 3.16Å; S65-L69 WeakPolarHBondContact O-CG 3.38Å; S65-L69 PolarHBondContact O-N 3.16Å |
| 66 | T | 88.2 | Confident | 82.6 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 176.2 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | A50 W62 F63 T68 L69 E70 T112 L116 | A50-T66 HydrophobicContact CB-CG2 4.22Å; W62-T66 HydrophobicContact CD2-CG2 4.03Å; W62-T66 HydrophobicContact CE3-CG2 4.37Å; W62-T66 HydrophobicContact CH2-CG2 4.02Å; W62-T66 HydrophobicContact CZ2-CG2 3.59Å; W62-T66 HydrophobicContact CZ3-CG2 4.37Å; W62-T66 WeakPolarHBondContact O-CG2 3.41Å; W62-T66 PolarHBondContact O-N 3.36Å; W62-T66 PolarHBondContact O-OG1 3.39Å; F63-T66 WeakPolarHBondContact CA-OG1 3.47Å; F63-T66 PolarHBondContact O-OG1 3.01Å; F63-T66 VanDerWaalsContact O-OG1 3.05Å; T66-T68 VanDerWaalsContact C-N 3.29Å; T66-T68 PolarHBondContact O-N 3.06Å; T66-L69 PolarHBondContact O-N 3.37Å; T66-E70 PolarHBondContact O-N 2.85Å; T66-T112 HydrophobicContact CG2-CG2 3.78Å; T66-L116 HydrophobicContact CG2-CD1 4.46Å |
| 67 | S | 88.9 | Confident | 84.2 | Confident | 41 Ų | 41 | 36.2 Ų | 36.2 | 29% | 0.287 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.1 | -32.9 | 173.2 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | K37 F63 F64 S65 H71 | K37-S67 PolarHBondContact NZ-OG 3.21Å; F63-S67 VanDerWaalsContact O-CB 3.24Å; F63-S67 WeakPolarHBondContact O-CB 3.4Å; F63-S67 PolarHBondContact O-N 2.85Å; F64-S67 PolarHBondContact O-N 3.29Å; S65-S67 PolarHBondContact O-N 3.21Å; S67-H71 WeakPolarHBondContact O-CB 3.49Å; S67-H71 PolarHBondContact O-N 3.17Å |
| 68 | T | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.6 | -39.3 | 174.9 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | K37 A42 C46 F64 S65 T66 H71 T72 | K37-T68 HydrophobicContact CG-CG2 4.2Å; A42-T68 HydrophobicContact CB-CG2 4.32Å; C46-T68 HydrophobicContact CB-CG2 4.46Å; F64-T68 WeakPolarHBondContact O-CB 3.48Å; F64-T68 PolarHBondContact O-N 3.05Å; F64-T68 PolarHBondContact O-OG1 3.12Å; S65-T68 WeakPolarHBondContact O-CB 3.49Å; S65-T68 PolarHBondContact O-N 3.45Å; S65-T68 VanDerWaalsContact O-N 3.16Å; T66-T68 VanDerWaalsContact C-N 3.29Å; T66-T68 PolarHBondContact O-N 3.06Å; T68-H71 PolarHBondContact O-N 3.17Å; T68-T72 WeakPolarHBondContact O-CB 3.42Å; T68-T72 PolarHBondContact O-N 2.66Å; T68-T72 PolarHBondContact O-OG1 3.46Å |
| 69 | L | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 173 | -65.4 | 173.1 | 0 | 0 | 0 | 111.5 | W43 C46 L47 A50 S65 T66 H71 T72 I73 L88 L116 | W43-L69 HydrophobicContact CB-CD2 4.21Å; W43-L69 WeakPolarHBondContact O-CD2 3.42Å; C46-L69 HydrophobicContact CB-CD2 4.39Å; C46-L69 HydrophobicContact CB-CG 4.31Å; L47-L69 HydrophobicContact CB-CD2 4.08Å; L47-L69 HydrophobicContact CD1-CD1 4.32Å; L47-L69 HydrophobicContact CD1-CD2 4.46Å; A50-L69 HydrophobicContact CB-CD1 3.61Å; S65-L69 WeakPolarHBondContact O-CG 3.38Å; S65-L69 PolarHBondContact O-N 3.16Å; T66-L69 PolarHBondContact O-N 3.37Å; L69-H71 VanDerWaalsContact C-N 3.33Å; L69-H71 PolarHBondContact O-N 3Å; L69-T72 WeakPolarHBondContact O-CB 3.25Å; L69-T72 PolarHBondContact O-N 3.02Å; L69-T72 VanDerWaalsContact O-N 3.09Å; L69-I73 VanDerWaalsContact O-CG1 3.29Å; L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 2.91Å; L69-L88 HydrophobicContact CD2-CD1 4.05Å; L69-L116 HydrophobicContact CB-CD1 4.04Å; L69-L116 HydrophobicContact CB-CD2 4.07Å; L69-L116 HydrophobicContact CD1-CD1 3.94Å |
| 70 | E | 90.6 | Very high | 86.2 | Confident | 54 Ų | 54 | 31.2 Ų | 31.2 | 25% | 0.252 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -56.1 | -47.7 | 174.2 | -178.8 | -176.9 | -172 | 0 | 0 | 111.1 | T66 T72 I73 T74 L116 L119 R162 | T66-E70 PolarHBondContact O-N 2.85Å; E70-T72 VanDerWaalsContact C-N 3.3Å; E70-T72 PolarHBondContact O-N 2.65Å; E70-I73 PolarHBondContact O-N 3.13Å; E70-T74 HydrophobicContact CG-CG2 4.31Å; E70-T74 WeakPolarHBondContact O-CB 3.49Å; E70-T74 VanDerWaalsContact O-CG2 3.3Å; E70-T74 WeakPolarHBondContact O-CG2 3.49Å; E70-T74 PolarHBondContact O-N 3.42Å; E70-T74 PolarHBondContact O-OG1 3.5Å; E70-L116 HydrophobicContact CB-CD2 3.91Å; E70-L119 HydrophobicContact CG-CD1 3.92Å; E70-R162 IonicContact OE1-CZ 2.69Å; E70-R162 IonicContact OE1-NH1 2.75Å; E70-R162 PolarHBondContact OE1-NH1 3.48Å |
| 71 | H | 87.4 | Confident | 86.3 | Confident | 57 Ų | 57 | 30.6 Ų | 30.6 | 26% | 0.264 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.2 | -40.5 | 175.7 | -178.7 | 74.3 | 0 | 0 | 0 | 112 | S67 T68 L69 T74 R75 | S67-H71 WeakPolarHBondContact O-CB 3.49Å; S67-H71 PolarHBondContact O-N 3.17Å; T68-H71 PolarHBondContact O-N 3.17Å; L69-H71 VanDerWaalsContact C-N 3.33Å; L69-H71 PolarHBondContact O-N 3Å; H71-T74 WeakPolarHBondContact CA-OG1 3.48Å; H71-T74 PolarHBondContact O-N 3.18Å; H71-T74 PolarHBondContact O-OG1 3.3Å; H71-R75 WeakPolarHBondContact O-CB 3.3Å; H71-R75 PolarHBondContact O-N 3.02Å |
| 72 | T | 87.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | W43 T68 L69 E70 R76 W77 L80 | W43-T72 HydrophobicContact CB-CG2 3.82Å; W43-T72 HydrophobicContact CG-CG2 4.02Å; T68-T72 WeakPolarHBondContact O-CB 3.42Å; T68-T72 PolarHBondContact O-N 2.66Å; T68-T72 PolarHBondContact O-OG1 3.46Å; L69-T72 WeakPolarHBondContact O-CB 3.25Å; L69-T72 PolarHBondContact O-N 3.02Å; L69-T72 VanDerWaalsContact O-N 3.09Å; E70-T72 VanDerWaalsContact C-N 3.3Å; E70-T72 PolarHBondContact O-N 2.65Å; T72-R76 HydrophobicContact CG2-CB 4.4Å; T72-R76 CarbonylContact O-C 3.4Å; T72-R76 VanDerWaalsContact O-C 3.27Å; T72-R76 WeakPolarHBondContact O-CA 3.45Å; T72-R76 PolarHBondContact O-N 3.38Å; T72-W77 PolarHBondContact O-N 2.96Å; T72-W77 VanDerWaalsContact O-N 3.11Å; T72-L80 HydrophobicContact CG2-CD1 4.05Å; T72-L80 HydrophobicContact CG2-CD2 4.27Å; T72-L80 HydrophobicContact CG2-CG 4.42Å |
| 73 | I | 88.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.5 | -37.3 | 179.1 | -61.4 | 164.5 | 0 | 0 | 0 | 111.7 | L69 E70 W77 L88 L116 L119 L120 R123 | L69-I73 VanDerWaalsContact O-CG1 3.29Å; L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 2.91Å; E70-I73 PolarHBondContact O-N 3.13Å; I73-W77 HydrophobicContact CG2-CE3 4.37Å; I73-L88 HydrophobicContact CD1-CD2 4.24Å; I73-L88 HydrophobicContact CG1-CD2 3.95Å; I73-L116 HydrophobicContact CD1-CB 4.28Å; I73-L116 HydrophobicContact CD1-CD2 4Å; I73-L119 HydrophobicContact CG2-CB 3.76Å; I73-L120 HydrophobicContact CD1-CD2 4Å; I73-L120 HydrophobicContact CD1-CG 4.05Å; I73-L120 HydrophobicContact CG1-CD2 3.94Å; I73-L120 HydrophobicContact CG2-CD2 4.01Å; I73-R123 HydrophobicContact CG2-CG 4.44Å; I73-R123 PolarHBondContact O-NE 3.34Å; I73-R123 PolarHBondContact O-NH2 2.98Å |
| 74 | T | 85.7 | Confident | 86.4 | Confident | 15 Ų | 15 | 37.7 Ų | 37.7 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -86.4 | -31.1 | -174.9 | 54.4 | 0 | 0 | 0 | 0 | 114 | E70 H71 L119 R123 D164 | E70-T74 HydrophobicContact CG-CG2 4.31Å; E70-T74 WeakPolarHBondContact O-CB 3.49Å; E70-T74 VanDerWaalsContact O-CG2 3.3Å; E70-T74 WeakPolarHBondContact O-CG2 3.49Å; E70-T74 PolarHBondContact O-N 3.42Å; E70-T74 PolarHBondContact O-OG1 3.5Å; H71-T74 WeakPolarHBondContact CA-OG1 3.48Å; H71-T74 PolarHBondContact O-N 3.18Å; H71-T74 PolarHBondContact O-OG1 3.3Å; T74-L119 HydrophobicContact CG2-CD1 4.21Å; T74-L119 HydrophobicContact CG2-CD2 4.21Å; T74-R123 PolarHBondContact O-NH2 2.67Å; T74-D164 HydrophobicContact CG2-CB 4.27Å |
| 75 | R | 81.9 | Confident | 86.5 | Confident | 55 Ų | 55 | 38.4 Ų | 38.4 | 21% | 0.208 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -118.5 | -30.8 | -173.8 | -61.3 | -65.9 | -176.7 | -159.4 | -4.4 | 114.7 | H71 G163 L1049 N1050 | H71-R75 WeakPolarHBondContact O-CB 3.3Å; H71-R75 PolarHBondContact O-N 3.02Å; R75-G163 PolarHBondContact NH1-O 3.29Å; R75-L1049 VanDerWaalsContact NH1-CD1 3.28Å; R75-N1050 PolarHBondContact O-OD1 2.88Å |
| 76 | R | 81.6 | Confident | 86.5 | Confident | 19 Ų | 19 | 41 Ų | 41 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -114.1 | 16.1 | -171 | -57.8 | -175.8 | 65.3 | -168.1 | 5.9 | 114 | K37 S38 Q39 T72 T78 Q79 | K37-R76 PolarHBondContact O-NH1 3.29Å; S38-R76 VanDerWaalsContact C-NH1 3.25Å; S38-R76 PolarHBondContact O-NH1 2.92Å; S38-R76 PolarHBondContact O-NH2 3.2Å; Q39-R76 VanDerWaalsContact C-NH1 3.27Å; Q39-R76 PolarHBondContact O-NH1 3.07Å; T72-R76 HydrophobicContact CG2-CB 4.4Å; T72-R76 CarbonylContact O-C 3.4Å; T72-R76 VanDerWaalsContact O-C 3.27Å; T72-R76 WeakPolarHBondContact O-CA 3.45Å; T72-R76 PolarHBondContact O-N 3.38Å; R76-T78 PolarHBondContact O-N 3.4Å; R76-Q79 VanDerWaalsContact CZ-OE1 3.28Å; R76-Q79 WeakPolarHBondContact O-CB 3.33Å; R76-Q79 PolarHBondContact O-N 3.5Å |
| 77 | W | 86.1 | Confident | 86.5 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 6% | 0.064 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -57.5 | -34.1 | -176.8 | -171.7 | -109.4 | 0 | 0 | 0 | 114.2 | T72 I73 Q79 L80 K85 L88 L120 R123 E124 | T72-W77 PolarHBondContact O-N 2.96Å; T72-W77 VanDerWaalsContact O-N 3.11Å; I73-W77 HydrophobicContact CG2-CE3 4.37Å; W77-Q79 VanDerWaalsContact C-N 3.3Å; W77-Q79 PolarHBondContact O-N 3.5Å; W77-L80 HydrophobicContact CE3-CD1 3.97Å; W77-L80 HydrophobicContact CZ3-CD1 4.17Å; W77-K85 HydrophobicContact CH2-CB 4.13Å; W77-K85 HydrophobicContact CH2-CD 4.17Å; W77-K85 HydrophobicContact CH2-CG 3.79Å; W77-K85 HydrophobicContact CZ2-CB 4.41Å; W77-K85 HydrophobicContact CZ2-CD 3.73Å; W77-K85 HydrophobicContact CZ2-CG 3.9Å; W77-K85 HydrophobicContact CZ3-CG 4.23Å; W77-K85 WeakPolarHBondContact O-CE 3.5Å; W77-K85 PolarHBondContact O-NZ 3.17Å; W77-L88 HydrophobicContact CZ3-CD2 4.07Å; W77-L120 HydrophobicContact CE3-CD2 4.34Å; W77-L120 HydrophobicContact CH2-CD2 3.37Å; W77-L120 HydrophobicContact CZ3-CD2 3.25Å; W77-R123 HydrophobicContact CD2-CB 4.44Å; W77-R123 HydrophobicContact CD2-CG 4.24Å; W77-R123 HydrophobicContact CG-CG 4.39Å; W77-R123 HydrophobicContact CZ2-CB 4.06Å; W77-E124 HydrophobicContact CH2-CG 4.18Å; W77-E124 HydrophobicContact CZ2-CG 3.62Å; W77-E124 WeakPolarHBondContact CZ2-OE1 3.33Å |
| 78 | T | 81.6 | Confident | 86.6 | Confident | 107 Ų | 107 | 42.6 Ų | 42.6 | 66% | 0.656 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -72 | -22.9 | 178.5 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | R76 | R76-T78 PolarHBondContact O-N 3.4Š|
| 79 | Q | 82.6 | Confident | 86.6 | Confident | 92 Ų | 92 | 45.4 Ų | 45.4 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -82.8 | -13.7 | -179.4 | -57.2 | 179.4 | 3.9 | 0 | 0 | 112.5 | R76 W77 | R76-Q79 VanDerWaalsContact CZ-OE1 3.28Å; R76-Q79 WeakPolarHBondContact O-CB 3.33Å; R76-Q79 PolarHBondContact O-N 3.5Å; W77-Q79 VanDerWaalsContact C-N 3.3Å; W77-Q79 PolarHBondContact O-N 3.5Å |
| 80 | L | 85.1 | Confident | 86.7 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -83.6 | 138.4 | 179.7 | -64.3 | 176.5 | 0 | 0 | 0 | 112.1 | W43 T72 W77 D84 K85 | W43-L80 HydrophobicContact CD2-CD2 4.28Å; W43-L80 HydrophobicContact CG-CD2 4.48Å; W43-L80 HydrophobicContact CZ2-CD2 4Å; T72-L80 HydrophobicContact CG2-CD1 4.05Å; T72-L80 HydrophobicContact CG2-CD2 4.27Å; T72-L80 HydrophobicContact CG2-CG 4.42Å; W77-L80 HydrophobicContact CE3-CD1 3.97Å; W77-L80 HydrophobicContact CZ3-CD1 4.17Å; L80-D84 HydrophobicContact CB-CB 4.33Å; L80-D84 HydrophobicContact CD2-CB 4.3Å; L80-K85 HydrophobicContact CB-CG 4.01Å; L80-K85 HydrophobicContact CD1-CG 4.46Å; L80-K85 WeakPolarHBondContact O-CE 3.24Å |
| 81 | T | 86.9 | Confident | 86.6 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | trans | -71.2 | 161.5 | 172.2 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | T83 D84 K85 | T81-T83 PolarHBondContact O-N 3.02Å; T81-T83 PolarHBondContact OG1-OG1 2.87Å; T81-D84 WeakPolarHBondContact CB-OD2 3.25Å; T81-D84 PolarHBondContact N-OD2 3.46Å; T81-D84 PolarHBondContact O-N 3.3Å; T81-D84 PolarHBondContact OG1-N 2.89Å; T81-D84 PolarHBondContact OG1-OD2 2.99Å; T81-K85 WeakPolarHBondContact O-CG 3.35Å; T81-K85 PolarHBondContact O-N 2.83Å | ||
| 82 | S | 83.9 | Confident | 86.8 | Confident | 93 Ų | 93 | 47.8 Ų | 47.8 | 65% | 0.65 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.9 | -34.4 | 176.5 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | T86 | S82-T86 PolarHBondContact O-N 3.41Å; S82-T86 VanDerWaalsContact O-N 3.16Å; S82-T86 PolarHBondContact O-OG1 3.3Å |
| 83 | T | 86.3 | Confident | 86.9 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -69.6 | -36.7 | 176.2 | 44.4 | 0 | 0 | 0 | 0 | 112.6 | T81 T86 L87 | T81-T83 PolarHBondContact O-N 3.02Å; T81-T83 PolarHBondContact OG1-OG1 2.87Å; T83-T86 WeakPolarHBondContact CA-OG1 3.39Å; T83-T86 PolarHBondContact O-OG1 3.27Å; T83-L87 WeakPolarHBondContact O-CB 3.42Å; T83-L87 PolarHBondContact O-N 2.96Å |
| 84 | D | 87.6 | Confident | 86.9 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 19% | 0.193 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 175.9 | -66.3 | -38.2 | 0 | 0 | 0 | 111.3 | W43 L80 T81 L87 L88 | W43-D84 HydrophobicContact CH2-CB 3.69Å; W43-D84 HydrophobicContact CZ2-CB 3.59Å; L80-D84 HydrophobicContact CB-CB 4.33Å; L80-D84 HydrophobicContact CD2-CB 4.3Å; T81-D84 WeakPolarHBondContact CB-OD2 3.25Å; T81-D84 PolarHBondContact N-OD2 3.46Å; T81-D84 PolarHBondContact O-N 3.3Å; T81-D84 PolarHBondContact OG1-N 2.89Å; T81-D84 PolarHBondContact OG1-OD2 2.99Å; D84-L87 PolarHBondContact O-N 3.39Å; D84-L88 WeakPolarHBondContact O-CB 3.29Å; D84-L88 PolarHBondContact O-N 3.14Å |
| 85 | K | 89.4 | Confident | 87 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 14% | 0.135 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 176.4 | -68.5 | 173.5 | -177.8 | 179.1 | 0 | 111.6 | W77 L80 T81 L88 R89 | W77-K85 HydrophobicContact CH2-CB 4.13Å; W77-K85 HydrophobicContact CH2-CD 4.17Å; W77-K85 HydrophobicContact CH2-CG 3.79Å; W77-K85 HydrophobicContact CZ2-CB 4.41Å; W77-K85 HydrophobicContact CZ2-CD 3.73Å; W77-K85 HydrophobicContact CZ2-CG 3.9Å; W77-K85 HydrophobicContact CZ3-CG 4.23Å; W77-K85 WeakPolarHBondContact O-CE 3.5Å; W77-K85 PolarHBondContact O-NZ 3.17Å; L80-K85 HydrophobicContact CB-CG 4.01Å; L80-K85 HydrophobicContact CD1-CG 4.46Å; L80-K85 WeakPolarHBondContact O-CE 3.24Å; T81-K85 WeakPolarHBondContact O-CG 3.35Å; T81-K85 PolarHBondContact O-N 2.83Å; K85-L88 PolarHBondContact O-N 3.15Å; K85-R89 WeakPolarHBondContact O-CB 3.23Å; K85-R89 PolarHBondContact O-N 3.38Å |
| 86 | T | 87.5 | Confident | 87.3 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 176.2 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | S82 T83 R89 E90 | S82-T86 PolarHBondContact O-N 3.41Å; S82-T86 VanDerWaalsContact O-N 3.16Å; S82-T86 PolarHBondContact O-OG1 3.3Å; T83-T86 WeakPolarHBondContact CA-OG1 3.39Å; T83-T86 PolarHBondContact O-OG1 3.27Å; T86-R89 PolarHBondContact O-N 2.9Å; T86-E90 WeakPolarHBondContact O-CB 3.48Å; T86-E90 WeakPolarHBondContact O-CG 3.5Å; T86-E90 PolarHBondContact O-N 3.34Å |
| 87 | L | 89.3 | Confident | 87.5 | Confident | 81 Ų | 81 | 52.5 Ų | 52.5 | 42% | 0.424 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 177 | 177.9 | 67.9 | 0 | 0 | 0 | 111.1 | W43 T83 D84 R89 T91 | W43-L87 HydrophobicContact CH2-CD2 4.33Å; T83-L87 WeakPolarHBondContact O-CB 3.42Å; T83-L87 PolarHBondContact O-N 2.96Å; D84-L87 PolarHBondContact O-N 3.39Å; L87-R89 VanDerWaalsContact C-N 3.33Å; L87-R89 PolarHBondContact O-N 3.08Å; L87-T91 HydrophobicContact CD1-CG2 3.89Å; L87-T91 HydrophobicContact CG-CG2 4.38Å; L87-T91 WeakPolarHBondContact O-CB 3.49Å; L87-T91 WeakPolarHBondContact O-CG2 3.45Å; L87-T91 PolarHBondContact O-N 2.99Å; L87-T91 PolarHBondContact O-OG1 3.44Å |
| 88 | L | 89.9 | Confident | 87.4 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 178.4 | -172.3 | 90.1 | 0 | 0 | 0 | 111.2 | W43 L47 L69 I73 W77 D84 K85 T91 L92 L120 | W43-L88 HydrophobicContact CE3-CD1 3.75Å; W43-L88 HydrophobicContact CZ3-CB 4.35Å; W43-L88 HydrophobicContact CZ3-CD1 3.97Å; L47-L88 HydrophobicContact CD1-CD1 4.08Å; L47-L88 HydrophobicContact CD2-CD1 4.18Å; L69-L88 HydrophobicContact CD2-CD1 4.05Å; I73-L88 HydrophobicContact CD1-CD2 4.24Å; I73-L88 HydrophobicContact CG1-CD2 3.95Å; W77-L88 HydrophobicContact CZ3-CD2 4.07Å; D84-L88 WeakPolarHBondContact O-CB 3.29Å; D84-L88 PolarHBondContact O-N 3.14Å; K85-L88 PolarHBondContact O-N 3.15Å; L88-T91 PolarHBondContact O-OG1 3.33Å; L88-T91 VanDerWaalsContact O-OG1 3.09Å; L88-L92 HydrophobicContact CD1-CD1 4.48Å; L88-L92 HydrophobicContact CG-CD1 4.06Å; L88-L92 WeakPolarHBondContact O-CB 3.48Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.17Å; L88-L92 VanDerWaalsContact O-N 3.14Å; L88-L120 HydrophobicContact CD2-CD1 4.09Å; L88-L120 HydrophobicContact CD2-CD2 3.58Å; L88-L120 HydrophobicContact CD2-CG 4.4Å; L88-L120 HydrophobicContact CG-CD1 4.45Å |
| 89 | R | 90.1 | Very high | 87.3 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -53.5 | 179.4 | -169.4 | -164.9 | -45.6 | 151.8 | 7.2 | 112.4 | K85 T86 L87 T91 W93 E124 | K85-R89 WeakPolarHBondContact O-CB 3.23Å; K85-R89 PolarHBondContact O-N 3.38Å; T86-R89 PolarHBondContact O-N 2.9Å; L87-R89 VanDerWaalsContact C-N 3.33Å; L87-R89 PolarHBondContact O-N 3.08Å; R89-T91 PolarHBondContact O-N 3.36Å; R89-W93 VanDerWaalsContact O-CB 3.26Å; R89-W93 WeakPolarHBondContact O-CB 3.27Å; R89-W93 PolarHBondContact O-N 3.37Å; R89-E124 IonicContact CZ-OE1 2.63Å; R89-E124 IonicContact CZ-OE2 2.78Å; R89-E124 VanDerWaalsContact CZ-OE2 3.28Å; R89-E124 IonicContact NE-OE1 3.72Å; R89-E124 IonicContact NE-OE2 3.48Å; R89-E124 PolarHBondContact NE-OE2 2.81Å; R89-E124 IonicContact NH2-OE1 3.84Å; R89-E124 PolarHBondContact NH2-OE1 3.44Å; R89-E124 IonicContact NH2-OE2 3.52Å; R89-E124 PolarHBondContact NH2-OE2 3.08Å |
| 90 | E | 90.3 | Very high | 86.6 | Confident | 121 Ų | 121 | 56.5 Ų | 56.5 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | -176.5 | -71.8 | -177.7 | 176.8 | 0 | 0 | 111.9 | T86 N94 | T86-E90 WeakPolarHBondContact O-CB 3.48Å; T86-E90 WeakPolarHBondContact O-CG 3.5Å; T86-E90 PolarHBondContact O-N 3.34Å; E90-N94 WeakPolarHBondContact O-CB 3.47Å; E90-N94 PolarHBondContact O-N 2.85Å; E90-N94 PolarHBondContact O-ND2 3.25Å |
| 91 | T | 90.1 | Very high | 85.2 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67 | -44.9 | 179.3 | 52 | 0 | 0 | 0 | 0 | 112.1 | L47 L87 L88 R89 S95 | L47-T91 WeakPolarHBondContact CD2-OG1 3.29Å; L87-T91 HydrophobicContact CD1-CG2 3.89Å; L87-T91 HydrophobicContact CG-CG2 4.38Å; L87-T91 WeakPolarHBondContact O-CB 3.49Å; L87-T91 WeakPolarHBondContact O-CG2 3.45Å; L87-T91 PolarHBondContact O-N 2.99Å; L87-T91 PolarHBondContact O-OG1 3.44Å; L88-T91 PolarHBondContact O-OG1 3.33Å; L88-T91 VanDerWaalsContact O-OG1 3.09Å; R89-T91 PolarHBondContact O-N 3.36Å; T91-S95 WeakPolarHBondContact O-CB 3.49Å; T91-S95 PolarHBondContact O-N 2.84Å |
| 92 | L | 90.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.2 | -44 | 176 | -71.6 | 173 | 0 | 0 | 0 | 111.3 | L47 T51 L88 S95 Y96 L113 L116 I117 L120 | L47-L92 HydrophobicContact CD1-CD2 3.9Å; L47-L92 HydrophobicContact CD1-CG 3.95Å; T51-L92 HydrophobicContact CG2-CD2 4.1Å; L88-L92 HydrophobicContact CD1-CD1 4.48Å; L88-L92 HydrophobicContact CG-CD1 4.06Å; L88-L92 WeakPolarHBondContact O-CB 3.48Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.17Å; L88-L92 VanDerWaalsContact O-N 3.14Å; L92-S95 PolarHBondContact O-N 3.49Å; L92-Y96 VanDerWaalsContact O-CB 3.27Å; L92-Y96 WeakPolarHBondContact O-CB 3.36Å; L92-Y96 PolarHBondContact O-N 3.49Å; L92-L113 HydrophobicContact CD2-CD2 3.85Å; L92-L116 HydrophobicContact CD1-CB 4.17Å; L92-L116 HydrophobicContact CD2-CD1 4.31Å; L92-I117 HydrophobicContact CB-CG1 4.08Å; L92-L120 HydrophobicContact CD1-CD1 3.72Å |
| 93 | W | 90.1 | Very high | 82.2 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 24% | 0.239 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -49 | 178 | -176.2 | -94.7 | 0 | 0 | 0 | 112.1 | R89 S95 Y96 A97 I117 H135 L139 L150 | R89-W93 VanDerWaalsContact O-CB 3.26Å; R89-W93 WeakPolarHBondContact O-CB 3.27Å; R89-W93 PolarHBondContact O-N 3.37Å; W93-S95 PolarHBondContact O-N 2.97Å; W93-Y96 PolarHBondContact O-N 2.93Å; W93-A97 VanDerWaalsContact O-CB 3.26Å; W93-A97 WeakPolarHBondContact O-CB 3.38Å; W93-A97 PolarHBondContact O-N 2.85Å; W93-I117 HydrophobicContact CE3-CG2 4.14Å; W93-I117 HydrophobicContact CZ3-CG2 4.3Å; W93-H135 HydrophobicContact CH2-CB 3.53Å; W93-H135 HydrophobicContact CZ2-CB 3.74Å; W93-H135 HydrophobicContact CZ3-CB 4.33Å; W93-L139 HydrophobicContact CH2-CD2 4.29Å; W93-L150 HydrophobicContact CH2-CD2 4.16Å; W93-L150 HydrophobicContact CZ3-CD2 3.7Å |
| 94 | N | 89.3 | Confident | 80.4 | Confident | 81 Ų | 81 | 62.9 Ų | 62.9 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 179.8 | -72.7 | -30.7 | 0 | 0 | 0 | 111.8 | E90 Q98 | E90-N94 WeakPolarHBondContact O-CB 3.47Å; E90-N94 PolarHBondContact O-N 2.85Å; E90-N94 PolarHBondContact O-ND2 3.25Å; N94-Q98 WeakPolarHBondContact O-CB 3.34Å; N94-Q98 WeakPolarHBondContact O-CG 3.31Å; N94-Q98 PolarHBondContact O-N 3.47Å; N94-Q98 VanDerWaalsContact O-N 3.13Å |
| 95 | S | 87.3 | Confident | 78.8 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 175 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | T91 L92 W93 Q98 L99 | T91-S95 WeakPolarHBondContact O-CB 3.49Å; T91-S95 PolarHBondContact O-N 2.84Å; L92-S95 PolarHBondContact O-N 3.49Å; W93-S95 PolarHBondContact O-N 2.97Å; S95-Q98 PolarHBondContact O-N 2.9Å; S95-L99 PolarHBondContact O-N 3.37Å |
| 96 | Y | 88.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 179.1 | -172.5 | -106.6 | 0 | 0 | 0 | 112.8 | L92 W93 Q98 L99 R110 L113 A114 I117 L139 L146 L150 | L92-Y96 VanDerWaalsContact O-CB 3.27Å; L92-Y96 WeakPolarHBondContact O-CB 3.36Å; L92-Y96 PolarHBondContact O-N 3.49Å; W93-Y96 PolarHBondContact O-N 2.93Å; Y96-Q98 PolarHBondContact O-N 3Å; Y96-L99 HydrophobicContact CD2-CD1 3.65Å; Y96-L99 HydrophobicContact CE2-CD1 4.15Å; Y96-L99 HydrophobicContact CG-CD1 4.39Å; Y96-L99 WeakPolarHBondContact O-CB 3.49Å; Y96-L99 PolarHBondContact O-N 2.82Å; Y96-R110 HydrophobicContact CE2-CB 4.48Å; Y96-R110 HydrophobicContact CE2-CG 3.74Å; Y96-R110 WeakPolarHBondContact CE2-O 3.25Å; Y96-L113 HydrophobicContact CD2-CB 3.91Å; Y96-A114 HydrophobicContact CE2-CB 3.85Å; Y96-I117 VanDerWaalsContact CB-CD1 3.48Å; Y96-I117 HydrophobicContact CD1-CD1 4.02Å; Y96-I117 HydrophobicContact CD2-CD1 4.31Å; Y96-I117 HydrophobicContact CG-CD1 3.68Å; Y96-L139 HydrophobicContact CD1-CD2 4.02Å; Y96-L139 HydrophobicContact CE1-CD2 3.72Å; Y96-L146 HydrophobicContact CE1-CB 3.9Å; Y96-L146 HydrophobicContact CE1-CD2 4.48Å; Y96-L146 HydrophobicContact CE2-CD2 4.24Å; Y96-L146 WeakPolarHBondContact O-CD1 3.32Å; Y96-L146 PolarHBondContact OH-O 3.35Å; Y96-L150 HydrophobicContact CE1-CB 4.19Å; Y96-L150 HydrophobicContact CE1-CD2 4.38Å |
| 97 | A | 85.9 | Confident | 77.1 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 19% | 0.19 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.1 | -22.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | W93 R143 | W93-A97 VanDerWaalsContact O-CB 3.26Å; W93-A97 WeakPolarHBondContact O-CB 3.38Å; W93-A97 PolarHBondContact O-N 2.85Å; A97-R143 PolarHBondContact O-NE 3.05Å; A97-R143 PolarHBondContact O-NH1 2.83Å |
| 98 | Q | 83 | Confident | 76.6 | Confident | 139 Ų | 139 | 69.4 Ų | 69.4 | 65% | 0.65 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -95.5 | -5.1 | 179 | -68.2 | 177.4 | 9.9 | 0 | 0 | 114.1 | N94 S95 Y96 V100 | N94-Q98 WeakPolarHBondContact O-CB 3.34Å; N94-Q98 WeakPolarHBondContact O-CG 3.31Å; N94-Q98 PolarHBondContact O-N 3.47Å; N94-Q98 VanDerWaalsContact O-N 3.13Å; S95-Q98 PolarHBondContact O-N 2.9Å; Y96-Q98 PolarHBondContact O-N 3Å; Q98-V100 PolarHBondContact O-N 3.21Å |
| 99 | L | 80.2 | Confident | 76.3 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | trans | -55 | 129.8 | 178.7 | -79.6 | 163 | 0 | 0 | 0 | 111.7 | S95 Y96 L113 R143 L146 | S95-L99 PolarHBondContact O-N 3.37Å; Y96-L99 HydrophobicContact CD2-CD1 3.65Å; Y96-L99 HydrophobicContact CE2-CD1 4.15Å; Y96-L99 HydrophobicContact CG-CD1 4.39Å; Y96-L99 WeakPolarHBondContact O-CB 3.49Å; Y96-L99 PolarHBondContact O-N 2.82Å; L99-L113 HydrophobicContact CD1-CD1 4.03Å; L99-R143 PolarHBondContact O-NH1 3.29Å; L99-L146 HydrophobicContact CB-CD2 4.37Å | ||
| 100 | V | 68.1 | Low | 76 | Confident | 117 Ų | 117 | 68.5 Ų | 68.5 | 71% | 0.709 | 37% | 0.367 | S | S | * | . | trans | -95.4 | 118.9 | 171 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | Q98 T102 | Q98-V100 PolarHBondContact O-N 3.21Å; V100-T102 PolarHBondContact O-N 2.87Å | ||
| 101 | A | 55.5 | Low | 76 | Confident | 55 Ų | 55 | 65 Ų | 65 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | trans | -65.1 | 99.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 102 | T | 54.5 | Low | 75.9 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 53% | 0.534 | 35% | 0.348 | S | S | . | . | trans | -109.8 | 144.5 | 168.3 | 34.3 | 0 | 0 | 0 | 0 | 110.5 | V100 N104 A106 | V100-T102 PolarHBondContact O-N 2.87Å; T102-N104 PolarHBondContact O-N 3.13Å; T102-A106 WeakPolarHBondContact O-CB 3.41Å | ||
| 103 | P | 52.7 | Low | 75.9 | Confident | 118 Ų | 118 | 64.6 Ų | 64.6 | 77% | 0.766 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -30.3 | -144.4 | 13.7 | -27.1 | 0 | 0 | 0 | 119.1 | ||
| 104 | N | 48.2 | Very low | 76 | Confident | 145 Ų | 145 | 61.6 Ų | 61.6 | 78% | 0.775 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | -42.6 | -172 | -79.1 | -12.3 | 0 | 0 | 0 | 115.6 | T102 | T102-N104 PolarHBondContact O-N 3.13Š|
| 105 | V | 53.6 | Low | 76.2 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -76.1 | -35.8 | 178.8 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | K107 H109 | V105-K107 VanDerWaalsContact C-N 3.34Å; V105-K107 PolarHBondContact O-N 3.25Å; V105-H109 VanDerWaalsContact CG1-CD2 3.43Å; V105-H109 WeakPolarHBondContact CG1-CD2 3.25Å; V105-H109 VanDerWaalsContact CG1-NE2 3.28Å; V105-H109 WeakPolarHBondContact CG1-NE2 3.32Å; V105-H109 PolarHBondContact O-CD2 3.49Å; V105-H109 PolarHBondContact O-N 3.19Å |
| 106 | A | 65.5 | Low | 76.5 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 12% | 0.124 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68 | -25.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T102 R110 | T102-A106 WeakPolarHBondContact O-CB 3.41Å; A106-R110 WeakPolarHBondContact O-CB 3.37Å; A106-R110 PolarHBondContact O-N 3Å |
| 107 | K | 76.8 | Confident | 76.7 | Confident | 105 Ų | 105 | 59.4 Ų | 59.4 | 46% | 0.457 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.6 | -48.5 | -179.6 | -172.9 | 172.7 | -177.5 | 167.2 | 0 | 111.9 | V105 H109 R110 D111 D233 | V105-K107 VanDerWaalsContact C-N 3.34Å; V105-K107 PolarHBondContact O-N 3.25Å; K107-H109 PolarHBondContact O-N 3.11Å; K107-R110 WeakPolarHBondContact O-CB 3.45Å; K107-R110 PolarHBondContact O-N 3.29Å; K107-D111 PolarHBondContact O-N 2.92Å; K107-D233 IonicContact NZ-OD1 3.56Å |
| 108 | R | 79.7 | Confident | 77.1 | Confident | 150 Ų | 150 | 58.3 Ų | 58.3 | 57% | 0.566 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 177.8 | -167.5 | 171.4 | -174.6 | -172.2 | -2.5 | 111.6 | D111 T112 | R108-D111 PolarHBondContact O-N 3.15Å; R108-T112 PolarHBondContact O-N 3.48Å; R108-T112 PolarHBondContact O-OG1 2.81Å; R108-T112 VanDerWaalsContact O-OG1 3.04Å |
| 109 | H | 81.6 | Confident | 77.5 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 9% | 0.088 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 174.2 | -69.2 | -66.3 | 0 | 0 | 0 | 112.4 | W62 V105 K107 L113 | W62-H109 AromaticContact CD2-CE1 3.57Å; W62-H109 AromaticContact CD2-ND1 3.54Å; W62-H109 AromaticContact CE2-CE1 3.54Å; W62-H109 AromaticContact CE2-ND1 3.03Å; W62-H109 AromaticContact CE3-CE1 3.92Å; W62-H109 AromaticContact CE3-ND1 3.93Å; W62-H109 HydrophobicContact CH2-CB 4.45Å; W62-H109 AromaticContact CH2-ND1 3.39Å; W62-H109 WeakPolarHBondContact CH2-ND1 3.49Å; W62-H109 HydrophobicContact CZ2-CB 4.17Å; W62-H109 AromaticContact CZ2-CE1 3.87Å; W62-H109 AromaticContact CZ2-CG 3.9Å; W62-H109 AromaticContact CZ2-ND1 2.97Å; W62-H109 WeakPolarHBondContact CZ2-ND1 3.25Å; W62-H109 AromaticContact CZ3-ND1 3.85Å; W62-H109 AromaticContact NE1-CE1 3.88Å; W62-H109 AromaticContact NE1-ND1 3.49Å; W62-H109 PolarHBondContact NE1-ND1 3.23Å; V105-H109 VanDerWaalsContact CG1-CD2 3.43Å; V105-H109 WeakPolarHBondContact CG1-CD2 3.25Å; V105-H109 VanDerWaalsContact CG1-NE2 3.28Å; V105-H109 WeakPolarHBondContact CG1-NE2 3.32Å; V105-H109 PolarHBondContact O-CD2 3.49Å; V105-H109 PolarHBondContact O-N 3.19Å; K107-H109 PolarHBondContact O-N 3.11Å; H109-L113 WeakPolarHBondContact O-CB 3.16Å; H109-L113 WeakPolarHBondContact O-CG 3.3Å; H109-L113 PolarHBondContact O-N 2.82Å |
| 110 | R | 85.8 | Confident | 78 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.6 | -50.5 | 175.9 | 179.2 | -166.6 | 72.1 | 172.7 | 7.8 | 110.9 | Y96 A106 K107 L113 A114 L146 N149 D233 | Y96-R110 HydrophobicContact CE2-CB 4.48Å; Y96-R110 HydrophobicContact CE2-CG 3.74Å; Y96-R110 WeakPolarHBondContact CE2-O 3.25Å; A106-R110 WeakPolarHBondContact O-CB 3.37Å; A106-R110 PolarHBondContact O-N 3Å; K107-R110 WeakPolarHBondContact O-CB 3.45Å; K107-R110 PolarHBondContact O-N 3.29Å; R110-L113 PolarHBondContact O-N 3.36Å; R110-A114 VanDerWaalsContact O-CB 3.27Å; R110-A114 WeakPolarHBondContact O-CB 3.34Å; R110-A114 PolarHBondContact O-N 2.93Å; R110-L146 HydrophobicContact CG-CD2 3.81Å; R110-N149 PolarHBondContact NH2-OD1 3.37Å; R110-D233 IonicContact CZ-OD2 2.65Å; R110-D233 IonicContact NH1-OD2 3.26Å; R110-D233 PolarHBondContact NH1-OD2 3.45Å; R110-D233 IonicContact NH2-OD1 2.87Å; R110-D233 IonicContact NH2-OD2 3.15Å; R110-D233 PolarHBondContact NH2-OD2 3.11Å; R110-D233 VanDerWaalsContact NH2-OD2 3.15Å |
| 111 | D | 88.8 | Confident | 79 | Confident | 48 Ų | 48 | 44.4 Ų | 44.4 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.8 | -41.1 | -174.1 | -60.7 | -1.8 | 0 | 0 | 0 | 111.2 | K107 R108 A114 Q115 N149 I153 | K107-D111 PolarHBondContact O-N 2.92Å; R108-D111 PolarHBondContact O-N 3.15Å; D111-A114 PolarHBondContact O-N 3.34Å; D111-Q115 PolarHBondContact O-N 3.29Å; D111-N149 VanDerWaalsContact OD1-CG 3.28Å; D111-N149 PolarHBondContact OD1-ND2 3.39Å; D111-N149 VanDerWaalsContact OD1-ND2 3.08Å; D111-N149 PolarHBondContact OD1-OD1 3Å; D111-I153 HydrophobicContact CB-CD1 4.24Å; D111-I153 WeakPolarHBondContact O-CD1 3.28Å |
| 112 | T | 89.4 | Confident | 80.7 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 16% | 0.16 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 175.9 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | W62 T66 R108 Q115 L116 | W62-T112 HydrophobicContact CH2-CG2 3.86Å; W62-T112 HydrophobicContact CZ2-CG2 4.38Å; T66-T112 HydrophobicContact CG2-CG2 3.78Å; R108-T112 PolarHBondContact O-N 3.48Å; R108-T112 PolarHBondContact O-OG1 2.81Å; R108-T112 VanDerWaalsContact O-OG1 3.04Å; T112-Q115 WeakPolarHBondContact O-CB 3.5Å; T112-Q115 PolarHBondContact O-N 2.96Å; T112-L116 WeakPolarHBondContact O-CG 3.49Å; T112-L116 PolarHBondContact O-N 3.22Å |
| 113 | L | 89.8 | Confident | 82.2 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.4 | -73.4 | 172.5 | 0 | 0 | 0 | 111.5 | L92 Y96 L99 H109 R110 Q115 L116 I117 | L92-L113 HydrophobicContact CD2-CD2 3.85Å; Y96-L113 HydrophobicContact CD2-CB 3.91Å; L99-L113 HydrophobicContact CD1-CD1 4.03Å; H109-L113 WeakPolarHBondContact O-CB 3.16Å; H109-L113 WeakPolarHBondContact O-CG 3.3Å; H109-L113 PolarHBondContact O-N 2.82Å; R110-L113 PolarHBondContact O-N 3.36Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 PolarHBondContact O-N 3.17Å; L113-L116 PolarHBondContact O-N 3.32Å; L113-I117 WeakPolarHBondContact O-CG1 3.37Å; L113-I117 PolarHBondContact O-N 3.46Å |
| 114 | A | 91.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -35.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y96 R110 D111 I117 A118 L150 I153 | Y96-A114 HydrophobicContact CE2-CB 3.85Å; R110-A114 VanDerWaalsContact O-CB 3.27Å; R110-A114 WeakPolarHBondContact O-CB 3.34Å; R110-A114 PolarHBondContact O-N 2.93Å; D111-A114 PolarHBondContact O-N 3.34Å; A114-I117 PolarHBondContact O-N 3.27Å; A114-A118 WeakPolarHBondContact O-CB 3.39Å; A114-A118 PolarHBondContact O-N 3.06Å; A114-L150 HydrophobicContact CB-CD1 4Å; A114-I153 HydrophobicContact CB-CD1 3.48Å; A114-I153 VanDerWaalsContact CB-CD1 3.48Å |
| 115 | Q | 93.6 | Very high | 85.9 | Confident | 51 Ų | 51 | 27.3 Ų | 27.3 | 24% | 0.238 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 172.1 | -176.6 | 176.5 | 32.2 | 0 | 0 | 112.6 | D111 T112 L113 I117 A118 L119 I153 | D111-Q115 PolarHBondContact O-N 3.29Å; T112-Q115 WeakPolarHBondContact O-CB 3.5Å; T112-Q115 PolarHBondContact O-N 2.96Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 PolarHBondContact O-N 3.17Å; Q115-I117 VanDerWaalsContact C-N 3.31Å; Q115-I117 PolarHBondContact O-N 3.3Å; Q115-A118 PolarHBondContact O-N 3.45Å; Q115-L119 HydrophobicContact CG-CD1 4.31Å; Q115-L119 VanDerWaalsContact O-CG 3.3Å; Q115-L119 WeakPolarHBondContact O-CG 3.46Å; Q115-L119 PolarHBondContact O-N 3.14Å; Q115-I153 HydrophobicContact CB-CG2 3.99Å; Q115-I153 HydrophobicContact CG-CG2 4.46Å |
| 116 | L | 93.4 | Very high | 87.3 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | 175.4 | -64.2 | 175.9 | 0 | 0 | 0 | 111.2 | T66 L69 E70 I73 L92 T112 L113 L119 L120 | T66-L116 HydrophobicContact CG2-CD1 4.46Å; L69-L116 HydrophobicContact CB-CD1 4.04Å; L69-L116 HydrophobicContact CB-CD2 4.07Å; L69-L116 HydrophobicContact CD1-CD1 3.94Å; E70-L116 HydrophobicContact CB-CD2 3.91Å; I73-L116 HydrophobicContact CD1-CB 4.28Å; I73-L116 HydrophobicContact CD1-CD2 4Å; L92-L116 HydrophobicContact CD1-CB 4.17Å; L92-L116 HydrophobicContact CD2-CD1 4.31Å; T112-L116 WeakPolarHBondContact O-CG 3.49Å; T112-L116 PolarHBondContact O-N 3.22Å; L113-L116 PolarHBondContact O-N 3.32Å; L116-L119 PolarHBondContact O-N 3.09Å; L116-L120 WeakPolarHBondContact O-CG 3.38Å; L116-L120 PolarHBondContact O-N 2.66Å |
| 117 | I | 93.4 | Very high | 88.1 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.5 | -65.9 | 167.6 | 0 | 0 | 0 | 111.4 | L92 W93 Y96 L113 A114 Q115 L120 G121 Y132 L150 | L92-I117 HydrophobicContact CB-CG1 4.08Å; W93-I117 HydrophobicContact CE3-CG2 4.14Å; W93-I117 HydrophobicContact CZ3-CG2 4.3Å; Y96-I117 VanDerWaalsContact CB-CD1 3.48Å; Y96-I117 HydrophobicContact CD1-CD1 4.02Å; Y96-I117 HydrophobicContact CD2-CD1 4.31Å; Y96-I117 HydrophobicContact CG-CD1 3.68Å; L113-I117 WeakPolarHBondContact O-CG1 3.37Å; L113-I117 PolarHBondContact O-N 3.46Å; A114-I117 PolarHBondContact O-N 3.27Å; Q115-I117 VanDerWaalsContact C-N 3.31Å; Q115-I117 PolarHBondContact O-N 3.3Å; I117-L120 WeakPolarHBondContact O-CB 3.35Å; I117-L120 PolarHBondContact O-N 3.02Å; I117-G121 PolarHBondContact O-N 2.86Å; I117-Y132 HydrophobicContact CG2-CE2 3.98Å; I117-L150 HydrophobicContact CB-CD1 4.1Å; I117-L150 HydrophobicContact CG2-CD1 3.84Å; I117-L150 HydrophobicContact CG2-CD2 4.29Å |
| 118 | A | 93.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A114 Q115 L120 G121 K122 Y132 I153 E157 | A114-A118 WeakPolarHBondContact O-CB 3.39Å; A114-A118 PolarHBondContact O-N 3.06Å; Q115-A118 PolarHBondContact O-N 3.45Å; A118-L120 VanDerWaalsContact C-N 3.3Å; A118-L120 PolarHBondContact O-N 2.85Å; A118-G121 PolarHBondContact O-N 2.92Å; A118-K122 WeakPolarHBondContact O-CB 3.26Å; A118-K122 PolarHBondContact O-N 3.48Å; A118-Y132 WeakPolarHBondContact CA-OH 3.47Å; A118-I153 HydrophobicContact CB-CG2 3.87Å; A118-E157 HydrophobicContact CB-CG 4.07Å |
| 119 | L | 91.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.5 | -36.1 | 173.1 | -70.4 | 169.9 | 0 | 0 | 0 | 111.9 | E70 I73 T74 Q115 L116 R123 E157 | E70-L119 HydrophobicContact CG-CD1 3.92Å; I73-L119 HydrophobicContact CG2-CB 3.76Å; T74-L119 HydrophobicContact CG2-CD1 4.21Å; T74-L119 HydrophobicContact CG2-CD2 4.21Å; Q115-L119 HydrophobicContact CG-CD1 4.31Å; Q115-L119 VanDerWaalsContact O-CG 3.3Å; Q115-L119 WeakPolarHBondContact O-CG 3.46Å; Q115-L119 PolarHBondContact O-N 3.14Å; L116-L119 PolarHBondContact O-N 3.09Å; L119-R123 WeakPolarHBondContact O-CG 3.45Å; L119-R123 PolarHBondContact O-N 2.97Å; L119-E157 HydrophobicContact CD2-CG 4.34Å |
| 120 | L | 91.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.1 | -46.6 | 171.5 | -67.8 | 175 | 0 | 0 | 0 | 111.8 | I73 W77 L88 L92 L116 I117 A118 K122 R123 E124 | I73-L120 HydrophobicContact CD1-CD2 4Å; I73-L120 HydrophobicContact CD1-CG 4.05Å; I73-L120 HydrophobicContact CG1-CD2 3.94Å; I73-L120 HydrophobicContact CG2-CD2 4.01Å; W77-L120 HydrophobicContact CE3-CD2 4.34Å; W77-L120 HydrophobicContact CH2-CD2 3.37Å; W77-L120 HydrophobicContact CZ3-CD2 3.25Å; L88-L120 HydrophobicContact CD2-CD1 4.09Å; L88-L120 HydrophobicContact CD2-CD2 3.58Å; L88-L120 HydrophobicContact CD2-CG 4.4Å; L88-L120 HydrophobicContact CG-CD1 4.45Å; L92-L120 HydrophobicContact CD1-CD1 3.72Å; L116-L120 WeakPolarHBondContact O-CG 3.38Å; L116-L120 PolarHBondContact O-N 2.66Å; I117-L120 WeakPolarHBondContact O-CB 3.35Å; I117-L120 PolarHBondContact O-N 3.02Å; A118-L120 VanDerWaalsContact C-N 3.3Å; A118-L120 PolarHBondContact O-N 2.85Å; L120-K122 VanDerWaalsContact C-N 3.27Å; L120-K122 PolarHBondContact O-N 3.27Å; L120-R123 WeakPolarHBondContact O-CB 3.36Å; L120-R123 PolarHBondContact O-N 3.05Å; L120-E124 WeakPolarHBondContact O-CB 3.21Å; L120-E124 PolarHBondContact O-N 3.27Å |
| 121 | G | 89.7 | Confident | 89 | Confident | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.7 | -45.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I117 A118 R123 E124 F125 | I117-G121 PolarHBondContact O-N 2.86Å; A118-G121 PolarHBondContact O-N 2.92Å; G121-R123 PolarHBondContact O-N 2.87Å; G121-E124 PolarHBondContact O-N 2.81Å; G121-F125 WeakPolarHBondContact O-CB 3.36Å; G121-F125 PolarHBondContact O-N 3.42Å |
| 122 | K | 89.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.5 | -29.1 | 175.8 | -167.9 | -173.4 | -176.3 | -173.9 | 0 | 113.8 | A118 L120 E157 D164 L165 W169 F173 | A118-K122 WeakPolarHBondContact O-CB 3.26Å; A118-K122 PolarHBondContact O-N 3.48Å; L120-K122 VanDerWaalsContact C-N 3.27Å; L120-K122 PolarHBondContact O-N 3.27Å; K122-E157 HydrophobicContact CD-CB 4.46Å; K122-E157 IonicContact NZ-OE2 3.28Å; K122-D164 IonicContact NZ-OD1 3.21Å; K122-D164 PolarHBondContact NZ-OD1 2.86Å; K122-D164 VanDerWaalsContact NZ-OD1 3.15Å; K122-D164 IonicContact NZ-OD2 3.83Å; K122-D164 PolarHBondContact NZ-OD2 3.23Å; K122-L165 HydrophobicContact CD-CD1 3.87Å; K122-L165 HydrophobicContact CG-CD1 3.75Å; K122-W169 PolarHBondContact O-NE1 3.38Å; K122-F173 HydrophobicContact CB-CE1 4.1Å; K122-F173 HydrophobicContact CB-CE2 4.37Å; K122-F173 HydrophobicContact CB-CZ 3.94Å; K122-F173 HydrophobicContact CG-CD1 3.97Å; K122-F173 HydrophobicContact CG-CE1 3.81Å; K122-F173 HydrophobicContact CG-CG 4.43Å; K122-F173 HydrophobicContact CG-CZ 4.16Å |
| 123 | R | 87.5 | Confident | 89.4 | Confident | 32 Ų | 32 | 26.1 Ų | 26.1 | 12% | 0.121 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -87.7 | -34.1 | 179.3 | -73.2 | -77 | -169.2 | -172 | -6.4 | 113.2 | I73 T74 W77 L119 L120 G121 D164 W169 | I73-R123 HydrophobicContact CG2-CG 4.44Å; I73-R123 PolarHBondContact O-NE 3.34Å; I73-R123 PolarHBondContact O-NH2 2.98Å; T74-R123 PolarHBondContact O-NH2 2.67Å; W77-R123 HydrophobicContact CD2-CB 4.44Å; W77-R123 HydrophobicContact CD2-CG 4.24Å; W77-R123 HydrophobicContact CG-CG 4.39Å; W77-R123 HydrophobicContact CZ2-CB 4.06Å; L119-R123 WeakPolarHBondContact O-CG 3.45Å; L119-R123 PolarHBondContact O-N 2.97Å; L120-R123 WeakPolarHBondContact O-CB 3.36Å; L120-R123 PolarHBondContact O-N 3.05Å; G121-R123 PolarHBondContact O-N 2.87Å; R123-D164 PolarHBondContact NH1-O 2.92Å; R123-D164 PolarHBondContact NH2-O 3.45Å; R123-W169 WeakPolarHBondContact O-CZ2 3.48Å |
| 124 | E | 88.6 | Confident | 89.5 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -110.1 | -26.7 | -166.1 | -65.8 | -173.4 | 139.7 | 0 | 0 | 113.6 | W77 R89 L120 G121 E127 Q128 D129 | W77-E124 HydrophobicContact CH2-CG 4.18Å; W77-E124 HydrophobicContact CZ2-CG 3.62Å; W77-E124 WeakPolarHBondContact CZ2-OE1 3.33Å; R89-E124 IonicContact CZ-OE1 2.63Å; R89-E124 IonicContact CZ-OE2 2.78Å; R89-E124 VanDerWaalsContact CZ-OE2 3.28Å; R89-E124 IonicContact NE-OE1 3.72Å; R89-E124 IonicContact NE-OE2 3.48Å; R89-E124 PolarHBondContact NE-OE2 2.81Å; R89-E124 IonicContact NH2-OE1 3.84Å; R89-E124 PolarHBondContact NH2-OE1 3.44Å; R89-E124 IonicContact NH2-OE2 3.52Å; R89-E124 PolarHBondContact NH2-OE2 3.08Å; L120-E124 WeakPolarHBondContact O-CB 3.21Å; L120-E124 PolarHBondContact O-N 3.27Å; G121-E124 PolarHBondContact O-N 2.81Å; E124-E127 PolarHBondContact O-N 3.48Å; E124-Q128 HydrophobicContact CB-CB 3.98Å; E124-Q128 HydrophobicContact CG-CB 4.3Å; E124-Q128 WeakPolarHBondContact O-CA 3.46Å; E124-Q128 PolarHBondContact O-N 3.13Å; E124-D129 HydrophobicContact CB-CB 4.17Å; E124-D129 PolarHBondContact O-N 3.13Å |
| 125 | F | 88.7 | Confident | 89.4 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 136 | 177.2 | 177 | -97.4 | 0 | 0 | 0 | 110.9 | G121 D129 P130 Y132 M133 F173 C176 I177 | G121-F125 WeakPolarHBondContact O-CB 3.36Å; G121-F125 PolarHBondContact O-N 3.42Å; F125-D129 WeakPolarHBondContact CD2-O 3.26Å; F125-P130 WeakPolarHBondContact CE2-O 3.43Å; F125-Y132 HydrophobicContact CB-CD1 4.27Å; F125-Y132 HydrophobicContact CB-CG 4.43Å; F125-Y132 HydrophobicContact CG-CD1 4.4Å; F125-M133 HydrophobicContact CE2-CB 4.42Å; F125-M133 HydrophobicContact CZ-CB 4.48Å; F125-F173 HydrophobicContact CB-CE2 4.4Å; F125-F173 HydrophobicContact CD1-CD2 4.07Å; F125-F173 AromaticContact CD1-CE2 3.98Å; F125-F173 HydrophobicContact CD1-CE2 3.98Å; F125-C176 HydrophobicContact CD1-CB 4.32Å; F125-C176 HydrophobicContact CE1-CB 3.62Å; F125-C176 HydrophobicContact CZ-CB 4.35Å; F125-I177 HydrophobicContact CD1-CG1 4.21Å; F125-I177 HydrophobicContact CE1-CG1 3.87Å |
| 126 | P | 82.6 | Confident | 89.4 | Confident | 27 Ų | 27 | 32.8 Ų | 32.8 | 18% | 0.175 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -93.2 | -6.6 | -0.3 | 37.6 | -38.5 | 0 | 0 | 0 | 115 | P130 Y172 C176 | P126-P130 WeakPolarHBondContact O-CA 3.2Å; P126-P130 WeakPolarHBondContact O-CB 3.2Å; P126-Y172 HydrophobicContact CG-CE1 3.86Å; P126-Y172 WeakPolarHBondContact CG-OH 3.5Å; P126-C176 HydrophobicContact CG-CB 4.32Å |
| 127 | E | 83.6 | Confident | 89.3 | Confident | 124 Ų | 124 | 34 Ų | 34 | 58% | 0.579 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -46.5 | -167.3 | -63.4 | -173 | 168.2 | 0 | 0 | 114.1 | E124 W169 | E124-E127 PolarHBondContact O-N 3.48Å; E127-W169 HydrophobicContact CG-CH2 4.1Å |
| 128 | Q | 83.1 | Confident | 89.2 | Confident | 97 Ų | 97 | 38.4 Ų | 38.4 | 45% | 0.453 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -26.2 | -172.7 | -62.9 | 179 | 12.7 | 0 | 0 | 112.9 | E124 | E124-Q128 HydrophobicContact CB-CB 3.98Å; E124-Q128 HydrophobicContact CG-CB 4.3Å; E124-Q128 WeakPolarHBondContact O-CA 3.46Å; E124-Q128 PolarHBondContact O-N 3.13Å |
| 129 | D | 84.1 | Confident | 89.1 | Confident | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | trans | -132.3 | 78.7 | 170.9 | -174.7 | 13.5 | 0 | 0 | 0 | 111 | E124 F125 N131 Y132 | E124-D129 HydrophobicContact CB-CB 4.17Å; E124-D129 PolarHBondContact O-N 3.13Å; F125-D129 WeakPolarHBondContact CD2-O 3.26Å; D129-N131 PolarHBondContact O-N 3.17Å; D129-Y132 PolarHBondContact O-N 2.91Å; D129-Y132 PolarHBondContact OD1-N 3.4Å | ||
| 130 | P | 87.5 | Confident | 89 | Confident | 76 Ų | 76 | 38.9 Ų | 38.9 | 49% | 0.494 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.4 | -176.6 | 24.2 | -32.8 | 0 | 0 | 0 | 113.7 | F125 P126 | F125-P130 WeakPolarHBondContact CE2-O 3.43Å; P126-P130 WeakPolarHBondContact O-CA 3.2Å; P126-P130 WeakPolarHBondContact O-CB 3.2Å |
| 131 | N | 88.4 | Confident | 88.9 | Confident | 72 Ų | 72 | 42.8 Ų | 42.8 | 39% | 0.385 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 1.4 | -175.4 | -65 | -28.1 | 0 | 0 | 0 | 113.1 | D129 M133 Q134 H135 | D129-N131 PolarHBondContact O-N 3.17Å; N131-M133 VanDerWaalsContact C-N 3.35Å; N131-M133 PolarHBondContact O-N 3.34Å; N131-Q134 WeakPolarHBondContact O-CA 3.22Å; N131-Q134 WeakPolarHBondContact O-CB 3.42Å; N131-Q134 PolarHBondContact O-N 3.47Å; N131-H135 PolarHBondContact O-N 2.77Å; N131-H135 PolarHBondContact O-ND1 3.4Å |
| 132 | Y | 92.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -46.9 | -51.7 | -177.2 | 176.6 | -107.6 | 0 | 0 | 0 | 113.9 | I117 A118 F125 D129 Q134 H135 C136 T154 | I117-Y132 HydrophobicContact CG2-CE2 3.98Å; A118-Y132 WeakPolarHBondContact CA-OH 3.47Å; F125-Y132 HydrophobicContact CB-CD1 4.27Å; F125-Y132 HydrophobicContact CB-CG 4.43Å; F125-Y132 HydrophobicContact CG-CD1 4.4Å; D129-Y132 PolarHBondContact O-N 2.91Å; D129-Y132 PolarHBondContact OD1-N 3.4Å; Y132-Q134 PolarHBondContact O-N 2.65Å; Y132-H135 WeakPolarHBondContact O-CB 3.28Å; Y132-H135 PolarHBondContact O-N 2.83Å; Y132-C136 PolarHBondContact O-N 3.47Å; Y132-C136 PolarHBondContact O-SG 3.49Å; Y132-T154 HydrophobicContact CE1-CG2 3.81Å; Y132-T154 PolarHBondContact OH-OG1 2.9Å |
| 133 | M | 92.9 | Very high | 88.7 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.3 | -34.3 | -179.4 | -170.1 | 60.4 | 69.3 | 0 | 0 | 112.4 | F125 N131 H135 C136 M137 L151 T154 I177 C180 V184 | F125-M133 HydrophobicContact CE2-CB 4.42Å; F125-M133 HydrophobicContact CZ-CB 4.48Å; N131-M133 VanDerWaalsContact C-N 3.35Å; N131-M133 PolarHBondContact O-N 3.34Å; M133-H135 VanDerWaalsContact C-N 3.34Å; M133-C136 WeakPolarHBondContact O-CB 3.26Å; M133-C136 PolarHBondContact O-N 3.14Å; M133-C136 HydrophobicContact SD-CB 4.42Å; M133-M137 HydrophobicContact CG-CE 4.49Å; M133-M137 WeakPolarHBondContact O-CG 3.32Å; M133-M137 PolarHBondContact O-N 3.45Å; M133-L151 HydrophobicContact SD-CD2 3.94Å; M133-T154 HydrophobicContact CE-CG2 4.16Å; M133-I177 HydrophobicContact CE-CB 4.33Å; M133-I177 HydrophobicContact CE-CD1 3.92Å; M133-I177 HydrophobicContact CE-CG1 3.8Å; M133-I177 HydrophobicContact CE-CG2 3.83Å; M133-C180 HydrophobicContact CB-CB 4.43Å; M133-C180 HydrophobicContact CG-CB 3.6Å; M133-V184 HydrophobicContact SD-CG2 4.2Å |
| 134 | Q | 91.5 | Very high | 88.7 | Confident | 119 Ų | 119 | 50.4 Ų | 50.4 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.3 | -41.2 | 173.8 | -65 | -177.8 | -5.4 | 0 | 0 | 111 | N131 Y132 C136 M137 E138 | N131-Q134 WeakPolarHBondContact O-CA 3.22Å; N131-Q134 WeakPolarHBondContact O-CB 3.42Å; N131-Q134 PolarHBondContact O-N 3.47Å; Y132-Q134 PolarHBondContact O-N 2.65Å; Q134-C136 VanDerWaalsContact C-N 3.34Å; Q134-C136 PolarHBondContact O-N 3.44Å; Q134-M137 HydrophobicContact CG-CE 4.33Å; Q134-M137 PolarHBondContact O-N 2.91Å; Q134-E138 WeakPolarHBondContact O-CB 3.21Å; Q134-E138 PolarHBondContact O-N 3.21Å |
| 135 | H | 91.1 | Very high | 88.6 | Confident | 77 Ų | 77 | 51.9 Ų | 51.9 | 36% | 0.356 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 174.4 | -61.4 | 151.3 | 0 | 0 | 0 | 112.1 | W93 N131 Y132 M133 E138 L139 | W93-H135 HydrophobicContact CH2-CB 3.53Å; W93-H135 HydrophobicContact CZ2-CB 3.74Å; W93-H135 HydrophobicContact CZ3-CB 4.33Å; N131-H135 PolarHBondContact O-N 2.77Å; N131-H135 PolarHBondContact O-ND1 3.4Å; Y132-H135 WeakPolarHBondContact O-CB 3.28Å; Y132-H135 PolarHBondContact O-N 2.83Å; M133-H135 VanDerWaalsContact C-N 3.34Å; H135-E138 PolarHBondContact O-N 3.31Å; H135-L139 VanDerWaalsContact O-CB 3.25Å; H135-L139 WeakPolarHBondContact O-CB 3.18Å; H135-L139 PolarHBondContact O-N 3.09Å |
| 136 | C | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 174.6 | -64.1 | 0 | 0 | 0 | 0 | 112 | Y132 M133 Q134 T140 L150 L151 | Y132-C136 PolarHBondContact O-N 3.47Å; Y132-C136 PolarHBondContact O-SG 3.49Å; M133-C136 WeakPolarHBondContact O-CB 3.26Å; M133-C136 PolarHBondContact O-N 3.14Å; M133-C136 HydrophobicContact SD-CB 4.42Å; Q134-C136 VanDerWaalsContact C-N 3.34Å; Q134-C136 PolarHBondContact O-N 3.44Å; C136-T140 PolarHBondContact O-N 3.13Å; C136-T140 VanDerWaalsContact O-N 3.08Å; C136-T140 PolarHBondContact O-OG1 3.29Å; C136-L150 VanDerWaalsContact SG-CD2 3.6Å; C136-L151 HydrophobicContact CB-CD2 3.73Å; C136-L151 HydrophobicContact CB-CG 4.23Å |
| 137 | M | 92.2 | Very high | 89 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | 176.6 | -69 | -173.1 | -67.1 | 0 | 0 | 112.1 | M133 Q134 T140 K141 D183 V184 L187 | M133-M137 HydrophobicContact CG-CE 4.49Å; M133-M137 WeakPolarHBondContact O-CG 3.32Å; M133-M137 PolarHBondContact O-N 3.45Å; Q134-M137 HydrophobicContact CG-CE 4.33Å; Q134-M137 PolarHBondContact O-N 2.91Å; M137-T140 VanDerWaalsContact O-CB 3.3Å; M137-T140 WeakPolarHBondContact O-CB 3.4Å; M137-T140 PolarHBondContact O-N 3.27Å; M137-T140 VanDerWaalsContact O-N 3.12Å; M137-K141 WeakPolarHBondContact O-CG 3.45Å; M137-K141 PolarHBondContact O-N 3.19Å; M137-D183 HydrophobicContact SD-CB 4Å; M137-V184 HydrophobicContact CG-CG2 4.19Å; M137-V184 HydrophobicContact SD-CG2 4.01Å; M137-L187 HydrophobicContact CB-CD2 4.3Å; M137-L187 HydrophobicContact CG-CD2 4.47Å |
| 138 | E | 91.4 | Very high | 89.4 | Confident | 100 Ų | 100 | 44.9 Ų | 44.9 | 47% | 0.467 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 178.9 | -169.6 | 59.3 | -155.8 | 0 | 0 | 112 | Q134 H135 T140 K141 T142 | Q134-E138 WeakPolarHBondContact O-CB 3.21Å; Q134-E138 PolarHBondContact O-N 3.21Å; H135-E138 PolarHBondContact O-N 3.31Å; E138-T140 PolarHBondContact O-N 3.47Å; E138-K141 PolarHBondContact O-N 3.37Å; E138-K141 VanDerWaalsContact O-N 3.16Å; E138-T142 WeakPolarHBondContact O-CG2 3.16Å; E138-T142 PolarHBondContact O-N 3.12Å; E138-T142 PolarHBondContact O-OG1 2.99Å |
| 139 | L | 90.3 | Very high | 89.8 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -34.5 | 172.3 | -171.1 | 65.2 | 0 | 0 | 0 | 111.2 | W93 Y96 H135 T142 R143 L146 L150 | W93-L139 HydrophobicContact CH2-CD2 4.29Å; Y96-L139 HydrophobicContact CD1-CD2 4.02Å; Y96-L139 HydrophobicContact CE1-CD2 3.72Å; H135-L139 VanDerWaalsContact O-CB 3.25Å; H135-L139 WeakPolarHBondContact O-CB 3.18Å; H135-L139 PolarHBondContact O-N 3.09Å; L139-T142 PolarHBondContact O-N 3.24Å; L139-R143 HydrophobicContact CD1-CB 4.03Å; L139-R143 HydrophobicContact CD1-CG 4.48Å; L139-R143 CarbonylContact O-C 3.26Å; L139-R143 VanDerWaalsContact O-CA 3.3Å; L139-R143 WeakPolarHBondContact O-CA 3.19Å; L139-R143 PolarHBondContact O-N 3.4Å; L139-L146 HydrophobicContact CD2-CB 4.07Å; L139-L146 HydrophobicContact CG-CB 4.29Å; L139-L150 HydrophobicContact CD2-CD2 4.32Å |
| 140 | T | 90.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -38.3 | 175.1 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | C136 M137 E138 F144 G147 I148 L151 L187 Y191 | C136-T140 PolarHBondContact O-N 3.13Å; C136-T140 VanDerWaalsContact O-N 3.08Å; C136-T140 PolarHBondContact O-OG1 3.29Å; M137-T140 VanDerWaalsContact O-CB 3.3Å; M137-T140 WeakPolarHBondContact O-CB 3.4Å; M137-T140 PolarHBondContact O-N 3.27Å; M137-T140 VanDerWaalsContact O-N 3.12Å; E138-T140 PolarHBondContact O-N 3.47Å; T140-F144 HydrophobicContact CG2-CD2 4.17Å; T140-F144 VanDerWaalsContact O-CA 3.28Å; T140-F144 WeakPolarHBondContact O-CA 3.25Å; T140-G147 VanDerWaalsContact OG1-CA 3.3Å; T140-G147 WeakPolarHBondContact OG1-CA 3.4Å; T140-G147 PolarHBondContact OG1-O 2.88Å; T140-I148 HydrophobicContact CG2-CD1 3.64Å; T140-I148 HydrophobicContact CG2-CG1 3.91Å; T140-L151 HydrophobicContact CG2-CD1 4.43Å; T140-L151 VanDerWaalsContact OG1-CD1 3.32Å; T140-L151 WeakPolarHBondContact OG1-CD1 3.48Å; T140-L187 HydrophobicContact CG2-CD2 4.02Å; T140-Y191 HydrophobicContact CG2-CE2 3.86Å; T140-Y191 PolarHBondContact O-OH 3.23Å |
| 141 | K | 89.6 | Confident | 90.6 | Very high | 87 Ų | 87 | 36.2 Ų | 36.2 | 38% | 0.378 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -72.6 | -28.6 | 177.6 | -65.9 | 177.3 | -173.6 | 172.2 | 0 | 114.1 | M137 E138 L187 L217 A220 | M137-K141 WeakPolarHBondContact O-CG 3.45Å; M137-K141 PolarHBondContact O-N 3.19Å; E138-K141 PolarHBondContact O-N 3.37Å; E138-K141 VanDerWaalsContact O-N 3.16Å; K141-L187 HydrophobicContact CG-CD1 4.12Å; K141-L187 HydrophobicContact CG-CD2 4.46Å; K141-L217 HydrophobicContact CB-CD2 4.14Å; K141-L217 HydrophobicContact CD-CD2 4.38Å; K141-L217 HydrophobicContact CG-CD2 3.72Å; K141-A220 WeakPolarHBondContact O-CB 3.46Å |
| 142 | T | 87.1 | Confident | 90.9 | Very high | 79 Ų | 79 | 35.9 Ų | 35.9 | 49% | 0.485 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -102.3 | -37.6 | -175.3 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | E138 L139 | E138-T142 WeakPolarHBondContact O-CG2 3.16Å; E138-T142 PolarHBondContact O-N 3.12Å; E138-T142 PolarHBondContact O-OG1 2.99Å; L139-T142 PolarHBondContact O-N 3.24Å |
| 143 | R | 86.5 | Confident | 90.9 | Very high | 113 Ų | 113 | 36.1 Ų | 36.1 | 43% | 0.426 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -136.6 | 75.8 | 179.3 | -66.1 | -167.1 | 174.1 | -151.7 | -0.4 | 110.4 | A97 L99 L139 Q145 L146 G147 | A97-R143 PolarHBondContact O-NE 3.05Å; A97-R143 PolarHBondContact O-NH1 2.83Å; L99-R143 PolarHBondContact O-NH1 3.29Å; L139-R143 HydrophobicContact CD1-CB 4.03Å; L139-R143 HydrophobicContact CD1-CG 4.48Å; L139-R143 CarbonylContact O-C 3.26Å; L139-R143 VanDerWaalsContact O-CA 3.3Å; L139-R143 WeakPolarHBondContact O-CA 3.19Å; L139-R143 PolarHBondContact O-N 3.4Å; R143-Q145 PolarHBondContact O-N 3.15Å; R143-Q145 VanDerWaalsContact O-N 3.16Å; R143-L146 HydrophobicContact CB-CB 4.44Å; R143-L146 HydrophobicContact CB-CD1 4.3Å; R143-L146 PolarHBondContact O-N 3.22Å; R143-G147 PolarHBondContact O-N 2.64Å; R143-G147 VanDerWaalsContact O-N 3.08Å |
| 144 | F | 88.2 | Confident | 91 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -43.7 | -53.3 | -170.8 | -179.1 | -102.8 | 0 | 0 | 0 | 115.4 | T140 L146 G147 I148 Y191 L221 L234 | T140-F144 HydrophobicContact CG2-CD2 4.17Å; T140-F144 VanDerWaalsContact O-CA 3.28Å; T140-F144 WeakPolarHBondContact O-CA 3.25Å; F144-L146 VanDerWaalsContact C-N 3.31Å; F144-L146 PolarHBondContact O-N 3.49Å; F144-G147 PolarHBondContact O-N 3.44Å; F144-I148 HydrophobicContact CD2-CG1 3.92Å; F144-I148 HydrophobicContact CE1-CG1 4.21Å; F144-I148 HydrophobicContact CE2-CD1 4.12Å; F144-I148 HydrophobicContact CE2-CG1 3.47Å; F144-I148 VanDerWaalsContact CE2-CG1 3.47Å; F144-I148 HydrophobicContact CG-CG1 4.47Å; F144-I148 HydrophobicContact CZ-CG1 3.66Å; F144-I148 WeakPolarHBondContact O-CB 3.3Å; F144-I148 PolarHBondContact O-N 3.3Å; F144-Y191 AromaticContact CD2-CD1 3.86Å; F144-Y191 HydrophobicContact CD2-CD1 3.86Å; F144-Y191 HydrophobicContact CD2-CD2 4.25Å; F144-Y191 AromaticContact CD2-CE1 3.57Å; F144-Y191 HydrophobicContact CD2-CE1 3.57Å; F144-Y191 AromaticContact CD2-CE2 3.98Å; F144-Y191 HydrophobicContact CD2-CE2 3.98Å; F144-Y191 HydrophobicContact CD2-CG 4.19Å; F144-Y191 AromaticContact CD2-CZ 3.63Å; F144-Y191 AromaticContact CE2-CD1 3.49Å; F144-Y191 HydrophobicContact CE2-CD1 3.49Å; F144-Y191 VanDerWaalsContact CE2-CD1 3.49Å; F144-Y191 AromaticContact CE2-CD2 3.74Å; F144-Y191 HydrophobicContact CE2-CD2 3.74Å; F144-Y191 AromaticContact CE2-CE1 3.72Å; F144-Y191 HydrophobicContact CE2-CE1 3.72Å; F144-Y191 AromaticContact CE2-CE2 3.95Å; F144-Y191 HydrophobicContact CE2-CE2 3.95Å; F144-Y191 AromaticContact CE2-CG 3.5Å; F144-Y191 HydrophobicContact CE2-CG 3.5Å; F144-Y191 AromaticContact CE2-CZ 3.94Å; F144-Y191 HydrophobicContact CZ-CD1 4.3Å; F144-Y191 HydrophobicContact CZ-CG 4.34Å; F144-L221 HydrophobicContact CD1-CD2 3.92Å; F144-L221 HydrophobicContact CD2-CD2 4.34Å; F144-L221 HydrophobicContact CE1-CD2 4.15Å; F144-L221 HydrophobicContact CG-CD2 4Å; F144-L221 HydrophobicContact CZ-CD2 4.43Å; F144-L234 HydrophobicContact CE2-CD1 4.46Å; F144-L234 HydrophobicContact CZ-CB 4Å; F144-L234 HydrophobicContact CZ-CD1 4.15Å; F144-L234 HydrophobicContact CZ-CD2 4.29Å; F144-L234 HydrophobicContact CZ-CG 4.37Å |
| 145 | Q | 86.6 | Confident | 91 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 15% | 0.15 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -33.1 | -176.6 | -71.6 | 179.9 | -3.6 | 0 | 0 | 114 | R143 N149 S230 | R143-Q145 PolarHBondContact O-N 3.15Å; R143-Q145 VanDerWaalsContact O-N 3.16Å; Q145-N149 WeakPolarHBondContact O-CB 3.41Å; Q145-S230 WeakPolarHBondContact CG-OG 3.36Å; Q145-S230 PolarHBondContact NE2-OG 3.37Å |
| 146 | L | 88.4 | Confident | 91.1 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -79.2 | -45.7 | 177.7 | -62.7 | 177.9 | 0 | 0 | 0 | 110 | Y96 L99 R110 L139 R143 F144 N149 L150 | Y96-L146 HydrophobicContact CE1-CB 3.9Å; Y96-L146 HydrophobicContact CE1-CD2 4.48Å; Y96-L146 HydrophobicContact CE2-CD2 4.24Å; Y96-L146 WeakPolarHBondContact O-CD1 3.32Å; Y96-L146 PolarHBondContact OH-O 3.35Å; L99-L146 HydrophobicContact CB-CD2 4.37Å; R110-L146 HydrophobicContact CG-CD2 3.81Å; L139-L146 HydrophobicContact CD2-CB 4.07Å; L139-L146 HydrophobicContact CG-CB 4.29Å; R143-L146 HydrophobicContact CB-CB 4.44Å; R143-L146 HydrophobicContact CB-CD1 4.3Å; R143-L146 PolarHBondContact O-N 3.22Å; F144-L146 VanDerWaalsContact C-N 3.31Å; F144-L146 PolarHBondContact O-N 3.49Å; L146-N149 PolarHBondContact O-N 3.14Å; L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 PolarHBondContact O-N 3.23Å |
| 147 | G | 91.2 | Very high | 91 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T140 R143 F144 N149 L150 L151 | T140-G147 VanDerWaalsContact OG1-CA 3.3Å; T140-G147 WeakPolarHBondContact OG1-CA 3.4Å; T140-G147 PolarHBondContact OG1-O 2.88Å; R143-G147 PolarHBondContact O-N 2.64Å; R143-G147 VanDerWaalsContact O-N 3.08Å; F144-G147 PolarHBondContact O-N 3.44Å; G147-N149 VanDerWaalsContact C-N 3.34Å; G147-N149 PolarHBondContact O-N 3.36Å; G147-L150 PolarHBondContact O-N 3.22Å; G147-L151 WeakPolarHBondContact O-CG 3.25Å; G147-L151 PolarHBondContact O-N 3.34Å |
| 148 | I | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 177.7 | -78.5 | -50.6 | 0 | 0 | 0 | 112.2 | T140 F144 L151 K152 D233 L234 C237 | T140-I148 HydrophobicContact CG2-CD1 3.64Å; T140-I148 HydrophobicContact CG2-CG1 3.91Å; F144-I148 HydrophobicContact CD2-CG1 3.92Å; F144-I148 HydrophobicContact CE1-CG1 4.21Å; F144-I148 HydrophobicContact CE2-CD1 4.12Å; F144-I148 HydrophobicContact CE2-CG1 3.47Å; F144-I148 VanDerWaalsContact CE2-CG1 3.47Å; F144-I148 HydrophobicContact CG-CG1 4.47Å; F144-I148 HydrophobicContact CZ-CG1 3.66Å; F144-I148 WeakPolarHBondContact O-CB 3.3Å; F144-I148 PolarHBondContact O-N 3.3Å; I148-L151 HydrophobicContact CD1-CD1 4.27Å; I148-L151 PolarHBondContact O-N 2.89Å; I148-K152 WeakPolarHBondContact O-CB 3.3Å; I148-K152 PolarHBondContact O-N 2.93Å; I148-D233 HydrophobicContact CG2-CB 4.24Å; I148-D233 WeakPolarHBondContact CG2-O 3.41Å; I148-L234 HydrophobicContact CD1-CD1 3.82Å; I148-L234 HydrophobicContact CG1-CD1 4.27Å; I148-C237 HydrophobicContact CG2-CB 3.84Å |
| 149 | N | 91.6 | Very high | 90.7 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 178.1 | -172.7 | 69.8 | 0 | 0 | 0 | 111.7 | R110 D111 Q145 L146 G147 K152 I153 | R110-N149 PolarHBondContact NH2-OD1 3.37Å; D111-N149 VanDerWaalsContact OD1-CG 3.28Å; D111-N149 PolarHBondContact OD1-ND2 3.39Å; D111-N149 VanDerWaalsContact OD1-ND2 3.08Å; D111-N149 PolarHBondContact OD1-OD1 3Å; Q145-N149 WeakPolarHBondContact O-CB 3.41Å; L146-N149 PolarHBondContact O-N 3.14Å; G147-N149 VanDerWaalsContact C-N 3.34Å; G147-N149 PolarHBondContact O-N 3.36Å; N149-K152 WeakPolarHBondContact O-CB 3.35Å; N149-K152 PolarHBondContact O-N 3.45Å; N149-I153 WeakPolarHBondContact ND2-CD1 3.47Å; N149-I153 WeakPolarHBondContact O-CG1 2.97Å; N149-I153 PolarHBondContact O-N 2.99Å |
| 150 | L | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.7 | -176.4 | 60.8 | 0 | 0 | 0 | 111.7 | W93 Y96 A114 I117 C136 L139 L146 G147 K152 I153 T154 | W93-L150 HydrophobicContact CH2-CD2 4.16Å; W93-L150 HydrophobicContact CZ3-CD2 3.7Å; Y96-L150 HydrophobicContact CE1-CB 4.19Å; Y96-L150 HydrophobicContact CE1-CD2 4.38Å; A114-L150 HydrophobicContact CB-CD1 4Å; I117-L150 HydrophobicContact CB-CD1 4.1Å; I117-L150 HydrophobicContact CG2-CD1 3.84Å; I117-L150 HydrophobicContact CG2-CD2 4.29Å; C136-L150 VanDerWaalsContact SG-CD2 3.6Å; L139-L150 HydrophobicContact CD2-CD2 4.32Å; L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 PolarHBondContact O-N 3.23Å; G147-L150 PolarHBondContact O-N 3.22Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-K152 PolarHBondContact O-N 2.89Å; L150-I153 PolarHBondContact O-N 3.26Å; L150-T154 VanDerWaalsContact O-CB 3.28Å; L150-T154 WeakPolarHBondContact O-CB 3.44Å; L150-T154 PolarHBondContact O-N 3.3Å; L150-T154 PolarHBondContact O-OG1 3.21Å |
| 151 | L | 94.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 174.1 | -77.4 | 174.1 | 0 | 0 | 0 | 111.9 | M133 C136 T140 G147 I148 T154 S155 V184 | M133-L151 HydrophobicContact SD-CD2 3.94Å; C136-L151 HydrophobicContact CB-CD2 3.73Å; C136-L151 HydrophobicContact CB-CG 4.23Å; T140-L151 HydrophobicContact CG2-CD1 4.43Å; T140-L151 VanDerWaalsContact OG1-CD1 3.32Å; T140-L151 WeakPolarHBondContact OG1-CD1 3.48Å; G147-L151 WeakPolarHBondContact O-CG 3.25Å; G147-L151 PolarHBondContact O-N 3.34Å; I148-L151 HydrophobicContact CD1-CD1 4.27Å; I148-L151 PolarHBondContact O-N 2.89Å; L151-T154 PolarHBondContact O-N 3.18Å; L151-S155 WeakPolarHBondContact O-CB 3.43Å; L151-S155 PolarHBondContact O-N 3.13Å; L151-V184 HydrophobicContact CD1-CG1 4.44Å; L151-V184 HydrophobicContact CD2-CG1 4.47Å; L151-V184 HydrophobicContact CD2-CG2 4.45Å |
| 152 | K | 94.2 | Very high | 89.2 | Confident | 65 Ų | 65 | 35.7 Ų | 35.7 | 28% | 0.283 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.2 | -52.1 | 175.9 | -178.2 | -174.9 | 178.5 | -137.5 | 0 | 111.3 | I148 N149 L150 T154 S155 E156 C237 | I148-K152 WeakPolarHBondContact O-CB 3.3Å; I148-K152 PolarHBondContact O-N 2.93Å; N149-K152 WeakPolarHBondContact O-CB 3.35Å; N149-K152 PolarHBondContact O-N 3.45Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-K152 PolarHBondContact O-N 2.89Å; K152-T154 VanDerWaalsContact C-N 3.33Å; K152-T154 PolarHBondContact O-N 3.3Å; K152-S155 WeakPolarHBondContact O-CA 3.46Å; K152-S155 VanDerWaalsContact O-CB 3.23Å; K152-S155 WeakPolarHBondContact O-CB 3.22Å; K152-S155 PolarHBondContact O-N 3.21Å; K152-S155 VanDerWaalsContact O-N 3.12Å; K152-E156 WeakPolarHBondContact CE-OE1 3.31Å; K152-E156 IonicContact NZ-OE1 3.93Å; K152-E156 PolarHBondContact NZ-OE1 3.25Å; K152-E156 PolarHBondContact O-N 3.2Å; K152-C237 HydrophobicContact CB-CB 3.85Å; K152-C237 HydrophobicContact CG-CB 4.39Å |
| 153 | I | 93.8 | Very high | 88.2 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 5% | 0.046 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.8 | -32.9 | -175.9 | -64.3 | 165.7 | 0 | 0 | 0 | 111.3 | D111 A114 Q115 A118 N149 L150 S155 E156 E157 | D111-I153 HydrophobicContact CB-CD1 4.24Å; D111-I153 WeakPolarHBondContact O-CD1 3.28Å; A114-I153 HydrophobicContact CB-CD1 3.48Å; A114-I153 VanDerWaalsContact CB-CD1 3.48Å; Q115-I153 HydrophobicContact CB-CG2 3.99Å; Q115-I153 HydrophobicContact CG-CG2 4.46Å; A118-I153 HydrophobicContact CB-CG2 3.87Å; N149-I153 WeakPolarHBondContact ND2-CD1 3.47Å; N149-I153 WeakPolarHBondContact O-CG1 2.97Å; N149-I153 PolarHBondContact O-N 2.99Å; L150-I153 PolarHBondContact O-N 3.26Å; I153-S155 VanDerWaalsContact C-N 3.31Å; I153-S155 PolarHBondContact O-N 2.99Å; I153-E156 WeakPolarHBondContact O-CB 3.41Å; I153-E156 PolarHBondContact O-N 3.46Å; I153-E157 PolarHBondContact O-N 3.37Å |
| 154 | T | 93.5 | Very high | 87.7 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 169.6 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | Y132 M133 L150 L151 K152 E156 E157 V158 I177 | Y132-T154 HydrophobicContact CE1-CG2 3.81Å; Y132-T154 PolarHBondContact OH-OG1 2.9Å; M133-T154 HydrophobicContact CE-CG2 4.16Å; L150-T154 VanDerWaalsContact O-CB 3.28Å; L150-T154 WeakPolarHBondContact O-CB 3.44Å; L150-T154 PolarHBondContact O-N 3.3Å; L150-T154 PolarHBondContact O-OG1 3.21Å; L151-T154 PolarHBondContact O-N 3.18Å; K152-T154 VanDerWaalsContact C-N 3.33Å; K152-T154 PolarHBondContact O-N 3.3Å; T154-E156 PolarHBondContact O-N 3.35Å; T154-E157 PolarHBondContact O-N 3.19Å; T154-V158 WeakPolarHBondContact O-CG2 3.45Å; T154-V158 PolarHBondContact O-N 3.22Å; T154-V158 VanDerWaalsContact O-N 3.13Å; T154-I177 HydrophobicContact CG2-CD1 3.98Å |
| 155 | S | 92.9 | Very high | 87.3 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 175.2 | -175 | 0 | 0 | 0 | 0 | 112 | L151 K152 I153 E157 V158 H240 L241 W244 | L151-S155 WeakPolarHBondContact O-CB 3.43Å; L151-S155 PolarHBondContact O-N 3.13Å; K152-S155 WeakPolarHBondContact O-CA 3.46Å; K152-S155 VanDerWaalsContact O-CB 3.23Å; K152-S155 WeakPolarHBondContact O-CB 3.22Å; K152-S155 PolarHBondContact O-N 3.21Å; K152-S155 VanDerWaalsContact O-N 3.12Å; I153-S155 VanDerWaalsContact C-N 3.31Å; I153-S155 PolarHBondContact O-N 2.99Å; S155-E157 PolarHBondContact O-N 2.84Å; S155-V158 WeakPolarHBondContact O-CB 3.45Å; S155-V158 PolarHBondContact O-N 3.27Å; S155-H240 WeakPolarHBondContact CB-ND1 3.35Å; S155-H240 PolarHBondContact O-CE1 3.02Å; S155-H240 PolarHBondContact OG-ND1 2.98Å; S155-L241 WeakPolarHBondContact OG-CD2 3.48Å; S155-W244 PolarHBondContact OG-NE1 3.49Å |
| 156 | E | 92.6 | Very high | 86.9 | Confident | 66 Ų | 66 | 29.8 Ų | 29.8 | 31% | 0.308 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 173.7 | -70.6 | 170.8 | -169.9 | 0 | 0 | 112.2 | K152 I153 T154 V158 V159 S160 H240 | K152-E156 WeakPolarHBondContact CE-OE1 3.31Å; K152-E156 IonicContact NZ-OE1 3.93Å; K152-E156 PolarHBondContact NZ-OE1 3.25Å; K152-E156 PolarHBondContact O-N 3.2Å; I153-E156 WeakPolarHBondContact O-CB 3.41Å; I153-E156 PolarHBondContact O-N 3.46Å; T154-E156 PolarHBondContact O-N 3.35Å; E156-V158 VanDerWaalsContact C-N 3.33Å; E156-V158 PolarHBondContact O-N 3.43Å; E156-V159 PolarHBondContact O-N 2.93Å; E156-S160 PolarHBondContact O-N 3.01Å; E156-H240 WeakPolarHBondContact CA-CE1 3.46Å; E156-H240 VanDerWaalsContact CG-CD2 3.47Å; E156-H240 WeakPolarHBondContact CG-CD2 3.13Å; E156-H240 WeakPolarHBondContact CG-NE2 3.42Å; E156-H240 PolarHBondContact N-CE1 3.04Å; E156-H240 VanDerWaalsContact N-CE1 3.31Å; E156-H240 PolarHBondContact N-ND1 3.34Å |
| 157 | E | 90.4 | Very high | 86.4 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.9 | -19.1 | 179.1 | -70.8 | -56.4 | 152 | 0 | 0 | 114.4 | A118 L119 K122 I153 T154 S155 S160 R162 | A118-E157 HydrophobicContact CB-CG 4.07Å; L119-E157 HydrophobicContact CD2-CG 4.34Å; K122-E157 HydrophobicContact CD-CB 4.46Å; K122-E157 IonicContact NZ-OE2 3.28Å; I153-E157 PolarHBondContact O-N 3.37Å; T154-E157 PolarHBondContact O-N 3.19Å; S155-E157 PolarHBondContact O-N 2.84Å; E157-S160 WeakPolarHBondContact O-CB 3.41Å; E157-S160 WeakPolarHBondContact OE2-CB 3.33Å; E157-S160 PolarHBondContact OE2-OG 3.34Å; E157-S160 VanDerWaalsContact OE2-OG 3.04Å; E157-R162 IonicContact OE1-CZ 3.25Å; E157-R162 IonicContact OE1-NE 3.59Å; E157-R162 IonicContact OE1-NH2 3.57Å; E157-R162 IonicContact OE2-NE 3.61Å |
| 158 | V | 89.6 | Confident | 85.8 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 172.6 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | T154 S155 E156 F173 Y174 I177 W244 | T154-V158 WeakPolarHBondContact O-CG2 3.45Å; T154-V158 PolarHBondContact O-N 3.22Å; T154-V158 VanDerWaalsContact O-N 3.13Å; S155-V158 WeakPolarHBondContact O-CB 3.45Å; S155-V158 PolarHBondContact O-N 3.27Å; E156-V158 VanDerWaalsContact C-N 3.33Å; E156-V158 PolarHBondContact O-N 3.43Å; V158-F173 HydrophobicContact CB-CE1 4.5Å; V158-F173 HydrophobicContact CG2-CE1 3.86Å; V158-F173 HydrophobicContact CG2-CZ 4.47Å; V158-Y174 HydrophobicContact CG1-CD2 3.46Å; V158-Y174 VanDerWaalsContact CG1-CD2 3.46Å; V158-Y174 HydrophobicContact CG1-CE2 4.15Å; V158-Y174 HydrophobicContact CG1-CG 4.28Å; V158-I177 HydrophobicContact CG2-CB 4.41Å; V158-I177 HydrophobicContact CG2-CD1 3.45Å; V158-I177 VanDerWaalsContact CG2-CD1 3.45Å; V158-I177 HydrophobicContact CG2-CG1 4.49Å; V158-I177 HydrophobicContact CG2-CG2 4.1Å; V158-W244 HydrophobicContact CB-CZ2 4.4Å; V158-W244 HydrophobicContact CG1-CE3 4.47Å; V158-W244 HydrophobicContact CG1-CH2 4.2Å; V158-W244 HydrophobicContact CG1-CZ2 4.23Å; V158-W244 HydrophobicContact CG1-CZ3 4.32Å; V158-W244 HydrophobicContact CG2-CZ2 4.4Å |
| 159 | V | 87.2 | Confident | 85.3 | Confident | 67 Ų | 67 | 38.3 Ų | 38.3 | 41% | 0.406 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -97.4 | 5.9 | -176.2 | -163.1 | 0 | 0 | 0 | 0 | 111.7 | E156 N161 W244 | E156-V159 PolarHBondContact O-N 2.93Å; V159-N161 PolarHBondContact O-N 3.41Å; V159-W244 HydrophobicContact CG2-CB 3.74Å; V159-W244 HydrophobicContact CG2-CD2 4.16Å; V159-W244 HydrophobicContact CG2-CG 3.46Å; V159-W244 VanDerWaalsContact CG2-CG 3.46Å |
| 160 | S | 85.6 | Confident | 85 | Confident | 19 Ų | 19 | 40 Ų | 40 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | trans | -70.1 | 121.6 | -174.3 | 175 | 0 | 0 | 0 | 0 | 112.9 | E156 E157 R162 | E156-S160 PolarHBondContact O-N 3.01Å; E157-S160 WeakPolarHBondContact O-CB 3.41Å; E157-S160 WeakPolarHBondContact OE2-CB 3.33Å; E157-S160 PolarHBondContact OE2-OG 3.34Å; E157-S160 VanDerWaalsContact OE2-OG 3.04Å; S160-R162 PolarHBondContact O-N 3.47Å; S160-R162 VanDerWaalsContact OG-CD 3.25Å; S160-R162 WeakPolarHBondContact OG-CD 3.48Å; S160-R162 WeakPolarHBondContact OG-CG 3.5Å | ||
| 161 | N | 75.4 | Confident | 84.7 | Confident | 160 Ų | 160 | 45 Ų | 45 | 86% | 0.856 | 23% | 0.23 | S | C | * | . | trans | -83.4 | 12.2 | 177.7 | -71.2 | -23.1 | 0 | 0 | 0 | 114 | V159 | V159-N161 PolarHBondContact O-N 3.41Š| ||
| 162 | R | 77.3 | Confident | 84.4 | Confident | 81 Ų | 81 | 49.6 Ų | 49.6 | 31% | 0.306 | 25% | 0.247 | S | C | . | . | trans | -56.3 | 138.8 | -179.5 | -69.4 | 172.9 | -172.9 | -131.6 | -0.6 | 111.7 | E70 E157 S160 D164 K170 | E70-R162 IonicContact OE1-CZ 2.69Å; E70-R162 IonicContact OE1-NH1 2.75Å; E70-R162 PolarHBondContact OE1-NH1 3.48Å; E157-R162 IonicContact OE1-CZ 3.25Å; E157-R162 IonicContact OE1-NE 3.59Å; E157-R162 IonicContact OE1-NH2 3.57Å; E157-R162 IonicContact OE2-NE 3.61Å; S160-R162 PolarHBondContact O-N 3.47Å; S160-R162 VanDerWaalsContact OG-CD 3.25Å; S160-R162 WeakPolarHBondContact OG-CD 3.48Å; S160-R162 WeakPolarHBondContact OG-CG 3.5Å; R162-D164 HydrophobicContact CB-CB 4.38Å; R162-D164 PolarHBondContact O-N 2.88Å; R162-K170 WeakPolarHBondContact O-CE 3.5Å; R162-K170 PolarHBondContact O-NZ 3.45Å | ||
| 163 | G | 66.4 | Low | 84.1 | Confident | 28 Ų | 28 | 46.6 Ų | 46.6 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R75 | R75-G163 PolarHBondContact NH1-O 3.29Š|
| 164 | D | 76.6 | Confident | 84 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -29.1 | -173.5 | 59.2 | -21.6 | 0 | 0 | 0 | 113.8 | T74 K122 R123 R162 | T74-D164 HydrophobicContact CG2-CB 4.27Å; K122-D164 IonicContact NZ-OD1 3.21Å; K122-D164 PolarHBondContact NZ-OD1 2.86Å; K122-D164 VanDerWaalsContact NZ-OD1 3.15Å; K122-D164 IonicContact NZ-OD2 3.83Å; K122-D164 PolarHBondContact NZ-OD2 3.23Å; R123-D164 PolarHBondContact NH1-O 2.92Å; R123-D164 PolarHBondContact NH2-O 3.45Å; R162-D164 HydrophobicContact CB-CB 4.38Å; R162-D164 PolarHBondContact O-N 2.88Å |
| 165 | L | 80.8 | Confident | 83.8 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -137 | 157 | -173.9 | -84.4 | 161.2 | 0 | 0 | 0 | 111.4 | K122 W169 K170 | K122-L165 HydrophobicContact CD-CD1 3.87Å; K122-L165 HydrophobicContact CG-CD1 3.75Å; L165-W169 HydrophobicContact CD2-CB 4.49Å; L165-W169 HydrophobicContact CD2-CG 4.05Å; L165-K170 HydrophobicContact CB-CG 4.22Å; L165-K170 WeakPolarHBondContact O-CE 3.14Å |
| 166 | T | 77.9 | Confident | 83.7 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | trans | -64.9 | 153.9 | 175.7 | 60.9 | 0 | 0 | 0 | 0 | 111.4 | E168 W169 K170 D1043 | T166-E168 VanDerWaalsContact C-N 3.34Å; T166-E168 PolarHBondContact O-N 3.45Å; T166-W169 PolarHBondContact O-N 3.02Å; T166-W169 WeakPolarHBondContact OG1-CB 3.3Å; T166-W169 PolarHBondContact OG1-N 2.92Å; T166-K170 WeakPolarHBondContact O-CG 3.32Å; T166-K170 PolarHBondContact O-N 3Å; T166-K170 VanDerWaalsContact O-N 3.15Å; T166-D1043 VanDerWaalsContact CA-OD1 3.25Å; T166-D1043 WeakPolarHBondContact CA-OD1 3.46Å; T166-D1043 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 167 | T | 77.1 | Confident | 83.7 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 179.9 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | W169 K170 Q171 Q1039 Q1042 D1043 | T167-W169 VanDerWaalsContact C-N 3.34Å; T167-W169 PolarHBondContact O-N 3.29Å; T167-K170 PolarHBondContact O-N 2.84Å; T167-Q171 WeakPolarHBondContact O-CG 3.38Å; T167-Q171 PolarHBondContact O-N 3Å; T167-Q1039 HydrophobicContact CG2-CG 4.41Å; T167-Q1039 WeakPolarHBondContact OG1-CG 3.28Å; T167-Q1042 HydrophobicContact CG2-CB 3.81Å; T167-Q1042 HydrophobicContact CG2-CG 4.48Å; T167-D1043 PolarHBondContact N-OD1 3.22Å |
| 168 | E | 77.8 | Confident | 83.8 | Confident | 136 Ų | 136 | 51.7 Ų | 51.7 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58.4 | -45.3 | 177.1 | -63.4 | -176.4 | 166.1 | 0 | 0 | 111.6 | T166 K170 Q171 Y172 | T166-E168 VanDerWaalsContact C-N 3.34Å; T166-E168 PolarHBondContact O-N 3.45Å; E168-K170 PolarHBondContact O-N 2.95Å; E168-Q171 PolarHBondContact O-N 3.16Å; E168-Y172 WeakPolarHBondContact O-CB 3.26Å; E168-Y172 PolarHBondContact O-N 3.41Å |
| 169 | W | 83.4 | Confident | 83.8 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 179.4 | -175.8 | -91.2 | 0 | 0 | 0 | 112 | K122 R123 E127 L165 T166 T167 Q171 Y172 F173 | K122-W169 PolarHBondContact O-NE1 3.38Å; R123-W169 WeakPolarHBondContact O-CZ2 3.48Å; E127-W169 HydrophobicContact CG-CH2 4.1Å; L165-W169 HydrophobicContact CD2-CB 4.49Å; L165-W169 HydrophobicContact CD2-CG 4.05Å; T166-W169 PolarHBondContact O-N 3.02Å; T166-W169 WeakPolarHBondContact OG1-CB 3.3Å; T166-W169 PolarHBondContact OG1-N 2.92Å; T167-W169 VanDerWaalsContact C-N 3.34Å; T167-W169 PolarHBondContact O-N 3.29Å; W169-Q171 VanDerWaalsContact C-N 3.33Å; W169-Q171 PolarHBondContact O-N 3.27Å; W169-Y172 HydrophobicContact CE3-CD1 4.26Å; W169-Y172 HydrophobicContact CH2-CD1 4.47Å; W169-Y172 HydrophobicContact CZ3-CD1 4.13Å; W169-Y172 HydrophobicContact CZ3-CE1 4.38Å; W169-Y172 WeakPolarHBondContact O-CB 3.29Å; W169-Y172 PolarHBondContact O-N 3.12Å; W169-F173 WeakPolarHBondContact O-CB 3.49Å; W169-F173 PolarHBondContact O-N 2.93Å |
| 170 | K | 85.4 | Confident | 84.1 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 17% | 0.174 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 176.7 | -68.1 | 178.5 | -172.2 | 173.9 | 0 | 112.1 | R162 L165 T166 T167 E168 F173 Y174 | R162-K170 WeakPolarHBondContact O-CE 3.5Å; R162-K170 PolarHBondContact O-NZ 3.45Å; L165-K170 HydrophobicContact CB-CG 4.22Å; L165-K170 WeakPolarHBondContact O-CE 3.14Å; T166-K170 WeakPolarHBondContact O-CG 3.32Å; T166-K170 PolarHBondContact O-N 3Å; T166-K170 VanDerWaalsContact O-N 3.15Å; T167-K170 PolarHBondContact O-N 2.84Å; E168-K170 PolarHBondContact O-N 2.95Å; K170-F173 PolarHBondContact O-N 2.95Å; K170-Y174 WeakPolarHBondContact O-CB 3.45Å; K170-Y174 PolarHBondContact O-N 3.04Å |
| 171 | Q | 85.3 | Confident | 84.4 | Confident | 107 Ų | 107 | 56 Ų | 56 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 175.5 | -71.9 | -178.5 | -4.6 | 0 | 0 | 112 | T167 E168 W169 S175 | T167-Q171 WeakPolarHBondContact O-CG 3.38Å; T167-Q171 PolarHBondContact O-N 3Å; E168-Q171 PolarHBondContact O-N 3.16Å; W169-Q171 VanDerWaalsContact C-N 3.33Å; W169-Q171 PolarHBondContact O-N 3.27Å; Q171-S175 WeakPolarHBondContact O-CB 3.37Å; Q171-S175 PolarHBondContact O-N 3.43Å; Q171-S175 PolarHBondContact O-OG 3.02Å |
| 172 | Y | 88.7 | Confident | 85.3 | Confident | 103 Ų | 103 | 51 Ų | 51 | 40% | 0.404 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.5 | -50.6 | 173.8 | -178.6 | -118.4 | 0 | 0 | 0 | 111.2 | P126 E168 W169 Y174 S175 C176 | P126-Y172 HydrophobicContact CG-CE1 3.86Å; P126-Y172 WeakPolarHBondContact CG-OH 3.5Å; E168-Y172 WeakPolarHBondContact O-CB 3.26Å; E168-Y172 PolarHBondContact O-N 3.41Å; W169-Y172 HydrophobicContact CE3-CD1 4.26Å; W169-Y172 HydrophobicContact CH2-CD1 4.47Å; W169-Y172 HydrophobicContact CZ3-CD1 4.13Å; W169-Y172 HydrophobicContact CZ3-CE1 4.38Å; W169-Y172 WeakPolarHBondContact O-CB 3.29Å; W169-Y172 PolarHBondContact O-N 3.12Å; Y172-Y174 PolarHBondContact O-N 3.27Å; Y172-S175 WeakPolarHBondContact O-CB 3.43Å; Y172-S175 PolarHBondContact O-N 2.97Å; Y172-S175 VanDerWaalsContact O-N 3.1Å; Y172-C176 PolarHBondContact O-N 3.3Å; Y172-C176 PolarHBondContact O-SG 3.03Å |
| 173 | F | 89.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -47 | 176.2 | 178.6 | -112.9 | 0 | 0 | 0 | 112.8 | K122 F125 V158 W169 K170 S175 C176 I177 | K122-F173 HydrophobicContact CB-CE1 4.1Å; K122-F173 HydrophobicContact CB-CE2 4.37Å; K122-F173 HydrophobicContact CB-CZ 3.94Å; K122-F173 HydrophobicContact CG-CD1 3.97Å; K122-F173 HydrophobicContact CG-CE1 3.81Å; K122-F173 HydrophobicContact CG-CG 4.43Å; K122-F173 HydrophobicContact CG-CZ 4.16Å; F125-F173 HydrophobicContact CB-CE2 4.4Å; F125-F173 HydrophobicContact CD1-CD2 4.07Å; F125-F173 AromaticContact CD1-CE2 3.98Å; F125-F173 HydrophobicContact CD1-CE2 3.98Å; V158-F173 HydrophobicContact CB-CE1 4.5Å; V158-F173 HydrophobicContact CG2-CE1 3.86Å; V158-F173 HydrophobicContact CG2-CZ 4.47Å; W169-F173 WeakPolarHBondContact O-CB 3.49Å; W169-F173 PolarHBondContact O-N 2.93Å; K170-F173 PolarHBondContact O-N 2.95Å; F173-S175 VanDerWaalsContact C-N 3.29Å; F173-S175 PolarHBondContact O-N 3.23Å; F173-C176 PolarHBondContact O-N 2.84Å; F173-I177 HydrophobicContact CD1-CD1 4.24Å; F173-I177 HydrophobicContact CD2-CD1 4.14Å; F173-I177 HydrophobicContact CD2-CG1 4.4Å; F173-I177 HydrophobicContact CE1-CD1 3.57Å; F173-I177 HydrophobicContact CE2-CD1 3.41Å; F173-I177 VanDerWaalsContact CE2-CD1 3.41Å; F173-I177 HydrophobicContact CE2-CG1 4.03Å; F173-I177 HydrophobicContact CZ-CD1 3.11Å; F173-I177 HydrophobicContact CZ-CG1 4.17Å; F173-I177 PolarHBondContact O-N 3.33Å |
| 174 | Y | 90.7 | Very high | 87.4 | Confident | 77 Ų | 77 | 51 Ų | 51 | 30% | 0.302 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.3 | -45.1 | 173.9 | 176.4 | -84.9 | 0 | 0 | 0 | 111.5 | V158 K170 Y172 S178 W244 | V158-Y174 HydrophobicContact CG1-CD2 3.46Å; V158-Y174 VanDerWaalsContact CG1-CD2 3.46Å; V158-Y174 HydrophobicContact CG1-CE2 4.15Å; V158-Y174 HydrophobicContact CG1-CG 4.28Å; K170-Y174 WeakPolarHBondContact O-CB 3.45Å; K170-Y174 PolarHBondContact O-N 3.04Å; Y172-Y174 PolarHBondContact O-N 3.27Å; Y174-S178 WeakPolarHBondContact CE1-OG 3.49Å; Y174-S178 VanDerWaalsContact O-CB 3.25Å; Y174-S178 WeakPolarHBondContact O-CB 3.31Å; Y174-S178 PolarHBondContact O-N 2.79Å; Y174-S178 PolarHBondContact O-OG 3.34Å; Y174-W244 HydrophobicContact CD2-CE3 4.36Å; Y174-W244 HydrophobicContact CE2-CD2 4.33Å; Y174-W244 AromaticContact CE2-CE3 3.48Å; Y174-W244 HydrophobicContact CE2-CE3 3.48Å; Y174-W244 VanDerWaalsContact CE2-CE3 3.48Å; Y174-W244 AromaticContact CE2-CZ3 3.92Å; Y174-W244 HydrophobicContact CE2-CZ3 3.92Å; Y174-W244 AromaticContact CZ-CE3 3.95Å; Y174-W244 PolarHBondContact OH-O 2.92Å |
| 175 | S | 90.3 | Very high | 88.1 | Confident | 67 Ų | 67 | 51.1 Ų | 51.1 | 47% | 0.469 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | -179.6 | -59 | 0 | 0 | 0 | 0 | 111.5 | Q171 Y172 F173 S178 M179 | Q171-S175 WeakPolarHBondContact O-CB 3.37Å; Q171-S175 PolarHBondContact O-N 3.43Å; Q171-S175 PolarHBondContact O-OG 3.02Å; Y172-S175 WeakPolarHBondContact O-CB 3.43Å; Y172-S175 PolarHBondContact O-N 2.97Å; Y172-S175 VanDerWaalsContact O-N 3.1Å; F173-S175 VanDerWaalsContact C-N 3.29Å; F173-S175 PolarHBondContact O-N 3.23Å; S175-S178 WeakPolarHBondContact O-CB 3.23Å; S175-S178 PolarHBondContact O-N 3.43Å; S175-M179 WeakPolarHBondContact O-CG 3.18Å; S175-M179 PolarHBondContact O-N 3.34Å |
| 176 | C | 91.1 | Very high | 88.7 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 177.9 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | F125 P126 Y172 F173 S178 M179 | F125-C176 HydrophobicContact CD1-CB 4.32Å; F125-C176 HydrophobicContact CE1-CB 3.62Å; F125-C176 HydrophobicContact CZ-CB 4.35Å; P126-C176 HydrophobicContact CG-CB 4.32Å; Y172-C176 PolarHBondContact O-N 3.3Å; Y172-C176 PolarHBondContact O-SG 3.03Å; F173-C176 PolarHBondContact O-N 2.84Å; C176-S178 VanDerWaalsContact C-N 3.33Å; C176-S178 PolarHBondContact O-N 3.22Å; C176-M179 WeakPolarHBondContact O-CB 3.3Å; C176-M179 PolarHBondContact O-N 3.1Å |
| 177 | I | 91.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 176.1 | -72.8 | -174.2 | 0 | 0 | 0 | 111 | F125 M133 T154 V158 F173 M179 C180 V181 W244 | F125-I177 HydrophobicContact CD1-CG1 4.21Å; F125-I177 HydrophobicContact CE1-CG1 3.87Å; M133-I177 HydrophobicContact CE-CB 4.33Å; M133-I177 HydrophobicContact CE-CD1 3.92Å; M133-I177 HydrophobicContact CE-CG1 3.8Å; M133-I177 HydrophobicContact CE-CG2 3.83Å; T154-I177 HydrophobicContact CG2-CD1 3.98Å; V158-I177 HydrophobicContact CG2-CB 4.41Å; V158-I177 HydrophobicContact CG2-CD1 3.45Å; V158-I177 VanDerWaalsContact CG2-CD1 3.45Å; V158-I177 HydrophobicContact CG2-CG1 4.49Å; V158-I177 HydrophobicContact CG2-CG2 4.1Å; F173-I177 HydrophobicContact CD1-CD1 4.24Å; F173-I177 HydrophobicContact CD2-CD1 4.14Å; F173-I177 HydrophobicContact CD2-CG1 4.4Å; F173-I177 HydrophobicContact CE1-CD1 3.57Å; F173-I177 HydrophobicContact CE2-CD1 3.41Å; F173-I177 VanDerWaalsContact CE2-CD1 3.41Å; F173-I177 HydrophobicContact CE2-CG1 4.03Å; F173-I177 HydrophobicContact CZ-CD1 3.11Å; F173-I177 HydrophobicContact CZ-CG1 4.17Å; F173-I177 PolarHBondContact O-N 3.33Å; I177-M179 PolarHBondContact O-N 2.63Å; I177-M179 VanDerWaalsContact O-N 3.11Å; I177-C180 WeakPolarHBondContact O-CA 2.96Å; I177-C180 WeakPolarHBondContact O-CB 3.41Å; I177-C180 PolarHBondContact O-N 2.97Å; I177-V181 HydrophobicContact CG2-CG2 4.38Å; I177-V181 WeakPolarHBondContact O-CG2 3.11Å; I177-V181 PolarHBondContact O-N 2.68Å; I177-W244 HydrophobicContact CG2-CH2 3.92Å |
| 178 | S | 91.3 | Very high | 90.2 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 16% | 0.161 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.1 | -29.1 | 177.9 | -67.2 | 0 | 0 | 0 | 0 | 113 | Y174 S175 C176 C180 | Y174-S178 WeakPolarHBondContact CE1-OG 3.49Å; Y174-S178 VanDerWaalsContact O-CB 3.25Å; Y174-S178 WeakPolarHBondContact O-CB 3.31Å; Y174-S178 PolarHBondContact O-N 2.79Å; Y174-S178 PolarHBondContact O-OG 3.34Å; S175-S178 WeakPolarHBondContact O-CB 3.23Å; S175-S178 PolarHBondContact O-N 3.43Å; C176-S178 VanDerWaalsContact C-N 3.33Å; C176-S178 PolarHBondContact O-N 3.22Å; S178-C180 VanDerWaalsContact C-N 3.31Å |
| 179 | M | 91.4 | Very high | 90.9 | Very high | 155 Ų | 155 | 45.7 Ų | 45.7 | 76% | 0.764 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -70.4 | -26 | 175 | -64.1 | -62.3 | -72.6 | 0 | 0 | 113.1 | S175 C176 I177 | S175-M179 WeakPolarHBondContact O-CG 3.18Å; S175-M179 PolarHBondContact O-N 3.34Å; C176-M179 WeakPolarHBondContact O-CB 3.3Å; C176-M179 PolarHBondContact O-N 3.1Å; I177-M179 PolarHBondContact O-N 2.63Å; I177-M179 VanDerWaalsContact O-N 3.11Å |
| 180 | C | 92.5 | Very high | 91.2 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -91.5 | -15.5 | 178 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | M133 I177 S178 D183 V184 | M133-C180 HydrophobicContact CB-CB 4.43Å; M133-C180 HydrophobicContact CG-CB 3.6Å; I177-C180 WeakPolarHBondContact O-CA 2.96Å; I177-C180 WeakPolarHBondContact O-CB 3.41Å; I177-C180 PolarHBondContact O-N 2.97Å; S178-C180 VanDerWaalsContact C-N 3.31Å; C180-D183 PolarHBondContact O-N 2.83Å; C180-V184 PolarHBondContact O-N 3.42Å |
| 181 | V | 92.9 | Very high | 91.5 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.8 | -39 | -178.5 | 171.3 | 0 | 0 | 0 | 0 | 114.1 | I177 D183 V184 L185 W244 I245 L249 | I177-V181 HydrophobicContact CG2-CG2 4.38Å; I177-V181 WeakPolarHBondContact O-CG2 3.11Å; I177-V181 PolarHBondContact O-N 2.68Å; V181-D183 VanDerWaalsContact C-N 3.32Å; V181-D183 PolarHBondContact O-N 2.91Å; V181-V184 PolarHBondContact O-N 3.44Å; V181-L185 HydrophobicContact CG1-CD1 3.7Å; V181-L185 HydrophobicContact CG1-CG 4.02Å; V181-L185 WeakPolarHBondContact O-CB 3.31Å; V181-L185 WeakPolarHBondContact O-CG 3.38Å; V181-L185 PolarHBondContact O-N 2.87Å; V181-W244 HydrophobicContact CG2-CH2 3.6Å; V181-W244 HydrophobicContact CG2-CZ3 4.08Å; V181-I245 HydrophobicContact CG1-CB 4.36Å; V181-I245 HydrophobicContact CG1-CG2 3.67Å; V181-I245 HydrophobicContact CG2-CG2 4.39Å; V181-L249 HydrophobicContact CB-CD1 4.32Å; V181-L249 HydrophobicContact CG1-CD1 3.74Å |
| 182 | P | 93.5 | Very high | 91.8 | Very high | 56 Ų | 56 | 38.9 Ų | 38.9 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.8 | -43.1 | 178.1 | -26 | 35.3 | 0 | 0 | 0 | 113.3 | L185 D186 L249 | P182-L185 PolarHBondContact O-N 3.31Å; P182-D186 PolarHBondContact O-N 3.4Å; P182-L249 HydrophobicContact CG-CD1 4.31Å; P182-L249 HydrophobicContact CG-CD2 4.07Å |
| 183 | D | 92.9 | Very high | 91.9 | Very high | 102 Ų | 102 | 35.3 Ų | 35.3 | 55% | 0.545 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -69.8 | -37.9 | 178.7 | -61.7 | -32.4 | 0 | 0 | 0 | 111.4 | M137 C180 V181 D186 L187 | M137-D183 HydrophobicContact SD-CB 4Å; C180-D183 PolarHBondContact O-N 2.83Å; V181-D183 VanDerWaalsContact C-N 3.32Å; V181-D183 PolarHBondContact O-N 2.91Å; D183-D186 PolarHBondContact O-N 2.73Å; D183-L187 WeakPolarHBondContact O-CB 3.39Å; D183-L187 PolarHBondContact O-N 3.09Å |
| 184 | V | 94 | Very high | 91.8 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 174.6 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | M133 M137 L151 C180 V181 L187 V188 L241 | M133-V184 HydrophobicContact SD-CG2 4.2Å; M137-V184 HydrophobicContact CG-CG2 4.19Å; M137-V184 HydrophobicContact SD-CG2 4.01Å; L151-V184 HydrophobicContact CD1-CG1 4.44Å; L151-V184 HydrophobicContact CD2-CG1 4.47Å; L151-V184 HydrophobicContact CD2-CG2 4.45Å; C180-V184 PolarHBondContact O-N 3.42Å; V181-V184 PolarHBondContact O-N 3.44Å; V184-L187 PolarHBondContact O-N 2.91Å; V184-V188 HydrophobicContact CG1-CG2 4.32Å; V184-V188 WeakPolarHBondContact O-CB 3.44Å; V184-V188 VanDerWaalsContact O-CG2 3.25Å; V184-V188 WeakPolarHBondContact O-CG2 3.4Å; V184-V188 PolarHBondContact O-N 3.41Å; V184-L241 HydrophobicContact CG1-CD1 4.2Å |
| 185 | L | 92.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.6 | -39 | 178.4 | -77.5 | 172.7 | 0 | 0 | 0 | 112.4 | V181 P182 V188 T189 I245 L249 F254 | V181-L185 HydrophobicContact CG1-CD1 3.7Å; V181-L185 HydrophobicContact CG1-CG 4.02Å; V181-L185 WeakPolarHBondContact O-CB 3.31Å; V181-L185 WeakPolarHBondContact O-CG 3.38Å; V181-L185 PolarHBondContact O-N 2.87Å; P182-L185 PolarHBondContact O-N 3.31Å; L185-V188 PolarHBondContact O-N 3.28Å; L185-T189 VanDerWaalsContact O-CB 3.25Å; L185-T189 WeakPolarHBondContact O-CB 3.47Å; L185-T189 PolarHBondContact O-N 3.41Å; L185-T189 PolarHBondContact O-OG1 3.32Å; L185-I245 HydrophobicContact CD1-CD1 3.95Å; L185-I245 HydrophobicContact CD2-CD1 3.98Å; L185-L249 HydrophobicContact CD1-CB 3.47Å; L185-L249 VanDerWaalsContact CD1-CB 3.47Å; L185-L249 HydrophobicContact CD1-CD1 4.29Å; L185-F254 HydrophobicContact CD2-CE2 4.35Å |
| 186 | D | 92.3 | Very high | 91.6 | Very high | 83 Ų | 83 | 29.9 Ų | 29.9 | 44% | 0.444 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 173.3 | 177.1 | 63.5 | 0 | 0 | 0 | 111.2 | P182 D183 T189 K190 | P182-D186 PolarHBondContact O-N 3.4Å; D183-D186 PolarHBondContact O-N 2.73Å; D186-T189 PolarHBondContact O-N 3.16Å; D186-K190 WeakPolarHBondContact O-CG 3.21Å; D186-K190 PolarHBondContact O-N 3.37Å; D186-K190 VanDerWaalsContact O-N 3.09Å; D186-K190 IonicContact OD1-NZ 3.58Å; D186-K190 WeakPolarHBondContact OD2-CE 3.21Å; D186-K190 IonicContact OD2-NZ 3.2Å; D186-K190 PolarHBondContact OD2-NZ 3.42Å |
| 187 | L | 92.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 177.1 | -176.6 | 62.2 | 0 | 0 | 0 | 112 | M137 T140 K141 D183 V184 T189 K190 Y191 L217 | M137-L187 HydrophobicContact CB-CD2 4.3Å; M137-L187 HydrophobicContact CG-CD2 4.47Å; T140-L187 HydrophobicContact CG2-CD2 4.02Å; K141-L187 HydrophobicContact CG-CD1 4.12Å; K141-L187 HydrophobicContact CG-CD2 4.46Å; D183-L187 WeakPolarHBondContact O-CB 3.39Å; D183-L187 PolarHBondContact O-N 3.09Å; V184-L187 PolarHBondContact O-N 2.91Å; L187-T189 VanDerWaalsContact C-N 3.35Å; L187-T189 PolarHBondContact O-N 3.3Å; L187-K190 WeakPolarHBondContact O-CB 3.41Å; L187-K190 PolarHBondContact O-N 2.79Å; L187-Y191 HydrophobicContact CD1-CD2 4.22Å; L187-Y191 HydrophobicContact CD1-CE2 3.65Å; L187-Y191 HydrophobicContact CG-CD2 4.17Å; L187-Y191 HydrophobicContact CG-CE2 3.87Å; L187-Y191 WeakPolarHBondContact O-CD2 3.34Å; L187-Y191 PolarHBondContact O-N 3.04Å; L187-L217 HydrophobicContact CD1-CD1 4.07Å; L187-L217 HydrophobicContact CD1-CD2 4.18Å |
| 188 | V | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 179.1 | 166.5 | 0 | 0 | 0 | 0 | 111.4 | V184 L185 K190 Y191 L192 L234 V238 F254 | V184-V188 HydrophobicContact CG1-CG2 4.32Å; V184-V188 WeakPolarHBondContact O-CB 3.44Å; V184-V188 VanDerWaalsContact O-CG2 3.25Å; V184-V188 WeakPolarHBondContact O-CG2 3.4Å; V184-V188 PolarHBondContact O-N 3.41Å; L185-V188 PolarHBondContact O-N 3.28Å; V188-K190 VanDerWaalsContact C-N 3.33Å; V188-K190 PolarHBondContact O-N 3.32Å; V188-Y191 PolarHBondContact O-N 2.87Å; V188-L192 HydrophobicContact CG1-CD1 4.18Å; V188-L192 HydrophobicContact CG1-CG 4.44Å; V188-L192 WeakPolarHBondContact O-CG 3.45Å; V188-L192 PolarHBondContact O-N 3.15Å; V188-L234 HydrophobicContact CG1-CD1 4.12Å; V188-V238 HydrophobicContact CG1-CG2 3.35Å; V188-F254 HydrophobicContact CG1-CE2 4.41Å |
| 189 | T | 92.6 | Very high | 90.8 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 8% | 0.08 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | L185 D186 L187 Y191 L192 L193 F254 | L185-T189 VanDerWaalsContact O-CB 3.25Å; L185-T189 WeakPolarHBondContact O-CB 3.47Å; L185-T189 PolarHBondContact O-N 3.41Å; L185-T189 PolarHBondContact O-OG1 3.32Å; D186-T189 PolarHBondContact O-N 3.16Å; L187-T189 VanDerWaalsContact C-N 3.35Å; L187-T189 PolarHBondContact O-N 3.3Å; T189-Y191 PolarHBondContact O-N 3.28Å; T189-L192 PolarHBondContact O-N 3.03Å; T189-L193 WeakPolarHBondContact O-CG 3.33Å; T189-L193 PolarHBondContact O-N 3.01Å; T189-F254 HydrophobicContact CG2-CB 4.1Å |
| 190 | K | 90.8 | Very high | 90.5 | Very high | 44 Ų | 44 | 26.8 Ų | 26.8 | 19% | 0.191 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.4 | -72.9 | 165.8 | 179.4 | 166.3 | 0 | 112.2 | D186 L187 V188 L193 I194 L212 M213 L217 | D186-K190 WeakPolarHBondContact O-CG 3.21Å; D186-K190 PolarHBondContact O-N 3.37Å; D186-K190 VanDerWaalsContact O-N 3.09Å; D186-K190 IonicContact OD1-NZ 3.58Å; D186-K190 WeakPolarHBondContact OD2-CE 3.21Å; D186-K190 IonicContact OD2-NZ 3.2Å; D186-K190 PolarHBondContact OD2-NZ 3.42Å; L187-K190 WeakPolarHBondContact O-CB 3.41Å; L187-K190 PolarHBondContact O-N 2.79Å; V188-K190 VanDerWaalsContact C-N 3.33Å; V188-K190 PolarHBondContact O-N 3.32Å; K190-L193 PolarHBondContact O-N 3.42Å; K190-I194 WeakPolarHBondContact O-CG1 3.46Å; K190-I194 PolarHBondContact O-N 3.43Å; K190-I194 VanDerWaalsContact O-N 3.12Å; K190-L212 VanDerWaalsContact CE-O 3.24Å; K190-L212 WeakPolarHBondContact CE-O 3.36Å; K190-M213 HydrophobicContact CB-CE 3.86Å; K190-M213 HydrophobicContact CB-SD 4.16Å; K190-M213 HydrophobicContact CG-CE 4.37Å; K190-M213 HydrophobicContact CG-SD 4.43Å; K190-L217 HydrophobicContact CB-CD1 4.2Å; K190-L217 HydrophobicContact CD-CD1 4.23Å |
| 191 | Y | 91.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.2 | -34.8 | 175.3 | -75.9 | -66.6 | 0 | 0 | 0 | 113.4 | T140 F144 L187 V188 T189 I194 A195 L217 L221 | T140-Y191 HydrophobicContact CG2-CE2 3.86Å; T140-Y191 PolarHBondContact O-OH 3.23Å; F144-Y191 AromaticContact CD2-CD1 3.86Å; F144-Y191 HydrophobicContact CD2-CD1 3.86Å; F144-Y191 HydrophobicContact CD2-CD2 4.25Å; F144-Y191 AromaticContact CD2-CE1 3.57Å; F144-Y191 HydrophobicContact CD2-CE1 3.57Å; F144-Y191 AromaticContact CD2-CE2 3.98Å; F144-Y191 HydrophobicContact CD2-CE2 3.98Å; F144-Y191 HydrophobicContact CD2-CG 4.19Å; F144-Y191 AromaticContact CD2-CZ 3.63Å; F144-Y191 AromaticContact CE2-CD1 3.49Å; F144-Y191 HydrophobicContact CE2-CD1 3.49Å; F144-Y191 VanDerWaalsContact CE2-CD1 3.49Å; F144-Y191 AromaticContact CE2-CD2 3.74Å; F144-Y191 HydrophobicContact CE2-CD2 3.74Å; F144-Y191 AromaticContact CE2-CE1 3.72Å; F144-Y191 HydrophobicContact CE2-CE1 3.72Å; F144-Y191 AromaticContact CE2-CE2 3.95Å; F144-Y191 HydrophobicContact CE2-CE2 3.95Å; F144-Y191 AromaticContact CE2-CG 3.5Å; F144-Y191 HydrophobicContact CE2-CG 3.5Å; F144-Y191 AromaticContact CE2-CZ 3.94Å; F144-Y191 HydrophobicContact CZ-CD1 4.3Å; F144-Y191 HydrophobicContact CZ-CG 4.34Å; L187-Y191 HydrophobicContact CD1-CD2 4.22Å; L187-Y191 HydrophobicContact CD1-CE2 3.65Å; L187-Y191 HydrophobicContact CG-CD2 4.17Å; L187-Y191 HydrophobicContact CG-CE2 3.87Å; L187-Y191 WeakPolarHBondContact O-CD2 3.34Å; L187-Y191 PolarHBondContact O-N 3.04Å; V188-Y191 PolarHBondContact O-N 2.87Å; T189-Y191 PolarHBondContact O-N 3.28Å; Y191-I194 HydrophobicContact CD1-CD1 4.13Å; Y191-I194 PolarHBondContact O-N 3.13Å; Y191-A195 PolarHBondContact O-N 2.97Å; Y191-L217 HydrophobicContact CE1-CB 4.08Å; Y191-L221 HydrophobicContact CD1-CD2 4.39Å; Y191-L221 HydrophobicContact CE1-CD2 4.39Å |
| 192 | L | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 173 | -72.2 | 171 | 0 | 0 | 0 | 111.6 | V188 T189 I194 A195 V196 L234 L235 V238 F254 I258 L261 | V188-L192 HydrophobicContact CG1-CD1 4.18Å; V188-L192 HydrophobicContact CG1-CG 4.44Å; V188-L192 WeakPolarHBondContact O-CG 3.45Å; V188-L192 PolarHBondContact O-N 3.15Å; T189-L192 PolarHBondContact O-N 3.03Å; L192-I194 PolarHBondContact O-N 3.01Å; L192-A195 WeakPolarHBondContact O-CB 3.3Å; L192-A195 PolarHBondContact O-N 3.36Å; L192-V196 WeakPolarHBondContact O-CG2 3.34Å; L192-V196 PolarHBondContact O-N 3.48Å; L192-L234 HydrophobicContact CD2-CD2 3.87Å; L192-L234 HydrophobicContact CD2-CG 4.26Å; L192-L234 HydrophobicContact CG-CD2 4.21Å; L192-L235 HydrophobicContact CD2-CD2 3.88Å; L192-V238 HydrophobicContact CD1-CG2 4.28Å; L192-V238 HydrophobicContact CD2-CG2 4.44Å; L192-F254 HydrophobicContact CD1-CD2 3.53Å; L192-F254 HydrophobicContact CD1-CE2 3.6Å; L192-F254 HydrophobicContact CD1-CG 4.34Å; L192-F254 HydrophobicContact CD1-CZ 4.48Å; L192-I258 HydrophobicContact CD1-CD1 3.83Å; L192-I258 HydrophobicContact CD1-CG1 4.29Å; L192-I258 HydrophobicContact CD2-CD1 3.79Å; L192-I258 HydrophobicContact CG-CD1 4.46Å; L192-L261 HydrophobicContact CD2-CD1 3.99Å |
| 193 | L | 90.1 | Very high | 88.5 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 174.7 | -71.5 | 168.3 | 0 | 0 | 0 | 112 | T189 K190 A195 V196 C197 I208 S257 | T189-L193 WeakPolarHBondContact O-CG 3.33Å; T189-L193 PolarHBondContact O-N 3.01Å; K190-L193 PolarHBondContact O-N 3.42Å; L193-A195 VanDerWaalsContact C-N 3.32Å; L193-A195 PolarHBondContact O-N 3.24Å; L193-V196 PolarHBondContact O-N 2.91Å; L193-C197 PolarHBondContact O-N 3.39Å; L193-I208 HydrophobicContact CB-CD1 3.79Å; L193-S257 WeakPolarHBondContact CD2-OG 3.38Å |
| 194 | I | 87.7 | Confident | 87.7 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 173.4 | -65.4 | 165.6 | 0 | 0 | 0 | 110.7 | K190 Y191 L192 V196 C197 H198 I204 M213 L217 T218 L221 | K190-I194 WeakPolarHBondContact O-CG1 3.46Å; K190-I194 PolarHBondContact O-N 3.43Å; K190-I194 VanDerWaalsContact O-N 3.12Å; Y191-I194 HydrophobicContact CD1-CD1 4.13Å; Y191-I194 PolarHBondContact O-N 3.13Å; L192-I194 PolarHBondContact O-N 3.01Å; I194-V196 VanDerWaalsContact C-N 3.34Å; I194-V196 PolarHBondContact O-N 3.26Å; I194-C197 PolarHBondContact O-N 2.81Å; I194-H198 PolarHBondContact O-N 3.44Å; I194-I204 HydrophobicContact CG2-CD1 3.88Å; I194-M213 HydrophobicContact CD1-CE 3.59Å; I194-M213 HydrophobicContact CD1-SD 4.23Å; I194-M213 HydrophobicContact CG1-CE 4.11Å; I194-M213 HydrophobicContact CG1-SD 4.07Å; I194-L217 HydrophobicContact CD1-CB 4.44Å; I194-T218 HydrophobicContact CD1-CG2 4.01Å; I194-T218 HydrophobicContact CG1-CG2 4.46Å; I194-L221 HydrophobicContact CD1-CD1 4.41Å; I194-L221 HydrophobicContact CG2-CD1 3.68Å |
| 195 | A | 88 | Confident | 86.5 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y191 L192 L193 H198 I199 I231 L261 | Y191-A195 PolarHBondContact O-N 2.97Å; L192-A195 WeakPolarHBondContact O-CB 3.3Å; L192-A195 PolarHBondContact O-N 3.36Å; L193-A195 VanDerWaalsContact C-N 3.32Å; L193-A195 PolarHBondContact O-N 3.24Å; A195-H198 PolarHBondContact O-N 3.06Å; A195-I199 WeakPolarHBondContact O-CB 3.46Å; A195-I199 WeakPolarHBondContact O-CD1 3.25Å; A195-I199 WeakPolarHBondContact O-CG1 3.29Å; A195-I199 PolarHBondContact O-N 3.42Å; A195-I231 HydrophobicContact CB-CD1 3.89Å; A195-I231 HydrophobicContact CB-CG1 3.87Å; A195-I231 HydrophobicContact CB-CG2 4.13Å; A195-L261 HydrophobicContact CB-CD1 4.42Å |
| 196 | V | 89 | Confident | 85.2 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L192 L193 I194 N200 D260 L261 | L192-V196 WeakPolarHBondContact O-CG2 3.34Å; L192-V196 PolarHBondContact O-N 3.48Å; L193-V196 PolarHBondContact O-N 2.91Å; I194-V196 VanDerWaalsContact C-N 3.34Å; I194-V196 PolarHBondContact O-N 3.26Å; V196-N200 WeakPolarHBondContact CG1-ND2 3.46Å; V196-N200 VanDerWaalsContact O-CB 3.31Å; V196-N200 WeakPolarHBondContact O-CB 3.2Å; V196-N200 PolarHBondContact O-N 2.88Å; V196-N200 PolarHBondContact O-ND2 2.89Å; V196-D260 HydrophobicContact CG1-CB 4.42Å; V196-D260 HydrophobicContact CG2-CB 4.4Å; V196-L261 HydrophobicContact CG2-CD1 4.24Å; V196-L261 HydrophobicContact CG2-CD2 3.98Å; V196-L261 HydrophobicContact CG2-CG 3.78Å |
| 197 | C | 86.9 | Confident | 84.2 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.9 | -76.2 | 0 | 0 | 0 | 0 | 111.8 | L193 I194 N200 G201 K202 I204 | L193-C197 PolarHBondContact O-N 3.39Å; I194-C197 PolarHBondContact O-N 2.81Å; C197-N200 PolarHBondContact O-N 3.5Å; C197-G201 PolarHBondContact O-N 2.94Å; C197-G201 VanDerWaalsContact O-N 3.09Å; C197-K202 PolarHBondContact O-N 3.31Å; C197-I204 HydrophobicContact CB-CG1 3.9Å |
| 198 | H | 84.9 | Confident | 83.4 | Confident | 66 Ų | 66 | 45.3 Ų | 45.3 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | -180 | 177.6 | -88.7 | 0 | 0 | 0 | 112.2 | I194 A195 N200 G201 L227 | I194-H198 PolarHBondContact O-N 3.44Å; A195-H198 PolarHBondContact O-N 3.06Å; H198-N200 VanDerWaalsContact C-N 3.3Å; H198-N200 PolarHBondContact O-N 3.45Å; H198-G201 PolarHBondContact O-N 3.17Å; H198-G201 VanDerWaalsContact O-N 3.11Å; H198-L227 HydrophobicContact CB-CD2 3.87Å; H198-L227 WeakPolarHBondContact CD2-CD2 3.48Å; H198-L227 VanDerWaalsContact CE1-CD2 3.44Å; H198-L227 WeakPolarHBondContact CE1-CD2 3.27Å; H198-L227 VanDerWaalsContact ND1-CD2 3.31Å; H198-L227 WeakPolarHBondContact ND1-CD2 3.23Å; H198-L227 WeakPolarHBondContact NE2-CD2 3.33Å |
| 199 | I | 85.2 | Confident | 82.3 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -33.2 | -178.1 | -72.9 | 161.5 | 0 | 0 | 0 | 112 | A195 G201 I231 L261 R265 I271 | A195-I199 WeakPolarHBondContact O-CB 3.46Å; A195-I199 WeakPolarHBondContact O-CD1 3.25Å; A195-I199 WeakPolarHBondContact O-CG1 3.29Å; A195-I199 PolarHBondContact O-N 3.42Å; I199-G201 VanDerWaalsContact C-N 3.3Å; I199-I231 HydrophobicContact CD1-CD1 4.1Å; I199-I231 HydrophobicContact CG1-CD1 4.43Å; I199-L261 HydrophobicContact CD1-CD2 3.27Å; I199-L261 HydrophobicContact CG1-CD2 4.47Å; I199-R265 VanDerWaalsContact CG2-CD 3.48Å; I199-I271 HydrophobicContact CD1-CD1 3.92Å; I199-I271 HydrophobicContact CD1-CG2 3.75Å; I199-I271 HydrophobicContact CG1-CD1 4.43Å |
| 200 | N | 85.3 | Confident | 81 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.4 | 176.5 | -68.9 | -42.4 | 0 | 0 | 0 | 113.6 | V196 C197 H198 K202 D260 R265 | V196-N200 WeakPolarHBondContact CG1-ND2 3.46Å; V196-N200 VanDerWaalsContact O-CB 3.31Å; V196-N200 WeakPolarHBondContact O-CB 3.2Å; V196-N200 PolarHBondContact O-N 2.88Å; V196-N200 PolarHBondContact O-ND2 2.89Å; C197-N200 PolarHBondContact O-N 3.5Å; H198-N200 VanDerWaalsContact C-N 3.3Å; H198-N200 PolarHBondContact O-N 3.45Å; N200-K202 HydrophobicContact CB-CD 4.24Å; N200-K202 HydrophobicContact CB-CG 4.11Å; N200-K202 PolarHBondContact O-N 3.26Å; N200-D260 PolarHBondContact ND2-OD2 3.12Å; N200-R265 PolarHBondContact OD1-NH2 3.09Å |
| 201 | G | 79.7 | Confident | 79.8 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 75% | 0.753 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 28.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C197 H198 I199 | C197-G201 PolarHBondContact O-N 2.94Å; C197-G201 VanDerWaalsContact O-N 3.09Å; H198-G201 PolarHBondContact O-N 3.17Å; H198-G201 VanDerWaalsContact O-N 3.11Å; I199-G201 VanDerWaalsContact C-N 3.3Å |
| 202 | K | 82.2 | Confident | 78.7 | Confident | 116 Ų | 116 | 60.3 Ų | 60.3 | 50% | 0.504 | 34% | 0.343 | S | S | . | . | trans | -100.4 | 142 | -179.1 | -65.2 | -178.5 | -179.4 | 172.5 | 0 | 110.7 | C197 N200 I204 T207 | C197-K202 PolarHBondContact O-N 3.31Å; N200-K202 HydrophobicContact CB-CD 4.24Å; N200-K202 HydrophobicContact CB-CG 4.11Å; N200-K202 PolarHBondContact O-N 3.26Å; K202-I204 PolarHBondContact O-N 2.93Å; K202-T207 HydrophobicContact CD-CG2 4.11Å | ||
| 203 | D | 74.9 | Confident | 77.9 | Confident | 119 Ų | 119 | 60.9 Ų | 60.9 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | trans | -66.4 | 126.6 | 175.8 | -73.2 | -34.6 | 0 | 0 | 0 | 111.3 | Q205 T206 T207 | D203-Q205 VanDerWaalsContact C-N 3.3Å; D203-Q205 PolarHBondContact O-N 3.49Å; D203-T206 HydrophobicContact CB-CG2 4.23Å; D203-T206 WeakPolarHBondContact CB-OG1 3.21Å; D203-T206 PolarHBondContact O-N 3.48Å; D203-T206 PolarHBondContact O-OG1 3.12Å; D203-T206 VanDerWaalsContact O-OG1 3.1Å; D203-T207 WeakPolarHBondContact O-CB 3.3Å; D203-T207 PolarHBondContact O-N 2.85Å; D203-T207 VanDerWaalsContact O-N 3.14Å; D203-T207 PolarHBondContact O-OG1 3.02Å | ||
| 204 | I | 76.3 | Confident | 77.3 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 22% | 0.221 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | -177.4 | -60.2 | 168.2 | 0 | 0 | 0 | 110.7 | I194 C197 K202 T206 I208 F215 T218 | I194-I204 HydrophobicContact CG2-CD1 3.88Å; C197-I204 HydrophobicContact CB-CG1 3.9Å; K202-I204 PolarHBondContact O-N 2.93Å; I204-T206 VanDerWaalsContact C-N 3.31Å; I204-T206 PolarHBondContact O-N 3.47Å; I204-I208 HydrophobicContact CG2-CD1 4.07Å; I204-I208 PolarHBondContact O-N 3.36Å; I204-F215 HydrophobicContact CG2-CD1 4.46Å; I204-F215 HydrophobicContact CG2-CE1 4.19Å; I204-T218 HydrophobicContact CD1-CG2 3.87Å; I204-T218 HydrophobicContact CG2-CG2 4.49Å |
| 205 | Q | 68.4 | Low | 76.6 | Confident | 150 Ų | 150 | 66.1 Ų | 66.1 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.9 | -22.1 | -176 | -65.8 | -178.7 | -1.9 | 0 | 0 | 114 | D203 F215 | D203-Q205 VanDerWaalsContact C-N 3.3Å; D203-Q205 PolarHBondContact O-N 3.49Å; Q205-F215 HydrophobicContact CB-CE1 4.32Å; Q205-F215 HydrophobicContact CG-CD1 4.13Å; Q205-F215 HydrophobicContact CG-CE1 3.81Å; Q205-F215 HydrophobicContact CG-CZ 4.46Å |
| 206 | T | 66.4 | Low | 75.9 | Confident | 111 Ų | 111 | 69 Ų | 69 | 68% | 0.681 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -99.5 | -23.5 | -179.2 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | D203 I204 | D203-T206 HydrophobicContact CB-CG2 4.23Å; D203-T206 WeakPolarHBondContact CB-OG1 3.21Å; D203-T206 PolarHBondContact O-N 3.48Å; D203-T206 PolarHBondContact O-OG1 3.12Å; D203-T206 VanDerWaalsContact O-OG1 3.1Å; I204-T206 VanDerWaalsContact C-N 3.31Å; I204-T206 PolarHBondContact O-N 3.47Å |
| 207 | T | 71 | Confident | 75.5 | Confident | 64 Ų | 64 | 68.1 Ų | 68.1 | 39% | 0.393 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -94.7 | -31.6 | -171.7 | -48 | 0 | 0 | 0 | 0 | 113 | K202 D203 | K202-T207 HydrophobicContact CD-CG2 4.11Å; D203-T207 WeakPolarHBondContact O-CB 3.3Å; D203-T207 PolarHBondContact O-N 2.85Å; D203-T207 VanDerWaalsContact O-N 3.14Å; D203-T207 PolarHBondContact O-OG1 3.02Å |
| 208 | I | 74.9 | Confident | 75 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 6% | 0.062 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -108 | 128.8 | -176.6 | -51.9 | 170.7 | 0 | 0 | 0 | 109.8 | L193 I204 N210 L212 M213 | L193-I208 HydrophobicContact CB-CD1 3.79Å; I204-I208 HydrophobicContact CG2-CD1 4.07Å; I204-I208 PolarHBondContact O-N 3.36Å; I208-N210 PolarHBondContact O-N 3.45Å; I208-L212 HydrophobicContact CG2-CB 4.41Å; I208-M213 HydrophobicContact CB-CB 4.48Å; I208-M213 HydrophobicContact CD1-SD 4.26Å; I208-M213 HydrophobicContact CG2-CB 3.83Å; I208-M213 HydrophobicContact CG2-CG 4.4Å |
| 209 | P | 71.5 | Confident | 74.6 | Confident | 68 Ų | 68 | 72.2 Ų | 72.2 | 44% | 0.442 | 42% | 0.42 | S | S | . | . | trans | -56.8 | 133.7 | 175.2 | -25 | 33.5 | 0 | 0 | 0 | 112.6 | T211 L212 M213 | P209-T211 PolarHBondContact O-N 3.44Å; P209-L212 HydrophobicContact CB-CD1 4.24Å; P209-L212 HydrophobicContact CB-CG 4.43Å; P209-L212 HydrophobicContact CG-CD1 4.01Å; P209-L212 PolarHBondContact O-N 2.94Å; P209-M213 PolarHBondContact O-N 2.9Å | ||
| 210 | N | 64 | Low | 74 | Confident | 117 Ų | 117 | 72.3 Ų | 72.3 | 63% | 0.626 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -20.3 | 178 | -67.3 | -9.2 | 0 | 0 | 0 | 113.9 | I208 L212 F215 | I208-N210 PolarHBondContact O-N 3.45Å; N210-L212 VanDerWaalsContact C-N 3.31Å; N210-F215 HydrophobicContact CB-CE2 4.37Å; N210-F215 VanDerWaalsContact OD1-CE2 3.23Å; N210-F215 WeakPolarHBondContact OD1-CE2 3.39Å; N210-F215 VanDerWaalsContact OD1-CZ 3.25Å; N210-F215 WeakPolarHBondContact OD1-CZ 3.32Å |
| 211 | T | 65.8 | Low | 73.6 | Confident | 132 Ų | 132 | 71.3 Ų | 71.3 | 81% | 0.81 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -19.5 | 176.1 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | P209 | P209-T211 PolarHBondContact O-N 3.44Š|
| 212 | L | 69.7 | Low | 73.3 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 32% | 0.319 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -18.8 | -176 | -66.3 | 173.2 | 0 | 0 | 0 | 112.9 | K190 I208 P209 N210 Y253 | K190-L212 VanDerWaalsContact CE-O 3.24Å; K190-L212 WeakPolarHBondContact CE-O 3.36Å; I208-L212 HydrophobicContact CG2-CB 4.41Å; P209-L212 HydrophobicContact CB-CD1 4.24Å; P209-L212 HydrophobicContact CB-CG 4.43Å; P209-L212 HydrophobicContact CG-CD1 4.01Å; P209-L212 PolarHBondContact O-N 2.94Å; N210-L212 VanDerWaalsContact C-N 3.31Å; L212-Y253 HydrophobicContact CD1-CE1 4.3Å; L212-Y253 HydrophobicContact CD1-CE2 3.98Å |
| 213 | M | 75.3 | Confident | 72.6 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 5% | 0.054 | 40% | 0.402 | C | S | . | . | trans | -121.1 | 130.4 | -169.6 | -163.8 | 65.2 | -121.1 | 0 | 0 | 112.3 | K190 I194 I208 P209 F215 L217 | K190-M213 HydrophobicContact CB-CE 3.86Å; K190-M213 HydrophobicContact CB-SD 4.16Å; K190-M213 HydrophobicContact CG-CE 4.37Å; K190-M213 HydrophobicContact CG-SD 4.43Å; I194-M213 HydrophobicContact CD1-CE 3.59Å; I194-M213 HydrophobicContact CD1-SD 4.23Å; I194-M213 HydrophobicContact CG1-CE 4.11Å; I194-M213 HydrophobicContact CG1-SD 4.07Å; I208-M213 HydrophobicContact CB-CB 4.48Å; I208-M213 HydrophobicContact CD1-SD 4.26Å; I208-M213 HydrophobicContact CG2-CB 3.83Å; I208-M213 HydrophobicContact CG2-CG 4.4Å; P209-M213 PolarHBondContact O-N 2.9Å; M213-F215 HydrophobicContact CB-CZ 4.45Å; M213-F215 HydrophobicContact CG-CD1 4.38Å; M213-F215 HydrophobicContact CG-CE1 4.26Å; M213-L217 HydrophobicContact CE-CB 4.13Å; M213-L217 HydrophobicContact CE-CD1 3.66Å; M213-L217 HydrophobicContact CE-CG 4.32Å | ||
| 214 | D | 77.3 | Confident | 72.1 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 45% | 0.449 | 40% | 0.403 | S | S | . | . | trans | -93.4 | 106.8 | 163.9 | -175.5 | -9.4 | 0 | 0 | 0 | 109.2 | S216 L217 | D214-S216 PolarHBondContact O-N 3.49Å; D214-S216 VanDerWaalsContact O-N 3.17Å; D214-S216 VanDerWaalsContact OD1-CB 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.49Å; D214-S216 PolarHBondContact OD1-N 2.82Å; D214-S216 PolarHBondContact OD1-OG 2.98Å; D214-S216 PolarHBondContact OD2-OG 3.41Å; D214-S216 VanDerWaalsContact OD2-OG 3.13Å; D214-L217 HydrophobicContact CB-CD1 4.32Å; D214-L217 HydrophobicContact CB-CG 4.27Å; D214-L217 WeakPolarHBondContact O-CB 3.32Å; D214-L217 WeakPolarHBondContact O-CG 3.32Å; D214-L217 PolarHBondContact O-N 3.33Å; D214-L217 VanDerWaalsContact O-N 3.17Å | ||
| 215 | F | 73.1 | Confident | 71.5 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 26% | 0.263 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -68 | -10.3 | -177.3 | -64.8 | -75.1 | 0 | 0 | 0 | 113.6 | I204 Q205 N210 M213 L217 T218 | I204-F215 HydrophobicContact CG2-CD1 4.46Å; I204-F215 HydrophobicContact CG2-CE1 4.19Å; Q205-F215 HydrophobicContact CB-CE1 4.32Å; Q205-F215 HydrophobicContact CG-CD1 4.13Å; Q205-F215 HydrophobicContact CG-CE1 3.81Å; Q205-F215 HydrophobicContact CG-CZ 4.46Å; N210-F215 HydrophobicContact CB-CE2 4.37Å; N210-F215 VanDerWaalsContact OD1-CE2 3.23Å; N210-F215 WeakPolarHBondContact OD1-CE2 3.39Å; N210-F215 VanDerWaalsContact OD1-CZ 3.25Å; N210-F215 WeakPolarHBondContact OD1-CZ 3.32Å; M213-F215 HydrophobicContact CB-CZ 4.45Å; M213-F215 HydrophobicContact CG-CD1 4.38Å; M213-F215 HydrophobicContact CG-CE1 4.26Å; F215-L217 PolarHBondContact O-N 3.43Å; F215-T218 PolarHBondContact O-N 3.18Å; F215-T218 PolarHBondContact O-OG1 3.17Å |
| 216 | S | 73.4 | Confident | 71.6 | Confident | 63 Ų | 63 | 72.9 Ų | 72.9 | 44% | 0.441 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -63.7 | -28 | 171.5 | 67.3 | 0 | 0 | 0 | 0 | 112 | D214 T218 S219 | D214-S216 PolarHBondContact O-N 3.49Å; D214-S216 VanDerWaalsContact O-N 3.17Å; D214-S216 VanDerWaalsContact OD1-CB 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.49Å; D214-S216 PolarHBondContact OD1-N 2.82Å; D214-S216 PolarHBondContact OD1-OG 2.98Å; D214-S216 PolarHBondContact OD2-OG 3.41Å; D214-S216 VanDerWaalsContact OD2-OG 3.13Å; S216-T218 PolarHBondContact O-N 3.49Å; S216-S219 WeakPolarHBondContact O-CB 3.26Å; S216-S219 PolarHBondContact O-N 3.39Å; S216-S219 VanDerWaalsContact O-N 3.15Å; S216-S219 PolarHBondContact O-OG 3.32Å |
| 217 | L | 79.1 | Confident | 72.2 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -65.3 | -23.5 | -177.4 | -61.4 | 179.8 | 0 | 0 | 0 | 113.7 | K141 L187 K190 Y191 I194 M213 D214 F215 S219 | K141-L217 HydrophobicContact CB-CD2 4.14Å; K141-L217 HydrophobicContact CD-CD2 4.38Å; K141-L217 HydrophobicContact CG-CD2 3.72Å; L187-L217 HydrophobicContact CD1-CD1 4.07Å; L187-L217 HydrophobicContact CD1-CD2 4.18Å; K190-L217 HydrophobicContact CB-CD1 4.2Å; K190-L217 HydrophobicContact CD-CD1 4.23Å; Y191-L217 HydrophobicContact CE1-CB 4.08Å; I194-L217 HydrophobicContact CD1-CB 4.44Å; M213-L217 HydrophobicContact CE-CB 4.13Å; M213-L217 HydrophobicContact CE-CD1 3.66Å; M213-L217 HydrophobicContact CE-CG 4.32Å; D214-L217 HydrophobicContact CB-CD1 4.32Å; D214-L217 HydrophobicContact CB-CG 4.27Å; D214-L217 WeakPolarHBondContact O-CB 3.32Å; D214-L217 WeakPolarHBondContact O-CG 3.32Å; D214-L217 PolarHBondContact O-N 3.33Å; D214-L217 VanDerWaalsContact O-N 3.17Å; F215-L217 PolarHBondContact O-N 3.43Å; L217-S219 PolarHBondContact O-N 2.9Å |
| 218 | T | 77.4 | Confident | 72.6 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -71.8 | -22.1 | 178.6 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | I194 I204 F215 S216 A220 L221 | I194-T218 HydrophobicContact CD1-CG2 4.01Å; I194-T218 HydrophobicContact CG1-CG2 4.46Å; I204-T218 HydrophobicContact CD1-CG2 3.87Å; I204-T218 HydrophobicContact CG2-CG2 4.49Å; F215-T218 PolarHBondContact O-N 3.18Å; F215-T218 PolarHBondContact O-OG1 3.17Å; S216-T218 PolarHBondContact O-N 3.49Å; T218-A220 VanDerWaalsContact C-N 3.29Å; T218-A220 PolarHBondContact O-N 2.92Å; T218-L221 PolarHBondContact O-N 3.26Å |
| 219 | S | 76 | Confident | 73 | Confident | 105 Ų | 105 | 69.4 Ų | 69.4 | 73% | 0.734 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -71.5 | -22.9 | -178.9 | 68.4 | 0 | 0 | 0 | 0 | 113.7 | S216 L217 | S216-S219 WeakPolarHBondContact O-CB 3.26Å; S216-S219 PolarHBondContact O-N 3.39Å; S216-S219 VanDerWaalsContact O-N 3.15Å; S216-S219 PolarHBondContact O-OG 3.32Å; L217-S219 PolarHBondContact O-N 2.9Å |
| 220 | A | 72.8 | Confident | 73.7 | Confident | 18 Ų | 18 | 66.2 Ų | 66.2 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -89.8 | -6.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K141 T218 | K141-A220 WeakPolarHBondContact O-CB 3.46Å; T218-A220 VanDerWaalsContact C-N 3.29Å; T218-A220 PolarHBondContact O-N 2.92Å |
| 221 | L | 77.6 | Confident | 74.9 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -78.3 | 141.1 | 176 | -70.9 | 165.8 | 0 | 0 | 0 | 110 | F144 Y191 I194 T218 L227 | F144-L221 HydrophobicContact CD1-CD2 3.92Å; F144-L221 HydrophobicContact CD2-CD2 4.34Å; F144-L221 HydrophobicContact CE1-CD2 4.15Å; F144-L221 HydrophobicContact CG-CD2 4Å; F144-L221 HydrophobicContact CZ-CD2 4.43Å; Y191-L221 HydrophobicContact CD1-CD2 4.39Å; Y191-L221 HydrophobicContact CE1-CD2 4.39Å; I194-L221 HydrophobicContact CD1-CD1 4.41Å; I194-L221 HydrophobicContact CG2-CD1 3.68Å; T218-L221 PolarHBondContact O-N 3.26Å; L221-L227 HydrophobicContact CB-CD1 3.8Å; L221-L227 HydrophobicContact CD1-CD1 4.26Å; L221-L227 HydrophobicContact CD2-CD1 4.14Å; L221-L227 HydrophobicContact CG-CD1 4.29Å |
| 222 | P | 71.7 | Confident | 76.1 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 165.3 | 178.1 | 32.9 | -35.8 | 0 | 0 | 0 | 111.4 | Q226 S230 | P222-Q226 HydrophobicContact CB-CB 3.88Å; P222-Q226 HydrophobicContact CG-CB 3.96Å; P222-S230 WeakPolarHBondContact CG-OG 3.39Å |
| 223 | N | 68.9 | Low | 77.1 | Confident | 142 Ų | 142 | 55.8 Ų | 55.8 | 76% | 0.759 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 152.8 | 177.5 | -61.4 | -10 | 0 | 0 | 0 | 112.3 | N225 Q226 L227 | N223-N225 PolarHBondContact O-N 2.63Å; N223-Q226 PolarHBondContact O-N 3.31Å; N223-L227 PolarHBondContact O-N 3.46Å |
| 224 | D | 64 | Low | 78 | Confident | 122 Ų | 122 | 55.4 Ų | 55.4 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -42.7 | -40.1 | -173.3 | -64.4 | -13.7 | 0 | 0 | 0 | 115 | Q226 L227 | D224-Q226 VanDerWaalsContact C-N 3.27Å; D224-Q226 PolarHBondContact O-N 3.35Å; D224-L227 PolarHBondContact O-N 2.92Å |
| 225 | N | 63 | Low | 78.8 | Confident | 154 Ų | 154 | 51.4 Ų | 51.4 | 82% | 0.824 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.2 | -24.1 | 179.8 | -69.1 | -14.6 | 0 | 0 | 0 | 114.7 | N223 | N223-N225 PolarHBondContact O-N 2.63Å |
| 226 | Q | 70.3 | Confident | 79.8 | Confident | 88 Ų | 88 | 49.4 Ų | 49.4 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -107.5 | -2.8 | 178.4 | -67 | -175.1 | -1.1 | 0 | 0 | 112.6 | P222 N223 D224 S228 S229 S230 | P222-Q226 HydrophobicContact CB-CB 3.88Å; P222-Q226 HydrophobicContact CG-CB 3.96Å; N223-Q226 PolarHBondContact O-N 3.31Å; D224-Q226 VanDerWaalsContact C-N 3.27Å; D224-Q226 PolarHBondContact O-N 3.35Å; Q226-S228 VanDerWaalsContact C-N 3.35Å; Q226-S229 PolarHBondContact O-OG 3.27Å; Q226-S230 PolarHBondContact O-N 2.99Å; Q226-S230 PolarHBondContact O-OG 3.48Å |
| 227 | L | 79.4 | Confident | 80.9 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -37.8 | -178.8 | -160.6 | 101.6 | 0 | 0 | 0 | 111.2 | H198 L221 N223 D224 S229 S230 I231 | H198-L227 HydrophobicContact CB-CD2 3.87Å; H198-L227 WeakPolarHBondContact CD2-CD2 3.48Å; H198-L227 VanDerWaalsContact CE1-CD2 3.44Å; H198-L227 WeakPolarHBondContact CE1-CD2 3.27Å; H198-L227 VanDerWaalsContact ND1-CD2 3.31Å; H198-L227 WeakPolarHBondContact ND1-CD2 3.23Å; H198-L227 WeakPolarHBondContact NE2-CD2 3.33Å; L221-L227 HydrophobicContact CB-CD1 3.8Å; L221-L227 HydrophobicContact CD1-CD1 4.26Å; L221-L227 HydrophobicContact CD2-CD1 4.14Å; L221-L227 HydrophobicContact CG-CD1 4.29Å; N223-L227 PolarHBondContact O-N 3.46Å; D224-L227 PolarHBondContact O-N 2.92Å; L227-S229 PolarHBondContact O-N 2.89Å; L227-S230 WeakPolarHBondContact O-CB 3.27Å; L227-S230 PolarHBondContact O-N 3.42Å; L227-S230 VanDerWaalsContact O-N 3.14Å; L227-I231 HydrophobicContact CD2-CD1 3.83Å; L227-I231 HydrophobicContact CG-CD1 4.32Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 2.87Å |
| 228 | S | 80.6 | Confident | 81.7 | Confident | 49 Ų | 49 | 46.3 Ų | 46.3 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 177.6 | 58 | 0 | 0 | 0 | 0 | 112.7 | Q226 S230 I231 L232 | Q226-S228 VanDerWaalsContact C-N 3.35Å; S228-S230 VanDerWaalsContact C-N 3.29Å; S228-S230 PolarHBondContact O-N 3.39Å; S228-I231 PolarHBondContact O-N 3.2Å; S228-L232 WeakPolarHBondContact O-CG 3.38Å; S228-L232 PolarHBondContact O-N 3.22Å; S228-L232 VanDerWaalsContact O-N 3.12Å |
| 229 | S | 83.3 | Confident | 82.5 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.2 | -33.3 | 175.6 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | Q226 L227 L232 D233 | Q226-S229 PolarHBondContact O-OG 3.27Å; L227-S229 PolarHBondContact O-N 2.89Å; S229-L232 WeakPolarHBondContact O-CB 3.41Å; S229-L232 PolarHBondContact O-N 3.35Å; S229-D233 PolarHBondContact O-N 2.72Å |
| 230 | S | 85.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.1 | -37.7 | 176.8 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | Q145 P222 Q226 L227 S228 L232 D233 L234 | Q145-S230 WeakPolarHBondContact CG-OG 3.36Å; Q145-S230 PolarHBondContact NE2-OG 3.37Å; P222-S230 WeakPolarHBondContact CG-OG 3.39Å; Q226-S230 PolarHBondContact O-N 2.99Å; Q226-S230 PolarHBondContact O-OG 3.48Å; L227-S230 WeakPolarHBondContact O-CB 3.27Å; L227-S230 PolarHBondContact O-N 3.42Å; L227-S230 VanDerWaalsContact O-N 3.14Å; S228-S230 VanDerWaalsContact C-N 3.29Å; S228-S230 PolarHBondContact O-N 3.39Å; S230-L232 VanDerWaalsContact C-N 3.32Å; S230-D233 PolarHBondContact O-N 3.44Å; S230-L234 PolarHBondContact O-N 3.11Å |
| 231 | I | 90.1 | Very high | 84.2 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 5% | 0.046 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -36.6 | 172.6 | -66.4 | 166.2 | 0 | 0 | 0 | 110.8 | A195 I199 L227 S228 L234 L235 I271 | A195-I231 HydrophobicContact CB-CD1 3.89Å; A195-I231 HydrophobicContact CB-CG1 3.87Å; A195-I231 HydrophobicContact CB-CG2 4.13Å; I199-I231 HydrophobicContact CD1-CD1 4.1Å; I199-I231 HydrophobicContact CG1-CD1 4.43Å; L227-I231 HydrophobicContact CD2-CD1 3.83Å; L227-I231 HydrophobicContact CG-CD1 4.32Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 2.87Å; S228-I231 PolarHBondContact O-N 3.2Å; I231-L234 WeakPolarHBondContact O-CB 3.41Å; I231-L234 PolarHBondContact O-N 2.77Å; I231-L235 HydrophobicContact CG2-CD1 4.1Å; I231-L235 HydrophobicContact CG2-CG 4.43Å; I231-L235 WeakPolarHBondContact O-CG 3.32Å; I231-L235 PolarHBondContact O-N 3.31Å; I231-I271 HydrophobicContact CB-CD1 4.32Å; I231-I271 HydrophobicContact CD1-CD1 4.38Å; I231-I271 HydrophobicContact CG2-CD1 4.12Å; I231-I271 HydrophobicContact CG2-CG1 4.34Å; I231-I271 HydrophobicContact CG2-CG2 3.84Å |
| 232 | L | 90.9 | Very high | 84.9 | Confident | 54 Ų | 54 | 41.9 Ų | 41.9 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 174.6 | -67.1 | 174.2 | 0 | 0 | 0 | 112.2 | S228 S229 S230 L234 L235 G236 P270 I271 A274 | S228-L232 WeakPolarHBondContact O-CG 3.38Å; S228-L232 PolarHBondContact O-N 3.22Å; S228-L232 VanDerWaalsContact O-N 3.12Å; S229-L232 WeakPolarHBondContact O-CB 3.41Å; S229-L232 PolarHBondContact O-N 3.35Å; S230-L232 VanDerWaalsContact C-N 3.32Å; L232-L234 VanDerWaalsContact C-N 3.28Å; L232-L234 PolarHBondContact O-N 2.93Å; L232-L235 PolarHBondContact O-N 3.32Å; L232-G236 PolarHBondContact O-N 3.29Å; L232-P270 HydrophobicContact CD1-CB 4.12Å; L232-P270 HydrophobicContact CD1-CG 4.45Å; L232-P270 HydrophobicContact CD2-CB 4.05Å; L232-P270 VanDerWaalsContact CD2-O 3.28Å; L232-P270 WeakPolarHBondContact CD2-O 3.49Å; L232-I271 HydrophobicContact CD2-CB 4.46Å; L232-I271 HydrophobicContact CD2-CG1 3.92Å; L232-I271 HydrophobicContact CG-CG1 4.3Å; L232-A274 HydrophobicContact CD2-CB 3.97Å |
| 233 | D | 89.3 | Confident | 85.8 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -37 | 175.3 | -77.5 | -9.9 | 0 | 0 | 0 | 110.8 | K107 R110 I148 S229 S230 G236 C237 | K107-D233 IonicContact NZ-OD1 3.56Å; R110-D233 IonicContact CZ-OD2 2.65Å; R110-D233 IonicContact NH1-OD2 3.26Å; R110-D233 PolarHBondContact NH1-OD2 3.45Å; R110-D233 IonicContact NH2-OD1 2.87Å; R110-D233 IonicContact NH2-OD2 3.15Å; R110-D233 PolarHBondContact NH2-OD2 3.11Å; R110-D233 VanDerWaalsContact NH2-OD2 3.15Å; I148-D233 HydrophobicContact CG2-CB 4.24Å; I148-D233 WeakPolarHBondContact CG2-O 3.41Å; S229-D233 PolarHBondContact O-N 2.72Å; S230-D233 PolarHBondContact O-N 3.44Å; D233-G236 PolarHBondContact O-N 3.03Å; D233-C237 WeakPolarHBondContact O-CB 3.49Å; D233-C237 PolarHBondContact O-N 2.91Å |
| 234 | L | 94.3 | Very high | 86.8 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -52.3 | 172.5 | 178.4 | 65.5 | 0 | 0 | 0 | 111.9 | F144 I148 V188 L192 S230 I231 L232 G236 C237 V238 | F144-L234 HydrophobicContact CE2-CD1 4.46Å; F144-L234 HydrophobicContact CZ-CB 4Å; F144-L234 HydrophobicContact CZ-CD1 4.15Å; F144-L234 HydrophobicContact CZ-CD2 4.29Å; F144-L234 HydrophobicContact CZ-CG 4.37Å; I148-L234 HydrophobicContact CD1-CD1 3.82Å; I148-L234 HydrophobicContact CG1-CD1 4.27Å; V188-L234 HydrophobicContact CG1-CD1 4.12Å; L192-L234 HydrophobicContact CD2-CD2 3.87Å; L192-L234 HydrophobicContact CD2-CG 4.26Å; L192-L234 HydrophobicContact CG-CD2 4.21Å; S230-L234 PolarHBondContact O-N 3.11Å; I231-L234 WeakPolarHBondContact O-CB 3.41Å; I231-L234 PolarHBondContact O-N 2.77Å; L232-L234 VanDerWaalsContact C-N 3.28Å; L232-L234 PolarHBondContact O-N 2.93Å; L234-G236 VanDerWaalsContact C-N 3.29Å; L234-G236 PolarHBondContact O-N 3.16Å; L234-C237 WeakPolarHBondContact O-CB 3.49Å; L234-C237 PolarHBondContact O-N 3.21Å; L234-C237 VanDerWaalsContact O-N 3.14Å; L234-V238 HydrophobicContact CD1-CG2 4.45Å; L234-V238 HydrophobicContact CG-CG2 4.48Å; L234-V238 VanDerWaalsContact O-CG2 3.23Å; L234-V238 WeakPolarHBondContact O-CG2 3.47Å; L234-V238 PolarHBondContact O-N 2.91Å |
| 235 | L | 95.4 | Very high | 88 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -35.9 | 179.4 | -71.3 | 171.8 | 0 | 0 | 0 | 111.6 | L192 I231 L232 V238 Q239 I258 L261 I271 A274 A275 V278 | L192-L235 HydrophobicContact CD2-CD2 3.88Å; I231-L235 HydrophobicContact CG2-CD1 4.1Å; I231-L235 HydrophobicContact CG2-CG 4.43Å; I231-L235 WeakPolarHBondContact O-CG 3.32Å; I231-L235 PolarHBondContact O-N 3.31Å; L232-L235 PolarHBondContact O-N 3.32Å; L235-V238 PolarHBondContact O-N 3.08Å; L235-Q239 VanDerWaalsContact O-CB 3.32Å; L235-Q239 WeakPolarHBondContact O-CB 3.49Å; L235-Q239 PolarHBondContact O-N 3.33Å; L235-I258 HydrophobicContact CD2-CD1 3.74Å; L235-L261 HydrophobicContact CD2-CD1 4.22Å; L235-I271 HydrophobicContact CD1-CG2 3.8Å; L235-A274 HydrophobicContact CB-CB 3.89Å; L235-A274 HydrophobicContact CD1-CB 3.75Å; L235-A274 HydrophobicContact CG-CB 4.47Å; L235-A275 HydrophobicContact CD1-CB 4.18Å; L235-A275 HydrophobicContact CD2-CB 4.34Å; L235-V278 HydrophobicContact CD2-CG2 4.31Å; L235-V278 WeakPolarHBondContact O-CG2 3.41Å |
| 236 | G | 93.9 | Very high | 89.2 | Confident | 18 Ų | 18 | 31.7 Ų | 31.7 | 19% | 0.186 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L232 D233 L234 H240 | L232-G236 PolarHBondContact O-N 3.29Å; D233-G236 PolarHBondContact O-N 3.03Å; L234-G236 VanDerWaalsContact C-N 3.29Å; L234-G236 PolarHBondContact O-N 3.16Å; G236-H240 PolarHBondContact O-N 3.48Å |
| 237 | C | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.5 | -46.6 | 172 | -176 | 0 | 0 | 0 | 0 | 111.5 | I148 K152 D233 L234 Q239 H240 L241 | I148-C237 HydrophobicContact CG2-CB 3.84Å; K152-C237 HydrophobicContact CB-CB 3.85Å; K152-C237 HydrophobicContact CG-CB 4.39Å; D233-C237 WeakPolarHBondContact O-CB 3.49Å; D233-C237 PolarHBondContact O-N 2.91Å; L234-C237 WeakPolarHBondContact O-CB 3.49Å; L234-C237 PolarHBondContact O-N 3.21Å; L234-C237 VanDerWaalsContact O-N 3.14Å; C237-Q239 PolarHBondContact O-N 3.43Å; C237-H240 PolarHBondContact O-N 3.4Å; C237-L241 WeakPolarHBondContact O-CB 3.23Å; C237-L241 WeakPolarHBondContact O-CG 3.38Å; C237-L241 PolarHBondContact O-N 3.46Å |
| 238 | V | 95.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -46 | 177 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | V188 L192 L234 L235 H240 L241 V242 F254 I258 V278 | V188-V238 HydrophobicContact CG1-CG2 3.35Å; L192-V238 HydrophobicContact CD1-CG2 4.28Å; L192-V238 HydrophobicContact CD2-CG2 4.44Å; L234-V238 HydrophobicContact CD1-CG2 4.45Å; L234-V238 HydrophobicContact CG-CG2 4.48Å; L234-V238 VanDerWaalsContact O-CG2 3.23Å; L234-V238 WeakPolarHBondContact O-CG2 3.47Å; L234-V238 PolarHBondContact O-N 2.91Å; L235-V238 PolarHBondContact O-N 3.08Å; V238-H240 VanDerWaalsContact C-N 3.29Å; V238-H240 PolarHBondContact O-N 3.29Å; V238-L241 PolarHBondContact O-N 3.06Å; V238-V242 HydrophobicContact CG1-CG2 4.17Å; V238-V242 WeakPolarHBondContact O-CB 3.35Å; V238-V242 WeakPolarHBondContact O-CG2 3.46Å; V238-V242 PolarHBondContact O-N 3.24Å; V238-F254 HydrophobicContact CG1-CE2 3.73Å; V238-F254 HydrophobicContact CG1-CZ 3.39Å; V238-I258 HydrophobicContact CG1-CD1 4.33Å; V238-V278 HydrophobicContact CB-CG2 4.34Å; V238-V278 HydrophobicContact CG1-CG1 3.62Å; V238-V278 HydrophobicContact CG1-CG2 4.15Å |
| 239 | Q | 94.5 | Very high | 90.5 | Very high | 60 Ų | 60 | 36 Ų | 36 | 28% | 0.28 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -54.8 | -48.3 | 179.3 | -173.8 | -177.8 | -8.2 | 0 | 0 | 110.5 | L235 C237 S243 V278 E281 | L235-Q239 VanDerWaalsContact O-CB 3.32Å; L235-Q239 WeakPolarHBondContact O-CB 3.49Å; L235-Q239 PolarHBondContact O-N 3.33Å; C237-Q239 PolarHBondContact O-N 3.43Å; Q239-S243 PolarHBondContact O-N 2.92Å; Q239-V278 HydrophobicContact CB-CG2 3.84Å; Q239-E281 HydrophobicContact CG-CB 4.44Å; Q239-E281 HydrophobicContact CG-CG 3.49Å; Q239-E281 VanDerWaalsContact CG-CG 3.49Å |
| 240 | H | 93 | Very high | 90.9 | Very high | 47 Ų | 47 | 33.7 Ų | 33.7 | 22% | 0.218 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.6 | -43.6 | 179 | -167.3 | -78.7 | 0 | 0 | 0 | 112.5 | S155 E156 G236 C237 V238 V242 S243 | S155-H240 WeakPolarHBondContact CB-ND1 3.35Å; S155-H240 PolarHBondContact O-CE1 3.02Å; S155-H240 PolarHBondContact OG-ND1 2.98Å; E156-H240 WeakPolarHBondContact CA-CE1 3.46Å; E156-H240 VanDerWaalsContact CG-CD2 3.47Å; E156-H240 WeakPolarHBondContact CG-CD2 3.13Å; E156-H240 WeakPolarHBondContact CG-NE2 3.42Å; E156-H240 PolarHBondContact N-CE1 3.04Å; E156-H240 VanDerWaalsContact N-CE1 3.31Å; E156-H240 PolarHBondContact N-ND1 3.34Å; G236-H240 PolarHBondContact O-N 3.48Å; C237-H240 PolarHBondContact O-N 3.4Å; V238-H240 VanDerWaalsContact C-N 3.29Å; V238-H240 PolarHBondContact O-N 3.29Å; H240-V242 VanDerWaalsContact C-N 3.32Å; H240-V242 PolarHBondContact O-N 2.7Å; H240-S243 WeakPolarHBondContact O-CB 3.41Å; H240-S243 PolarHBondContact O-N 3.18Å; H240-S243 VanDerWaalsContact O-N 3.17Å; H240-S243 PolarHBondContact O-OG 3.48Å |
| 241 | L | 92.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.4 | -46.9 | 177.1 | -77.7 | 167.3 | 0 | 0 | 0 | 111.5 | S155 V184 C237 V238 S243 W244 I245 | S155-L241 WeakPolarHBondContact OG-CD2 3.48Å; V184-L241 HydrophobicContact CG1-CD1 4.2Å; C237-L241 WeakPolarHBondContact O-CB 3.23Å; C237-L241 WeakPolarHBondContact O-CG 3.38Å; C237-L241 PolarHBondContact O-N 3.46Å; V238-L241 PolarHBondContact O-N 3.06Å; L241-S243 PolarHBondContact O-N 2.94Å; L241-W244 HydrophobicContact CD2-CZ2 4.15Å; L241-W244 PolarHBondContact O-N 3.47Å; L241-I245 WeakPolarHBondContact O-CG1 3.28Å; L241-I245 WeakPolarHBondContact O-CG2 3.3Å; L241-I245 PolarHBondContact O-N 3.33Å |
| 242 | V | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.4 | -35 | 179.7 | 161.9 | 0 | 0 | 0 | 0 | 112.4 | V238 H240 W244 I245 F254 V278 E281 L282 L285 | V238-V242 HydrophobicContact CG1-CG2 4.17Å; V238-V242 WeakPolarHBondContact O-CB 3.35Å; V238-V242 WeakPolarHBondContact O-CG2 3.46Å; V238-V242 PolarHBondContact O-N 3.24Å; H240-V242 VanDerWaalsContact C-N 3.32Å; H240-V242 PolarHBondContact O-N 2.7Å; V242-W244 PolarHBondContact O-N 2.94Å; V242-I245 HydrophobicContact CG2-CD1 4.32Å; V242-F254 HydrophobicContact CG2-CE1 4.37Å; V242-F254 HydrophobicContact CG2-CZ 3.98Å; V242-V278 HydrophobicContact CG2-CG1 4.47Å; V242-E281 HydrophobicContact CG1-CB 4.19Å; V242-L282 HydrophobicContact CB-CD2 4.2Å; V242-L282 HydrophobicContact CB-CG 4.5Å; V242-L282 HydrophobicContact CG1-CB 4.18Å; V242-L282 HydrophobicContact CG1-CD2 3.31Å; V242-L282 HydrophobicContact CG1-CG 3.55Å; V242-L282 HydrophobicContact CG2-CD2 3.8Å; V242-L282 HydrophobicContact CG2-CG 4.2Å; V242-L285 HydrophobicContact CG1-CD1 4.24Å; V242-L285 WeakPolarHBondContact O-CD1 3.48Å |
| 243 | S | 90.8 | Very high | 91.2 | Very high | 43 Ų | 43 | 42.5 Ų | 42.5 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.3 | -173.3 | 72.5 | 0 | 0 | 0 | 0 | 115.3 | Q239 H240 L241 L285 | Q239-S243 PolarHBondContact O-N 2.92Å; H240-S243 WeakPolarHBondContact O-CB 3.41Å; H240-S243 PolarHBondContact O-N 3.18Å; H240-S243 VanDerWaalsContact O-N 3.17Å; H240-S243 PolarHBondContact O-OG 3.48Å; L241-S243 PolarHBondContact O-N 2.94Å; S243-L285 WeakPolarHBondContact O-CD2 3.45Å |
| 244 | W | 90 | Very high | 91.4 | Very high | 27 Ų | 27 | 41.2 Ų | 41.2 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | -11.7 | -176.3 | 63.3 | -93.9 | 0 | 0 | 0 | 115.6 | S155 V158 V159 Y174 I177 V181 L241 V242 | S155-W244 PolarHBondContact OG-NE1 3.49Å; V158-W244 HydrophobicContact CB-CZ2 4.4Å; V158-W244 HydrophobicContact CG1-CE3 4.47Å; V158-W244 HydrophobicContact CG1-CH2 4.2Å; V158-W244 HydrophobicContact CG1-CZ2 4.23Å; V158-W244 HydrophobicContact CG1-CZ3 4.32Å; V158-W244 HydrophobicContact CG2-CZ2 4.4Å; V159-W244 HydrophobicContact CG2-CB 3.74Å; V159-W244 HydrophobicContact CG2-CD2 4.16Å; V159-W244 HydrophobicContact CG2-CG 3.46Å; V159-W244 VanDerWaalsContact CG2-CG 3.46Å; Y174-W244 HydrophobicContact CD2-CE3 4.36Å; Y174-W244 HydrophobicContact CE2-CD2 4.33Å; Y174-W244 AromaticContact CE2-CE3 3.48Å; Y174-W244 HydrophobicContact CE2-CE3 3.48Å; Y174-W244 VanDerWaalsContact CE2-CE3 3.48Å; Y174-W244 AromaticContact CE2-CZ3 3.92Å; Y174-W244 HydrophobicContact CE2-CZ3 3.92Å; Y174-W244 AromaticContact CZ-CE3 3.95Å; Y174-W244 PolarHBondContact OH-O 2.92Å; I177-W244 HydrophobicContact CG2-CH2 3.92Å; V181-W244 HydrophobicContact CG2-CH2 3.6Å; V181-W244 HydrophobicContact CG2-CZ3 4.08Å; L241-W244 HydrophobicContact CD2-CZ2 4.15Å; L241-W244 PolarHBondContact O-N 3.47Å; V242-W244 PolarHBondContact O-N 2.94Å |
| 245 | I | 89.1 | Confident | 91.3 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -69.3 | 160.9 | -179.7 | 60.9 | 172.7 | 0 | 0 | 0 | 112.4 | V181 L185 L241 V242 T247 I250 | V181-I245 HydrophobicContact CG1-CB 4.36Å; V181-I245 HydrophobicContact CG1-CG2 3.67Å; V181-I245 HydrophobicContact CG2-CG2 4.39Å; L185-I245 HydrophobicContact CD1-CD1 3.95Å; L185-I245 HydrophobicContact CD2-CD1 3.98Å; L241-I245 WeakPolarHBondContact O-CG1 3.28Å; L241-I245 WeakPolarHBondContact O-CG2 3.3Å; L241-I245 PolarHBondContact O-N 3.33Å; V242-I245 HydrophobicContact CG2-CD1 4.32Å; I245-T247 PolarHBondContact O-N 3.45Å; I245-I250 HydrophobicContact CD1-CG1 4.39Å |
| 246 | R | 86.5 | Confident | 91.2 | Very high | 152 Ų | 152 | 44.7 Ų | 44.7 | 57% | 0.574 | 22% | 0.215 | S | C | * | . | trans | -71.7 | 126.4 | 172.4 | -61.1 | -178.1 | -174.3 | -178.6 | 3 | 109.7 | E248 L249 | R246-E248 PolarHBondContact O-N 3.05Å; R246-E248 VanDerWaalsContact O-N 3.13Å; R246-L249 HydrophobicContact CB-CD1 4.39Å; R246-L249 HydrophobicContact CB-CG 4.35Å; R246-L249 PolarHBondContact O-N 3.33Å; R246-L249 VanDerWaalsContact O-N 3.12Å | ||
| 247 | T | 85.6 | Confident | 91.1 | Very high | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.08 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -59.7 | -26.8 | -178.3 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | I245 L249 I250 L285 K287 P288 L289 P290 | I245-T247 PolarHBondContact O-N 3.45Å; T247-L249 PolarHBondContact O-N 2.97Å; T247-I250 WeakPolarHBondContact O-CB 3.38Å; T247-I250 PolarHBondContact O-N 2.95Å; T247-L285 HydrophobicContact CG2-CD1 3.79Å; T247-K287 HydrophobicContact CG2-CB 4.16Å; T247-P288 PolarHBondContact OG1-O 3.41Å; T247-L289 HydrophobicContact CG2-CD2 4.01Å; T247-P290 WeakPolarHBondContact O-CD 3.36Å; T247-P290 WeakPolarHBondContact O-CG 3.28Å |
| 248 | E | 86.6 | Confident | 91.2 | Very high | 162 Ų | 162 | 44 Ų | 44 | 76% | 0.757 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -60.8 | -22.9 | 177.4 | -64.8 | 168.8 | -169.3 | 0 | 0 | 114.2 | R246 I250 | R246-E248 PolarHBondContact O-N 3.05Å; R246-E248 VanDerWaalsContact O-N 3.13Å; E248-I250 VanDerWaalsContact C-N 3.29Å |
| 249 | L | 87 | Confident | 91.1 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 33% | 0.33 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -82.4 | -9.3 | -179.5 | -58.8 | 177.1 | 0 | 0 | 0 | 113 | V181 P182 L185 R246 T247 S251 | V181-L249 HydrophobicContact CB-CD1 4.32Å; V181-L249 HydrophobicContact CG1-CD1 3.74Å; P182-L249 HydrophobicContact CG-CD1 4.31Å; P182-L249 HydrophobicContact CG-CD2 4.07Å; L185-L249 HydrophobicContact CD1-CB 3.47Å; L185-L249 VanDerWaalsContact CD1-CB 3.47Å; L185-L249 HydrophobicContact CD1-CD1 4.29Å; R246-L249 HydrophobicContact CB-CD1 4.39Å; R246-L249 HydrophobicContact CB-CG 4.35Å; R246-L249 PolarHBondContact O-N 3.33Å; R246-L249 VanDerWaalsContact O-N 3.12Å; T247-L249 PolarHBondContact O-N 2.97Å; L249-S251 PolarHBondContact O-N 3.26Å |
| 250 | I | 90.2 | Very high | 91 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | trans | -75.9 | 120.4 | -179.5 | -62 | 166.3 | 0 | 0 | 0 | 108.8 | I245 T247 E248 F254 L282 L289 P290 F291 | I245-I250 HydrophobicContact CD1-CG1 4.39Å; T247-I250 WeakPolarHBondContact O-CB 3.38Å; T247-I250 PolarHBondContact O-N 2.95Å; E248-I250 VanDerWaalsContact C-N 3.29Å; I250-F254 HydrophobicContact CG2-CB 4.44Å; I250-F254 HydrophobicContact CG2-CD1 3.57Å; I250-F254 HydrophobicContact CG2-CE1 4.15Å; I250-F254 HydrophobicContact CG2-CG 4.3Å; I250-L282 HydrophobicContact CD1-CD2 3.4Å; I250-L289 HydrophobicContact CD1-CD2 3.9Å; I250-P290 HydrophobicContact CB-CG 3.93Å; I250-P290 HydrophobicContact CG2-CG 4.44Å; I250-P290 WeakPolarHBondContact O-CG 3.44Å; I250-F291 WeakPolarHBondContact O-CE2 3.47Å | ||
| 251 | S | 91.1 | Very high | 91.1 | Very high | 41 Ų | 41 | 41 Ų | 41 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | trans | -81.5 | 159.1 | 176.2 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | L249 Y253 F254 L255 | L249-S251 PolarHBondContact O-N 3.26Å; S251-Y253 VanDerWaalsContact C-N 3.31Å; S251-Y253 PolarHBondContact O-N 3.1Å; S251-F254 WeakPolarHBondContact O-CB 3.44Å; S251-F254 PolarHBondContact O-N 3.29Å; S251-F254 WeakPolarHBondContact OG-CB 3.35Å; S251-F254 PolarHBondContact OG-N 2.89Å; S251-F254 VanDerWaalsContact OG-N 3.13Å; S251-L255 PolarHBondContact O-N 3.45Å | ||
| 252 | E | 91.2 | Very high | 91.2 | Very high | 88 Ų | 88 | 40.6 Ų | 40.6 | 41% | 0.411 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 174.6 | -175.1 | 172.7 | -157.6 | 0 | 0 | 111.5 | F254 L255 M256 F291 P294 | E252-F254 VanDerWaalsContact C-N 3.35Å; E252-F254 PolarHBondContact O-N 3.44Å; E252-L255 PolarHBondContact O-N 2.73Å; E252-M256 HydrophobicContact CG-CG 4.33Å; E252-M256 WeakPolarHBondContact O-CB 3.25Å; E252-M256 VanDerWaalsContact O-CG 3.28Å; E252-M256 WeakPolarHBondContact O-CG 3.39Å; E252-M256 PolarHBondContact O-N 3.37Å; E252-F291 HydrophobicContact CB-CD1 4.26Å; E252-F291 HydrophobicContact CB-CD2 4.07Å; E252-F291 HydrophobicContact CB-CE1 4.29Å; E252-F291 HydrophobicContact CB-CE2 4.11Å; E252-F291 HydrophobicContact CB-CG 4.15Å; E252-F291 HydrophobicContact CB-CZ 4.22Å; E252-F291 HydrophobicContact CG-CG 4.46Å; E252-P294 HydrophobicContact CG-CG 4.39Å; E252-P294 WeakPolarHBondContact OE1-CG 3.45Å |
| 253 | Y | 90.5 | Very high | 91.2 | Very high | 120 Ų | 120 | 43 Ų | 43 | 47% | 0.471 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 176.8 | -66.5 | -69.3 | 0 | 0 | 0 | 113 | L212 S251 S257 | L212-Y253 HydrophobicContact CD1-CE1 4.3Å; L212-Y253 HydrophobicContact CD1-CE2 3.98Å; S251-Y253 VanDerWaalsContact C-N 3.31Å; S251-Y253 PolarHBondContact O-N 3.1Å; Y253-S257 WeakPolarHBondContact O-CB 3.31Å; Y253-S257 PolarHBondContact O-N 3.02Å; Y253-S257 PolarHBondContact O-OG 3.38Å |
| 254 | F | 93.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -51.4 | 174.4 | 175.6 | -83 | 0 | 0 | 0 | 110.4 | L185 V188 T189 L192 V238 V242 I250 S251 E252 M256 S257 I258 L282 | L185-F254 HydrophobicContact CD2-CE2 4.35Å; V188-F254 HydrophobicContact CG1-CE2 4.41Å; T189-F254 HydrophobicContact CG2-CB 4.1Å; L192-F254 HydrophobicContact CD1-CD2 3.53Å; L192-F254 HydrophobicContact CD1-CE2 3.6Å; L192-F254 HydrophobicContact CD1-CG 4.34Å; L192-F254 HydrophobicContact CD1-CZ 4.48Å; V238-F254 HydrophobicContact CG1-CE2 3.73Å; V238-F254 HydrophobicContact CG1-CZ 3.39Å; V242-F254 HydrophobicContact CG2-CE1 4.37Å; V242-F254 HydrophobicContact CG2-CZ 3.98Å; I250-F254 HydrophobicContact CG2-CB 4.44Å; I250-F254 HydrophobicContact CG2-CD1 3.57Å; I250-F254 HydrophobicContact CG2-CE1 4.15Å; I250-F254 HydrophobicContact CG2-CG 4.3Å; S251-F254 WeakPolarHBondContact O-CB 3.44Å; S251-F254 PolarHBondContact O-N 3.29Å; S251-F254 WeakPolarHBondContact OG-CB 3.35Å; S251-F254 PolarHBondContact OG-N 2.89Å; S251-F254 VanDerWaalsContact OG-N 3.13Å; E252-F254 VanDerWaalsContact C-N 3.35Å; E252-F254 PolarHBondContact O-N 3.44Å; F254-M256 PolarHBondContact O-N 3.23Å; F254-S257 PolarHBondContact O-N 3.06Å; F254-I258 HydrophobicContact CD1-CG1 4.35Å; F254-I258 HydrophobicContact CE1-CG1 4.09Å; F254-I258 HydrophobicContact CZ-CG1 4.36Å; F254-I258 WeakPolarHBondContact O-CG1 3.36Å; F254-I258 PolarHBondContact O-N 3.44Å; F254-L282 HydrophobicContact CE1-CD1 4.41Å |
| 255 | L | 93 | Very high | 91.1 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | -178 | -178.9 | 62.1 | 0 | 0 | 0 | 111.8 | S251 E252 S257 I258 L259 L279 L282 F291 L295 | S251-L255 PolarHBondContact O-N 3.45Å; E252-L255 PolarHBondContact O-N 2.73Å; L255-S257 VanDerWaalsContact C-N 3.33Å; L255-S257 PolarHBondContact O-N 3.45Å; L255-I258 PolarHBondContact O-N 2.94Å; L255-L259 HydrophobicContact CD1-CD1 4.24Å; L255-L259 HydrophobicContact CG-CD1 4Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 2.94Å; L255-L279 HydrophobicContact CD1-CD2 4.35Å; L255-L282 HydrophobicContact CD1-CD1 4.3Å; L255-F291 HydrophobicContact CD2-CB 4.38Å; L255-L295 HydrophobicContact CD1-CD1 4.22Å; L255-L295 HydrophobicContact CD2-CB 4.22Å |
| 256 | M | 92.8 | Very high | 90.8 | Very high | 72 Ų | 72 | 46.7 Ų | 46.7 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 175.7 | -68.2 | -73.7 | 84.9 | 0 | 0 | 112.5 | E252 F254 L259 D260 P294 | E252-M256 HydrophobicContact CG-CG 4.33Å; E252-M256 WeakPolarHBondContact O-CB 3.25Å; E252-M256 VanDerWaalsContact O-CG 3.28Å; E252-M256 WeakPolarHBondContact O-CG 3.39Å; E252-M256 PolarHBondContact O-N 3.37Å; F254-M256 PolarHBondContact O-N 3.23Å; M256-L259 HydrophobicContact CE-CD1 3.36Å; M256-L259 PolarHBondContact O-N 2.63Å; M256-D260 PolarHBondContact O-N 2.94Å; M256-P294 HydrophobicContact CE-CB 3.3Å; M256-P294 WeakPolarHBondContact CE-O 3.35Å; M256-P294 HydrophobicContact SD-CB 3.98Å |
| 257 | S | 93.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 177.2 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | L193 Y253 F254 L255 D260 L261 | L193-S257 WeakPolarHBondContact CD2-OG 3.38Å; Y253-S257 WeakPolarHBondContact O-CB 3.31Å; Y253-S257 PolarHBondContact O-N 3.02Å; Y253-S257 PolarHBondContact O-OG 3.38Å; F254-S257 PolarHBondContact O-N 3.06Å; L255-S257 VanDerWaalsContact C-N 3.33Å; L255-S257 PolarHBondContact O-N 3.45Å; S257-D260 PolarHBondContact O-N 2.94Å; S257-L261 WeakPolarHBondContact O-CB 3.39Å; S257-L261 WeakPolarHBondContact O-CG 3.34Å; S257-L261 PolarHBondContact O-N 2.92Å |
| 258 | I | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 177.6 | -62.8 | -60 | 0 | 0 | 0 | 111.1 | L192 L235 V238 F254 L255 L261 S262 V278 L279 | L192-I258 HydrophobicContact CD1-CD1 3.83Å; L192-I258 HydrophobicContact CD1-CG1 4.29Å; L192-I258 HydrophobicContact CD2-CD1 3.79Å; L192-I258 HydrophobicContact CG-CD1 4.46Å; L235-I258 HydrophobicContact CD2-CD1 3.74Å; V238-I258 HydrophobicContact CG1-CD1 4.33Å; F254-I258 HydrophobicContact CD1-CG1 4.35Å; F254-I258 HydrophobicContact CE1-CG1 4.09Å; F254-I258 HydrophobicContact CZ-CG1 4.36Å; F254-I258 WeakPolarHBondContact O-CG1 3.36Å; F254-I258 PolarHBondContact O-N 3.44Å; L255-I258 PolarHBondContact O-N 2.94Å; I258-L261 PolarHBondContact O-N 3.48Å; I258-S262 WeakPolarHBondContact O-CB 3.47Å; I258-S262 PolarHBondContact O-N 2.93Å; I258-V278 HydrophobicContact CD1-CB 4.49Å; I258-V278 HydrophobicContact CD1-CG1 4Å; I258-V278 HydrophobicContact CG1-CG1 4.15Å; I258-V278 HydrophobicContact CG2-CB 4.13Å; I258-V278 HydrophobicContact CG2-CG1 3.97Å; I258-L279 HydrophobicContact CB-CD2 4.36Å; I258-L279 HydrophobicContact CG2-CD1 4.3Å; I258-L279 HydrophobicContact CG2-CD2 3.54Å; I258-L279 HydrophobicContact CG2-CG 3.54Å |
| 259 | L | 94.4 | Very high | 90.9 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.8 | -77.7 | 162.9 | 0 | 0 | 0 | 112.1 | L255 M256 S262 L279 L302 | L255-L259 HydrophobicContact CD1-CD1 4.24Å; L255-L259 HydrophobicContact CG-CD1 4Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 2.94Å; M256-L259 HydrophobicContact CE-CD1 3.36Å; M256-L259 PolarHBondContact O-N 2.63Å; L259-S262 PolarHBondContact O-N 2.88Å; L259-S262 PolarHBondContact O-OG 3.42Å; L259-L279 HydrophobicContact CD2-CD1 3.84Å; L259-L279 HydrophobicContact CD2-CD2 4.11Å; L259-L279 HydrophobicContact CG-CD2 4.2Å; L259-L302 HydrophobicContact CD2-CD1 3.98Å |
| 260 | D | 93.3 | Very high | 91.1 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 20% | 0.203 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 175.3 | -172.7 | 90.9 | 0 | 0 | 0 | 111.9 | V196 N200 M256 S257 S262 Q263 R265 | V196-D260 HydrophobicContact CG1-CB 4.42Å; V196-D260 HydrophobicContact CG2-CB 4.4Å; N200-D260 PolarHBondContact ND2-OD2 3.12Å; M256-D260 PolarHBondContact O-N 2.94Å; S257-D260 PolarHBondContact O-N 2.94Å; D260-S262 PolarHBondContact O-N 3.42Å; D260-Q263 WeakPolarHBondContact O-CB 3.42Å; D260-Q263 WeakPolarHBondContact O-CG 3.23Å; D260-Q263 PolarHBondContact O-N 3.49Å; D260-R265 PolarHBondContact O-NH1 3.3Å; D260-R265 PolarHBondContact O-NH2 3.39Å; D260-R265 IonicContact OD1-NH2 3.39Å; D260-R265 IonicContact OD2-CZ 2.63Å; D260-R265 IonicContact OD2-NH2 3.25Å; D260-R265 PolarHBondContact OD2-NH2 3.49Å |
| 261 | L | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -28.2 | 178.1 | -68.9 | 174.7 | 0 | 0 | 0 | 112.9 | L192 A195 V196 I199 L235 S257 I258 Q263 I271 S272 A275 | L192-L261 HydrophobicContact CD2-CD1 3.99Å; A195-L261 HydrophobicContact CB-CD1 4.42Å; V196-L261 HydrophobicContact CG2-CD1 4.24Å; V196-L261 HydrophobicContact CG2-CD2 3.98Å; V196-L261 HydrophobicContact CG2-CG 3.78Å; I199-L261 HydrophobicContact CD1-CD2 3.27Å; I199-L261 HydrophobicContact CG1-CD2 4.47Å; L235-L261 HydrophobicContact CD2-CD1 4.22Å; S257-L261 WeakPolarHBondContact O-CB 3.39Å; S257-L261 WeakPolarHBondContact O-CG 3.34Å; S257-L261 PolarHBondContact O-N 2.92Å; I258-L261 PolarHBondContact O-N 3.48Å; L261-Q263 VanDerWaalsContact C-N 3.27Å; L261-Q263 PolarHBondContact O-N 3.09Å; L261-I271 HydrophobicContact CD2-CG2 4.41Å; L261-S272 WeakPolarHBondContact O-CA 3.37Å; L261-A275 HydrophobicContact CB-CB 3.66Å |
| 262 | S | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.4 | -15.3 | 179.3 | 72.6 | 0 | 0 | 0 | 0 | 114.4 | I258 L259 D260 L302 Y316 | I258-S262 WeakPolarHBondContact O-CB 3.47Å; I258-S262 PolarHBondContact O-N 2.93Å; L259-S262 PolarHBondContact O-N 2.88Å; L259-S262 PolarHBondContact O-OG 3.42Å; D260-S262 PolarHBondContact O-N 3.42Å; S262-L302 VanDerWaalsContact OG-CD1 3.26Å; S262-L302 WeakPolarHBondContact OG-CD1 3.3Å; S262-L302 WeakPolarHBondContact OG-CD2 3.39Å; S262-Y316 WeakPolarHBondContact O-CE2 3.21Å; S262-Y316 PolarHBondContact O-OH 2.89Å; S262-Y316 VanDerWaalsContact O-OH 3.06Å |
| 263 | Q | 92.4 | Very high | 91.5 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -57.7 | 136.5 | 177 | -69.4 | -178.9 | 7.9 | 0 | 0 | 111.9 | D260 L261 R265 S272 L302 Q305 | D260-Q263 WeakPolarHBondContact O-CB 3.42Å; D260-Q263 WeakPolarHBondContact O-CG 3.23Å; D260-Q263 PolarHBondContact O-N 3.49Å; L261-Q263 VanDerWaalsContact C-N 3.27Å; L261-Q263 PolarHBondContact O-N 3.09Å; Q263-R265 PolarHBondContact O-N 3.35Å; Q263-R265 VanDerWaalsContact O-N 3.14Å; Q263-S272 PolarHBondContact O-OG 3.47Å; Q263-L302 HydrophobicContact CB-CD2 4.29Å; Q263-L302 HydrophobicContact CG-CD2 3.72Å; Q263-Q305 VanDerWaalsContact CG-OE1 3.29Å |
| 264 | W | 90.2 | Very high | 91.6 | Very high | 20 Ų | 20 | 31.5 Ų | 31.5 | 8% | 0.076 | 18% | 0.181 | C | C | . | . | trans | -60.5 | 116.7 | 179.1 | 175.3 | -106.1 | 0 | 0 | 0 | 111.7 | E269 Q305 R311 Q312 Y316 | W264-E269 HydrophobicContact CH2-CB 4.35Å; W264-E269 HydrophobicContact CH2-CG 4Å; W264-E269 HydrophobicContact CZ3-CB 4.43Å; W264-E269 HydrophobicContact CZ3-CG 3.92Å; W264-Q305 PolarHBondContact O-NE2 3.41Å; W264-R311 WeakPolarHBondContact CZ2-O 3.43Å; W264-Q312 HydrophobicContact CD2-CB 4.23Å; W264-Q312 HydrophobicContact CD2-CG 3.75Å; W264-Q312 HydrophobicContact CE3-CB 4.39Å; W264-Q312 HydrophobicContact CE3-CG 4.31Å; W264-Q312 HydrophobicContact CG-CG 3.82Å; W264-Q312 HydrophobicContact CZ2-CB 4.41Å; W264-Y316 HydrophobicContact CB-CE1 4.13Å; W264-Y316 HydrophobicContact CB-CE2 4.29Å; W264-Y316 AromaticContact CE3-CD1 3.81Å; W264-Y316 HydrophobicContact CE3-CD1 3.81Å; W264-Y316 AromaticContact CE3-CD2 3.54Å; W264-Y316 HydrophobicContact CE3-CD2 3.54Å; W264-Y316 HydrophobicContact CE3-CE1 4.24Å; W264-Y316 AromaticContact CE3-CE2 3.95Å; W264-Y316 HydrophobicContact CE3-CE2 3.95Å; W264-Y316 AromaticContact CE3-CG 3.46Å; W264-Y316 HydrophobicContact CE3-CG 3.46Å; W264-Y316 VanDerWaalsContact CE3-CG 3.46Å; W264-Y316 HydrophobicContact CZ3-CD1 4.41Å; W264-Y316 HydrophobicContact CZ3-CD2 4.01Å; W264-Y316 AromaticContact CZ3-CG 3.77Å; W264-Y316 HydrophobicContact CZ3-CG 3.77Å; W264-Y316 PolarHBondContact N-OH 2.8Å | ||
| 265 | R | 88.4 | Confident | 91.8 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | trans | -131.8 | 113.7 | 175.2 | -65.5 | 179.7 | -177.2 | 103 | -10.5 | 110 | I199 N200 D260 Q263 A267 H268 E269 | I199-R265 VanDerWaalsContact CG2-CD 3.48Å; N200-R265 PolarHBondContact OD1-NH2 3.09Å; D260-R265 PolarHBondContact O-NH1 3.3Å; D260-R265 PolarHBondContact O-NH2 3.39Å; D260-R265 IonicContact OD1-NH2 3.39Å; D260-R265 IonicContact OD2-CZ 2.63Å; D260-R265 IonicContact OD2-NH2 3.25Å; D260-R265 PolarHBondContact OD2-NH2 3.49Å; Q263-R265 PolarHBondContact O-N 3.35Å; Q263-R265 VanDerWaalsContact O-N 3.14Å; R265-A267 VanDerWaalsContact C-N 3.29Å; R265-A267 PolarHBondContact O-N 3Å; R265-H268 HydrophobicContact CB-CB 4.32Å; R265-H268 CarbonylContact O-C 3.56Å; R265-H268 PolarHBondContact O-N 2.9Å; R265-E269 PolarHBondContact O-N 2.94Å | ||
| 266 | P | 83.9 | Confident | 91.9 | Very high | 105 Ų | 105 | 31.2 Ų | 31.2 | 68% | 0.682 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -64.6 | -30.4 | -174.5 | 24.5 | -33.6 | 0 | 0 | 0 | 113.4 | H268 | P266-H268 VanDerWaalsContact C-N 3.26Å; P266-H268 PolarHBondContact O-N 3.24Å |
| 267 | A | 84.2 | Confident | 92 | Very high | 85 Ų | 85 | 28.2 Ų | 28.2 | 70% | 0.702 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -72.9 | -18.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R265 | R265-A267 VanDerWaalsContact C-N 3.29Å; R265-A267 PolarHBondContact O-N 3Å |
| 268 | H | 86.9 | Confident | 92.1 | Very high | 57 Ų | 57 | 28 Ų | 28 | 26% | 0.264 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -136.4 | 39.7 | -173.7 | -61.9 | -50.8 | 0 | 0 | 0 | 111.7 | R265 P266 I271 S272 | R265-H268 HydrophobicContact CB-CB 4.32Å; R265-H268 CarbonylContact O-C 3.56Å; R265-H268 PolarHBondContact O-N 2.9Å; P266-H268 VanDerWaalsContact C-N 3.26Å; P266-H268 PolarHBondContact O-N 3.24Å; H268-I271 HydrophobicContact CB-CB 4.45Å; H268-I271 HydrophobicContact CB-CD1 4.27Å; H268-I271 PolarHBondContact O-N 3.34Å; H268-S272 PolarHBondContact O-N 3.27Å; H268-S272 VanDerWaalsContact O-N 3.15Å; H268-S272 PolarHBondContact O-OG 3.1Å |
| 269 | E | 89.4 | Confident | 92 | Very high | 64 Ų | 64 | 28 Ų | 28 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -47.8 | -51.9 | 177.3 | 175.9 | -176.7 | 171.3 | 0 | 0 | 113.6 | W264 R265 I271 S272 L273 S313 | W264-E269 HydrophobicContact CH2-CB 4.35Å; W264-E269 HydrophobicContact CH2-CG 4Å; W264-E269 HydrophobicContact CZ3-CB 4.43Å; W264-E269 HydrophobicContact CZ3-CG 3.92Å; R265-E269 PolarHBondContact O-N 2.94Å; E269-I271 PolarHBondContact O-N 3.33Å; E269-S272 WeakPolarHBondContact O-CB 3.37Å; E269-S272 PolarHBondContact O-N 3.02Å; E269-S272 VanDerWaalsContact O-N 3.09Å; E269-L273 HydrophobicContact CG-CD1 3.88Å; E269-L273 HydrophobicContact CG-CG 4.34Å; E269-L273 WeakPolarHBondContact O-CG 3.31Å; E269-L273 PolarHBondContact O-N 3.4Å; E269-S313 WeakPolarHBondContact OE1-CB 3.45Å; E269-S313 PolarHBondContact OE1-OG 2.96Å |
| 270 | P | 90.8 | Very high | 92 | Very high | 69 Ų | 69 | 28.2 Ų | 28.2 | 45% | 0.448 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.9 | -29 | -175.3 | 23.5 | -33.8 | 0 | 0 | 0 | 112.9 | L232 A274 | L232-P270 HydrophobicContact CD1-CB 4.12Å; L232-P270 HydrophobicContact CD1-CG 4.45Å; L232-P270 HydrophobicContact CD2-CB 4.05Å; L232-P270 VanDerWaalsContact CD2-O 3.28Å; L232-P270 WeakPolarHBondContact CD2-O 3.49Å; P270-A274 WeakPolarHBondContact O-CB 3.46Å; P270-A274 PolarHBondContact O-N 3.5Å |
| 271 | I | 93 | Very high | 92 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.9 | -43.8 | 176.6 | -59.4 | 178.3 | 0 | 0 | 0 | 109.8 | I199 I231 L232 L235 L261 H268 E269 L273 A274 A275 | I199-I271 HydrophobicContact CD1-CD1 3.92Å; I199-I271 HydrophobicContact CD1-CG2 3.75Å; I199-I271 HydrophobicContact CG1-CD1 4.43Å; I231-I271 HydrophobicContact CB-CD1 4.32Å; I231-I271 HydrophobicContact CD1-CD1 4.38Å; I231-I271 HydrophobicContact CG2-CD1 4.12Å; I231-I271 HydrophobicContact CG2-CG1 4.34Å; I231-I271 HydrophobicContact CG2-CG2 3.84Å; L232-I271 HydrophobicContact CD2-CB 4.46Å; L232-I271 HydrophobicContact CD2-CG1 3.92Å; L232-I271 HydrophobicContact CG-CG1 4.3Å; L235-I271 HydrophobicContact CD1-CG2 3.8Å; L261-I271 HydrophobicContact CD2-CG2 4.41Å; H268-I271 HydrophobicContact CB-CB 4.45Å; H268-I271 HydrophobicContact CB-CD1 4.27Å; H268-I271 PolarHBondContact O-N 3.34Å; E269-I271 PolarHBondContact O-N 3.33Å; I271-L273 VanDerWaalsContact C-N 3.31Å; I271-L273 PolarHBondContact O-N 3.02Å; I271-A274 PolarHBondContact O-N 3.02Å; I271-A275 WeakPolarHBondContact O-CB 3.45Å; I271-A275 PolarHBondContact O-N 3.12Å |
| 272 | S | 93.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -44.4 | 176.6 | -44.1 | 0 | 0 | 0 | 0 | 110.8 | L261 Q263 H268 E269 A275 L276 | L261-S272 WeakPolarHBondContact O-CA 3.37Å; Q263-S272 PolarHBondContact O-OG 3.47Å; H268-S272 PolarHBondContact O-N 3.27Å; H268-S272 VanDerWaalsContact O-N 3.15Å; H268-S272 PolarHBondContact O-OG 3.1Å; E269-S272 WeakPolarHBondContact O-CB 3.37Å; E269-S272 PolarHBondContact O-N 3.02Å; E269-S272 VanDerWaalsContact O-N 3.09Å; S272-A275 PolarHBondContact O-N 3.19Å; S272-L276 PolarHBondContact O-N 2.99Å |
| 273 | L | 94.2 | Very high | 91.6 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 175.4 | -73.2 | 172.4 | 0 | 0 | 0 | 113.3 | E269 I271 S277 M315 Y316 K319 | E269-L273 HydrophobicContact CG-CD1 3.88Å; E269-L273 HydrophobicContact CG-CG 4.34Å; E269-L273 WeakPolarHBondContact O-CG 3.31Å; E269-L273 PolarHBondContact O-N 3.4Å; I271-L273 VanDerWaalsContact C-N 3.31Å; I271-L273 PolarHBondContact O-N 3.02Å; L273-S277 PolarHBondContact O-N 3Å; L273-S277 PolarHBondContact O-OG 3.24Å; L273-M315 HydrophobicContact CD1-CB 4.43Å; L273-M315 HydrophobicContact CD2-CB 4.22Å; L273-Y316 HydrophobicContact CD2-CD2 4.21Å; L273-Y316 HydrophobicContact CD2-CG 4.42Å; L273-K319 HydrophobicContact CD2-CD 4.24Å |
| 274 | A | 94.3 | Very high | 91.5 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 16% | 0.157 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L232 L235 P270 I271 S277 V278 | L232-A274 HydrophobicContact CD2-CB 3.97Å; L235-A274 HydrophobicContact CB-CB 3.89Å; L235-A274 HydrophobicContact CD1-CB 3.75Å; L235-A274 HydrophobicContact CG-CB 4.47Å; P270-A274 WeakPolarHBondContact O-CB 3.46Å; P270-A274 PolarHBondContact O-N 3.5Å; I271-A274 PolarHBondContact O-N 3.02Å; A274-S277 WeakPolarHBondContact O-CB 3.4Å; A274-S277 PolarHBondContact O-N 3.14Å; A274-S277 VanDerWaalsContact O-N 3.17Å; A274-V278 WeakPolarHBondContact O-CG2 3.49Å; A274-V278 PolarHBondContact O-N 3.43Å; A274-V278 VanDerWaalsContact O-N 3.09Å |
| 275 | A | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L235 L261 I271 S272 S277 V278 L279 | L235-A275 HydrophobicContact CD1-CB 4.18Å; L235-A275 HydrophobicContact CD2-CB 4.34Å; L261-A275 HydrophobicContact CB-CB 3.66Å; I271-A275 WeakPolarHBondContact O-CB 3.45Å; I271-A275 PolarHBondContact O-N 3.12Å; S272-A275 PolarHBondContact O-N 3.19Å; A275-S277 VanDerWaalsContact C-N 3.26Å; A275-S277 PolarHBondContact O-N 3.32Å; A275-V278 WeakPolarHBondContact O-CB 3.46Å; A275-V278 PolarHBondContact O-N 2.98Å; A275-L279 PolarHBondContact O-N 3.41Å; A275-L279 VanDerWaalsContact O-N 3.1Å |
| 276 | L | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.2 | -38.4 | 170.5 | -81.6 | 179.9 | 0 | 0 | 0 | 112.2 | S272 V278 L279 N280 Y316 K319 F320 L323 | S272-L276 PolarHBondContact O-N 2.99Å; L276-V278 VanDerWaalsContact C-N 3.33Å; L276-V278 PolarHBondContact O-N 3.24Å; L276-L279 HydrophobicContact CD2-CD1 4.41Å; L276-L279 WeakPolarHBondContact O-CB 3.46Å; L276-L279 PolarHBondContact O-N 2.9Å; L276-L279 VanDerWaalsContact O-N 3.17Å; L276-N280 PolarHBondContact O-N 3.16Å; L276-Y316 HydrophobicContact CD1-CD1 4.48Å; L276-Y316 HydrophobicContact CD1-CD2 3.43Å; L276-Y316 VanDerWaalsContact CD1-CD2 3.43Å; L276-Y316 HydrophobicContact CD1-CE1 4.29Å; L276-Y316 HydrophobicContact CD1-CE2 3.21Å; L276-Y316 HydrophobicContact CD1-CG 4.09Å; L276-Y316 HydrophobicContact CG-CE2 4.05Å; L276-K319 HydrophobicContact CD1-CB 4.31Å; L276-F320 HydrophobicContact CD1-CB 4.28Å; L276-F320 HydrophobicContact CD2-CD2 4.11Å; L276-L323 HydrophobicContact CD2-CD2 3.86Å |
| 277 | S | 95.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.8 | -50 | 0 | 0 | 0 | 0 | 111.4 | L273 A274 A275 L279 N280 E281 K319 | L273-S277 PolarHBondContact O-N 3Å; L273-S277 PolarHBondContact O-OG 3.24Å; A274-S277 WeakPolarHBondContact O-CB 3.4Å; A274-S277 PolarHBondContact O-N 3.14Å; A274-S277 VanDerWaalsContact O-N 3.17Å; A275-S277 VanDerWaalsContact C-N 3.26Å; A275-S277 PolarHBondContact O-N 3.32Å; S277-L279 VanDerWaalsContact C-N 3.32Å; S277-L279 PolarHBondContact O-N 3.11Å; S277-N280 PolarHBondContact O-N 2.7Å; S277-E281 WeakPolarHBondContact O-CG 3.37Å; S277-E281 PolarHBondContact O-N 3.47Å; S277-K319 PolarHBondContact OG-NZ 3.19Å |
| 278 | V | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 173 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | L235 V238 Q239 V242 I258 A274 A275 L276 E281 L282 | L235-V278 HydrophobicContact CD2-CG2 4.31Å; L235-V278 WeakPolarHBondContact O-CG2 3.41Å; V238-V278 HydrophobicContact CB-CG2 4.34Å; V238-V278 HydrophobicContact CG1-CG1 3.62Å; V238-V278 HydrophobicContact CG1-CG2 4.15Å; Q239-V278 HydrophobicContact CB-CG2 3.84Å; V242-V278 HydrophobicContact CG2-CG1 4.47Å; I258-V278 HydrophobicContact CD1-CB 4.49Å; I258-V278 HydrophobicContact CD1-CG1 4Å; I258-V278 HydrophobicContact CG1-CG1 4.15Å; I258-V278 HydrophobicContact CG2-CB 4.13Å; I258-V278 HydrophobicContact CG2-CG1 3.97Å; A274-V278 WeakPolarHBondContact O-CG2 3.49Å; A274-V278 PolarHBondContact O-N 3.43Å; A274-V278 VanDerWaalsContact O-N 3.09Å; A275-V278 WeakPolarHBondContact O-CB 3.46Å; A275-V278 PolarHBondContact O-N 2.98Å; L276-V278 VanDerWaalsContact C-N 3.33Å; L276-V278 PolarHBondContact O-N 3.24Å; V278-E281 PolarHBondContact O-N 2.96Å; V278-L282 HydrophobicContact CG1-CD1 4.45Å; V278-L282 WeakPolarHBondContact O-CG 3.49Å; V278-L282 PolarHBondContact O-N 3.47Å |
| 279 | L | 93.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 176.4 | -69.2 | 172.3 | 0 | 0 | 0 | 112.3 | L255 I258 L259 A275 L276 S277 L282 L283 L302 L323 | L255-L279 HydrophobicContact CD1-CD2 4.35Å; I258-L279 HydrophobicContact CB-CD2 4.36Å; I258-L279 HydrophobicContact CG2-CD1 4.3Å; I258-L279 HydrophobicContact CG2-CD2 3.54Å; I258-L279 HydrophobicContact CG2-CG 3.54Å; L259-L279 HydrophobicContact CD2-CD1 3.84Å; L259-L279 HydrophobicContact CD2-CD2 4.11Å; L259-L279 HydrophobicContact CG-CD2 4.2Å; A275-L279 PolarHBondContact O-N 3.41Å; A275-L279 VanDerWaalsContact O-N 3.1Å; L276-L279 HydrophobicContact CD2-CD1 4.41Å; L276-L279 WeakPolarHBondContact O-CB 3.46Å; L276-L279 PolarHBondContact O-N 2.9Å; L276-L279 VanDerWaalsContact O-N 3.17Å; S277-L279 VanDerWaalsContact C-N 3.32Å; S277-L279 PolarHBondContact O-N 3.11Å; L279-L282 HydrophobicContact CD2-CD1 4.22Å; L279-L282 WeakPolarHBondContact O-CB 3.37Å; L279-L282 PolarHBondContact O-N 3.49Å; L279-L283 WeakPolarHBondContact O-CG 3.43Å; L279-L283 PolarHBondContact O-N 2.7Å; L279-L283 VanDerWaalsContact O-N 3.15Å; L279-L302 HydrophobicContact CD1-CD1 4.4Å; L279-L323 HydrophobicContact CB-CD1 3.7Å; L279-L323 HydrophobicContact CD1-CD2 4.44Å |
| 280 | N | 94.4 | Very high | 89 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 177.1 | -69.7 | -6.9 | 0 | 0 | 0 | 111.1 | L276 S277 L282 L283 Y284 K319 L323 L326 | L276-N280 PolarHBondContact O-N 3.16Å; S277-N280 PolarHBondContact O-N 2.7Å; N280-L282 VanDerWaalsContact C-N 3.34Å; N280-L282 PolarHBondContact O-N 3.39Å; N280-L283 PolarHBondContact O-N 2.88Å; N280-Y284 HydrophobicContact CB-CE2 4.33Å; N280-Y284 VanDerWaalsContact O-CD2 3.29Å; N280-Y284 WeakPolarHBondContact O-CD2 3.4Å; N280-Y284 PolarHBondContact O-N 3.49Å; N280-K319 PolarHBondContact ND2-O 3.31Å; N280-K319 VanDerWaalsContact ND2-O 3.08Å; N280-L323 WeakPolarHBondContact OD1-CA 3.29Å; N280-L323 WeakPolarHBondContact OD1-CB 3.39Å; N280-L323 VanDerWaalsContact OD1-CD1 3.25Å; N280-L323 WeakPolarHBondContact OD1-CD1 3.45Å; N280-L323 PolarHBondContact OD1-N 2.95Å; N280-L326 HydrophobicContact CB-CD1 4.06Å |
| 281 | E | 92.9 | Very high | 88.8 | Confident | 54 Ų | 54 | 39.2 Ų | 39.2 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 173.9 | -66.9 | -54.3 | 156.1 | 0 | 0 | 113.1 | Q239 V242 S277 V278 L283 Y284 L285 | Q239-E281 HydrophobicContact CG-CB 4.44Å; Q239-E281 HydrophobicContact CG-CG 3.49Å; Q239-E281 VanDerWaalsContact CG-CG 3.49Å; V242-E281 HydrophobicContact CG1-CB 4.19Å; S277-E281 WeakPolarHBondContact O-CG 3.37Å; S277-E281 PolarHBondContact O-N 3.47Å; V278-E281 PolarHBondContact O-N 2.96Å; E281-L283 PolarHBondContact O-N 2.92Å; E281-Y284 PolarHBondContact O-N 2.87Å; E281-L285 PolarHBondContact O-N 3.18Å |
| 282 | L | 91.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.6 | -34.2 | 174.5 | -78.3 | 171.6 | 0 | 0 | 0 | 112.4 | V242 I250 F254 L255 V278 L279 N280 L289 K330 | V242-L282 HydrophobicContact CB-CD2 4.2Å; V242-L282 HydrophobicContact CB-CG 4.5Å; V242-L282 HydrophobicContact CG1-CB 4.18Å; V242-L282 HydrophobicContact CG1-CD2 3.31Å; V242-L282 HydrophobicContact CG1-CG 3.55Å; V242-L282 HydrophobicContact CG2-CD2 3.8Å; V242-L282 HydrophobicContact CG2-CG 4.2Å; I250-L282 HydrophobicContact CD1-CD2 3.4Å; F254-L282 HydrophobicContact CE1-CD1 4.41Å; L255-L282 HydrophobicContact CD1-CD1 4.3Å; V278-L282 HydrophobicContact CG1-CD1 4.45Å; V278-L282 WeakPolarHBondContact O-CG 3.49Å; V278-L282 PolarHBondContact O-N 3.47Å; L279-L282 HydrophobicContact CD2-CD1 4.22Å; L279-L282 WeakPolarHBondContact O-CB 3.37Å; L279-L282 PolarHBondContact O-N 3.49Å; N280-L282 VanDerWaalsContact C-N 3.34Å; N280-L282 PolarHBondContact O-N 3.39Å; L282-L289 HydrophobicContact CB-CD1 4.01Å; L282-L289 HydrophobicContact CB-CD2 4.17Å; L282-L289 HydrophobicContact CD2-CD2 3.79Å; L282-K330 PolarHBondContact O-NZ 3.11Å |
| 283 | L | 89.9 | Confident | 88.1 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -83.3 | -31.5 | -179.6 | -65.7 | -179.2 | 0 | 0 | 0 | 113.2 | L279 N280 E281 L285 L289 L295 L323 L326 K330 Y331 | L279-L283 WeakPolarHBondContact O-CG 3.43Å; L279-L283 PolarHBondContact O-N 2.7Å; L279-L283 VanDerWaalsContact O-N 3.15Å; N280-L283 PolarHBondContact O-N 2.88Å; E281-L283 PolarHBondContact O-N 2.92Å; L283-L285 PolarHBondContact O-N 3.27Å; L283-L289 HydrophobicContact CD2-CD1 3.95Å; L283-L295 HydrophobicContact CD2-CD2 4.24Å; L283-L323 HydrophobicContact CD1-CD1 3.65Å; L283-L326 HydrophobicContact CB-CB 3.88Å; L283-L326 HydrophobicContact CB-CD1 4.25Å; L283-L326 HydrophobicContact CD1-CB 3.94Å; L283-K330 HydrophobicContact CD2-CD 4.24Å; L283-K330 PolarHBondContact O-NZ 3.39Å; L283-Y331 HydrophobicContact CD2-CD2 4.26Å; L283-Y331 HydrophobicContact CD2-CE2 3.64Å |
| 284 | Y | 90.3 | Very high | 87.8 | Confident | 116 Ų | 116 | 43.1 Ų | 43.1 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.9 | -31 | 173.8 | -77.5 | -52.4 | 0 | 0 | 0 | 112.9 | N280 E281 Q286 E322 L326 | N280-Y284 HydrophobicContact CB-CE2 4.33Å; N280-Y284 VanDerWaalsContact O-CD2 3.29Å; N280-Y284 WeakPolarHBondContact O-CD2 3.4Å; N280-Y284 PolarHBondContact O-N 3.49Å; E281-Y284 PolarHBondContact O-N 2.87Å; Y284-Q286 PolarHBondContact O-N 3.47Å; Y284-Q286 VanDerWaalsContact O-N 3.1Å; Y284-E322 PolarHBondContact OH-OE1 3.35Å; Y284-L326 HydrophobicContact CD1-CD1 4.06Å; Y284-L326 HydrophobicContact CD1-CD2 3.78Å; Y284-L326 HydrophobicContact CD2-CD1 4.44Å; Y284-L326 HydrophobicContact CE1-CD1 3.78Å; Y284-L326 HydrophobicContact CE1-CD2 3.61Å; Y284-L326 HydrophobicContact CE1-CG 4.3Å; Y284-L326 HydrophobicContact CE2-CD1 4.17Å; Y284-L326 HydrophobicContact CG-CD1 4.37Å |
| 285 | L | 82 | Confident | 87.7 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 18% | 0.178 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -58 | 117.1 | 170.1 | -62.2 | 174.4 | 0 | 0 | 0 | 109.5 | V242 S243 T247 E281 L283 K287 K330 | V242-L285 HydrophobicContact CG1-CD1 4.24Å; V242-L285 WeakPolarHBondContact O-CD1 3.48Å; S243-L285 WeakPolarHBondContact O-CD2 3.45Å; T247-L285 HydrophobicContact CG2-CD1 3.79Å; E281-L285 PolarHBondContact O-N 3.18Å; L283-L285 PolarHBondContact O-N 3.27Å; L285-K287 PolarHBondContact O-N 3Å; L285-K330 PolarHBondContact O-NZ 2.94Å |
| 286 | Q | 66.8 | Low | 87.4 | Confident | 200 Ų | 200 | 42.5 Ų | 42.5 | 94% | 0.935 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -66.7 | 9.7 | 179.5 | -64.1 | -173.5 | -4.4 | 0 | 0 | 114.4 | Y284 | Y284-Q286 PolarHBondContact O-N 3.47Å; Y284-Q286 VanDerWaalsContact O-N 3.1Å |
| 287 | K | 79.1 | Confident | 87.2 | Confident | 132 Ų | 132 | 44.1 Ų | 44.1 | 57% | 0.574 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -102 | 141.3 | 177.7 | -65 | -178.5 | -178.5 | 176.8 | 0 | 110.9 | T247 L285 L289 K330 | T247-K287 HydrophobicContact CG2-CB 4.16Å; L285-K287 PolarHBondContact O-N 3Å; K287-L289 PolarHBondContact O-N 3.01Å; K287-K330 WeakPolarHBondContact O-CE 3.38Å; K287-K330 PolarHBondContact O-NZ 3.49Å |
| 288 | P | 76.2 | Confident | 87 | Confident | 84 Ų | 84 | 44.4 Ų | 44.4 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -62.7 | 136 | 175.6 | 27 | -33.5 | 0 | 0 | 0 | 110.5 | T247 | T247-P288 PolarHBondContact OG1-O 3.41Š|
| 289 | L | 85 | Confident | 86.9 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 147.4 | 173 | -62.3 | 166.8 | 0 | 0 | 0 | 110.4 | T247 I250 L282 L283 K287 L295 Y331 | T247-L289 HydrophobicContact CG2-CD2 4.01Å; I250-L289 HydrophobicContact CD1-CD2 3.9Å; L282-L289 HydrophobicContact CB-CD1 4.01Å; L282-L289 HydrophobicContact CB-CD2 4.17Å; L282-L289 HydrophobicContact CD2-CD2 3.79Å; L283-L289 HydrophobicContact CD2-CD1 3.95Å; K287-L289 PolarHBondContact O-N 3.01Å; L289-L295 HydrophobicContact CD1-CD2 4.03Å; L289-Y331 VanDerWaalsContact CB-OH 3.3Å; L289-Y331 WeakPolarHBondContact CB-OH 3.44Å; L289-Y331 PolarHBondContact N-OH 3.32Å; L289-Y331 VanDerWaalsContact N-OH 3.11Å |
| 290 | P | 80.4 | Confident | 86.9 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 20% | 0.195 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -64.6 | 153.2 | 166.6 | 33.2 | -37.2 | 0 | 0 | 0 | 109.3 | T247 I250 | T247-P290 WeakPolarHBondContact O-CD 3.36Å; T247-P290 WeakPolarHBondContact O-CG 3.28Å; I250-P290 HydrophobicContact CB-CG 3.93Å; I250-P290 HydrophobicContact CG2-CG 4.44Å; I250-P290 WeakPolarHBondContact O-CG 3.44Å |
| 291 | F | 86.9 | Confident | 86.8 | Confident | 83 Ų | 83 | 47 Ų | 47 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | trans | 61 | 64 | 179.6 | -42.5 | -72.5 | 0 | 0 | 0 | 114.6 | I250 E252 L255 G293 P294 L295 | I250-F291 WeakPolarHBondContact O-CE2 3.47Å; E252-F291 HydrophobicContact CB-CD1 4.26Å; E252-F291 HydrophobicContact CB-CD2 4.07Å; E252-F291 HydrophobicContact CB-CE1 4.29Å; E252-F291 HydrophobicContact CB-CE2 4.11Å; E252-F291 HydrophobicContact CB-CG 4.15Å; E252-F291 HydrophobicContact CB-CZ 4.22Å; E252-F291 HydrophobicContact CG-CG 4.46Å; L255-F291 HydrophobicContact CD2-CB 4.38Å; F291-G293 VanDerWaalsContact C-N 3.33Å; F291-G293 PolarHBondContact O-N 2.94Å; F291-P294 HydrophobicContact CB-CG 4.05Å; F291-P294 WeakPolarHBondContact O-CD 3.38Å; F291-L295 PolarHBondContact O-N 3.27Å | ||
| 292 | P | 85.1 | Confident | 86.8 | Confident | 48 Ų | 48 | 44.5 Ų | 44.5 | 31% | 0.312 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -34.3 | 178 | 26.7 | -34.7 | 0 | 0 | 0 | 113.5 | L295 M296 Y331 K334 | P292-L295 PolarHBondContact O-N 3.06Å; P292-M296 VanDerWaalsContact O-CG 3.25Å; P292-M296 WeakPolarHBondContact O-CG 3.41Å; P292-M296 PolarHBondContact O-N 3.45Å; P292-Y331 HydrophobicContact CB-CE1 4.17Å; P292-K334 HydrophobicContact CB-CD 4.29Å |
| 293 | G | 86.6 | Confident | 86.9 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 34% | 0.34 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.1 | -55.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | F291 L295 M296 G297 | F291-G293 VanDerWaalsContact C-N 3.33Å; F291-G293 PolarHBondContact O-N 2.94Å; G293-L295 VanDerWaalsContact C-N 3.27Å; G293-L295 PolarHBondContact O-N 3.31Å; G293-M296 PolarHBondContact O-N 3.28Å; G293-G297 PolarHBondContact O-N 2.81Å |
| 294 | P | 88.9 | Confident | 87.1 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 21% | 0.214 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.2 | -36.5 | 175.7 | -27 | 34.5 | 0 | 0 | 0 | 113.7 | E252 M256 F291 G298 | E252-P294 HydrophobicContact CG-CG 4.39Å; E252-P294 WeakPolarHBondContact OE1-CG 3.45Å; M256-P294 HydrophobicContact CE-CB 3.3Å; M256-P294 WeakPolarHBondContact CE-O 3.35Å; M256-P294 HydrophobicContact SD-CB 3.98Å; F291-P294 HydrophobicContact CB-CG 4.05Å; F291-P294 WeakPolarHBondContact O-CD 3.38Å; P294-G298 PolarHBondContact O-N 3.08Å |
| 295 | L | 91.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -51.1 | 173.7 | -177.4 | 70.7 | 0 | 0 | 0 | 112.2 | L255 L283 L289 F291 P292 G293 G297 G298 V299 Y331 | L255-L295 HydrophobicContact CD1-CD1 4.22Å; L255-L295 HydrophobicContact CD2-CB 4.22Å; L283-L295 HydrophobicContact CD2-CD2 4.24Å; L289-L295 HydrophobicContact CD1-CD2 4.03Å; F291-L295 PolarHBondContact O-N 3.27Å; P292-L295 PolarHBondContact O-N 3.06Å; G293-L295 VanDerWaalsContact C-N 3.27Å; G293-L295 PolarHBondContact O-N 3.31Å; L295-G297 PolarHBondContact O-N 3.1Å; L295-G298 PolarHBondContact O-N 2.69Å; L295-V299 HydrophobicContact CD1-CG2 4.25Å; L295-V299 WeakPolarHBondContact O-CG2 3.34Å; L295-V299 PolarHBondContact O-N 3.48Å; L295-Y331 HydrophobicContact CD2-CD1 4.32Å; L295-Y331 HydrophobicContact CD2-CD2 4.24Å; L295-Y331 HydrophobicContact CD2-CE1 3.73Å; L295-Y331 HydrophobicContact CD2-CE2 3.66Å |
| 296 | M | 90 | Very high | 87.5 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | -176.5 | -65.4 | -177.7 | -57.5 | 0 | 0 | 111.4 | P292 G293 T300 Y327 K334 L335 E338 L341 | P292-M296 VanDerWaalsContact O-CG 3.25Å; P292-M296 WeakPolarHBondContact O-CG 3.41Å; P292-M296 PolarHBondContact O-N 3.45Å; G293-M296 PolarHBondContact O-N 3.28Å; M296-T300 WeakPolarHBondContact O-CB 3.38Å; M296-T300 PolarHBondContact O-N 3.36Å; M296-T300 VanDerWaalsContact O-N 3.13Å; M296-T300 PolarHBondContact O-OG1 3.34Å; M296-Y327 WeakPolarHBondContact CA-OH 3.35Å; M296-Y327 WeakPolarHBondContact CB-OH 3.41Å; M296-Y327 HydrophobicContact CG-CE2 4.09Å; M296-Y327 WeakPolarHBondContact CG-OH 3.44Å; M296-K334 HydrophobicContact SD-CB 4.24Å; M296-L335 HydrophobicContact SD-CD2 4.18Å; M296-L335 HydrophobicContact SD-CG 4.23Å; M296-E338 WeakPolarHBondContact CE-OE1 3.39Å; M296-E338 WeakPolarHBondContact CE-OE2 3.45Å; M296-L341 HydrophobicContact CB-CD2 3.59Å; M296-L341 HydrophobicContact CE-CD2 4.43Å |
| 297 | G | 89.8 | Confident | 88.6 | Confident | 33 Ų | 33 | 35.7 Ų | 35.7 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G293 L295 T300 S301 | G293-G297 PolarHBondContact O-N 2.81Å; L295-G297 PolarHBondContact O-N 3.1Å; G297-T300 PolarHBondContact O-N 2.94Å; G297-S301 PolarHBondContact O-N 3.33Å |
| 298 | G | 91.1 | Very high | 89 | Confident | 15 Ų | 15 | 35 Ų | 35 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P294 L295 T300 S301 L302 | P294-G298 PolarHBondContact O-N 3.08Å; L295-G298 PolarHBondContact O-N 2.69Å; G298-T300 VanDerWaalsContact C-N 3.32Å; G298-T300 PolarHBondContact O-N 2.96Å; G298-S301 PolarHBondContact O-N 3.31Å; G298-L302 WeakPolarHBondContact O-CG 3.39Å; G298-L302 PolarHBondContact O-N 3.3Å |
| 299 | V | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -38.9 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L295 S301 L302 L303 L324 Y327 F345 | L295-V299 HydrophobicContact CD1-CG2 4.25Å; L295-V299 WeakPolarHBondContact O-CG2 3.34Å; L295-V299 PolarHBondContact O-N 3.48Å; V299-S301 VanDerWaalsContact C-N 3.34Å; V299-S301 PolarHBondContact O-N 2.93Å; V299-L302 PolarHBondContact O-N 3.4Å; V299-L303 PolarHBondContact O-N 3.15Å; V299-L324 HydrophobicContact CG1-CD2 4.03Å; V299-Y327 HydrophobicContact CB-CE1 4.44Å; V299-Y327 HydrophobicContact CB-CE2 4.42Å; V299-Y327 HydrophobicContact CG1-CD1 3.81Å; V299-Y327 HydrophobicContact CG1-CD2 4.46Å; V299-Y327 HydrophobicContact CG1-CE1 3.95Å; V299-Y327 HydrophobicContact CG1-CG 4.06Å; V299-Y327 HydrophobicContact CG2-CD2 4.24Å; V299-Y327 HydrophobicContact CG2-CE2 4.39Å; V299-F345 HydrophobicContact CG1-CE2 4.48Å |
| 300 | T | 92.6 | Very high | 88.8 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 175.8 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | M296 G297 G298 L303 E304 L341 T344 L348 | M296-T300 WeakPolarHBondContact O-CB 3.38Å; M296-T300 PolarHBondContact O-N 3.36Å; M296-T300 VanDerWaalsContact O-N 3.13Å; M296-T300 PolarHBondContact O-OG1 3.34Å; G297-T300 PolarHBondContact O-N 2.94Å; G298-T300 VanDerWaalsContact C-N 3.32Å; G298-T300 PolarHBondContact O-N 2.96Å; T300-L303 PolarHBondContact O-N 3.34Å; T300-E304 PolarHBondContact O-N 3.42Å; T300-L341 HydrophobicContact CG2-CD1 4.33Å; T300-T344 HydrophobicContact CG2-CG2 4.28Å; T300-L348 HydrophobicContact CG2-CD1 3.72Å |
| 301 | S | 92.4 | Very high | 88.6 | Confident | 57 Ų | 57 | 54 Ų | 54 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 112.7 | G297 G298 V299 L303 E304 Q305 | G297-S301 PolarHBondContact O-N 3.33Å; G298-S301 PolarHBondContact O-N 3.31Å; V299-S301 VanDerWaalsContact C-N 3.34Å; V299-S301 PolarHBondContact O-N 2.93Å; S301-L303 VanDerWaalsContact C-N 3.31Å; S301-L303 PolarHBondContact O-N 3.27Å; S301-E304 PolarHBondContact O-N 3.15Å; S301-Q305 WeakPolarHBondContact O-CB 3.43Å; S301-Q305 PolarHBondContact O-N 3.04Å |
| 302 | L | 94.1 | Very high | 88.4 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 174 | -69.5 | 170 | 0 | 0 | 0 | 111.8 | L259 S262 Q263 L279 G298 V299 Q305 H306 F320 L323 | L259-L302 HydrophobicContact CD2-CD1 3.98Å; S262-L302 VanDerWaalsContact OG-CD1 3.26Å; S262-L302 WeakPolarHBondContact OG-CD1 3.3Å; S262-L302 WeakPolarHBondContact OG-CD2 3.39Å; Q263-L302 HydrophobicContact CB-CD2 4.29Å; Q263-L302 HydrophobicContact CG-CD2 3.72Å; L279-L302 HydrophobicContact CD1-CD1 4.4Å; G298-L302 WeakPolarHBondContact O-CG 3.39Å; G298-L302 PolarHBondContact O-N 3.3Å; V299-L302 PolarHBondContact O-N 3.4Å; L302-Q305 PolarHBondContact O-N 3.02Å; L302-H306 WeakPolarHBondContact O-CB 3.44Å; L302-H306 PolarHBondContact O-N 3.46Å; L302-F320 HydrophobicContact CB-CE2 3.64Å; L302-F320 HydrophobicContact CB-CZ 4.05Å; L302-F320 HydrophobicContact CD1-CE2 4.49Å; L302-L323 HydrophobicContact CD1-CD2 4.27Å |
| 303 | L | 93.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | 176.4 | -176.3 | 60.4 | 0 | 0 | 0 | 111.8 | V299 T300 S301 Q305 H306 N307 F320 L324 F345 L348 L349 C352 | V299-L303 PolarHBondContact O-N 3.15Å; T300-L303 PolarHBondContact O-N 3.34Å; S301-L303 VanDerWaalsContact C-N 3.31Å; S301-L303 PolarHBondContact O-N 3.27Å; L303-Q305 VanDerWaalsContact C-N 3.33Å; L303-Q305 PolarHBondContact O-N 3.41Å; L303-H306 WeakPolarHBondContact O-CB 3.38Å; L303-H306 PolarHBondContact O-N 2.87Å; L303-N307 PolarHBondContact O-N 2.81Å; L303-N307 VanDerWaalsContact O-N 3.08Å; L303-F320 HydrophobicContact CB-CZ 4.06Å; L303-F320 HydrophobicContact CD1-CE1 3.86Å; L303-F320 HydrophobicContact CD1-CZ 4.2Å; L303-L324 HydrophobicContact CD1-CD1 4Å; L303-L324 HydrophobicContact CD1-CD2 4.5Å; L303-F345 HydrophobicContact CD2-CD2 3.93Å; L303-F345 HydrophobicContact CD2-CE2 3.7Å; L303-F345 HydrophobicContact CD2-CZ 4.33Å; L303-L348 HydrophobicContact CD2-CB 3.68Å; L303-L348 HydrophobicContact CG-CB 3.9Å; L303-L349 HydrophobicContact CD2-CB 4.22Å; L303-C352 HydrophobicContact CD1-CB 3.93Å |
| 304 | E | 93.4 | Very high | 88.5 | Confident | 101 Ų | 101 | 56.5 Ų | 56.5 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 172.2 | -175.9 | 177.6 | -163 | 0 | 0 | 111.5 | T300 S301 H306 N308 L348 | T300-E304 PolarHBondContact O-N 3.42Å; S301-E304 PolarHBondContact O-N 3.15Å; E304-H306 VanDerWaalsContact C-N 3.33Å; E304-H306 PolarHBondContact O-N 2.96Å; E304-N308 PolarHBondContact O-N 3.35Å; E304-N308 PolarHBondContact O-ND2 3.38Å; E304-L348 HydrophobicContact CB-CD1 3.99Å; E304-L348 HydrophobicContact CB-CD2 4.13Å; E304-L348 HydrophobicContact CG-CD2 4.28Å |
| 305 | Q | 91 | Very high | 88.5 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 176 | -174.9 | -177.6 | 15.5 | 0 | 0 | 112.3 | Q263 W264 S301 L302 L303 N308 N309 | Q263-Q305 VanDerWaalsContact CG-OE1 3.29Å; W264-Q305 PolarHBondContact O-NE2 3.41Å; S301-Q305 WeakPolarHBondContact O-CB 3.43Å; S301-Q305 PolarHBondContact O-N 3.04Å; L302-Q305 PolarHBondContact O-N 3.02Å; L303-Q305 VanDerWaalsContact C-N 3.33Å; L303-Q305 PolarHBondContact O-N 3.41Å; Q305-N308 PolarHBondContact O-N 2.89Å; Q305-N309 WeakPolarHBondContact CG-ND2 3.44Å; Q305-N309 WeakPolarHBondContact O-CB 3.48Å; Q305-N309 PolarHBondContact O-N 3.14Å; Q305-N309 PolarHBondContact O-ND2 2.98Å |
| 306 | H | 89.6 | Confident | 88.6 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 7% | 0.065 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -53.5 | 177 | -179.6 | 81.8 | 0 | 0 | 0 | 110.9 | L302 L303 E304 N308 N309 Q312 F320 | L302-H306 WeakPolarHBondContact O-CB 3.44Å; L302-H306 PolarHBondContact O-N 3.46Å; L303-H306 WeakPolarHBondContact O-CB 3.38Å; L303-H306 PolarHBondContact O-N 2.87Å; E304-H306 VanDerWaalsContact C-N 3.33Å; E304-H306 PolarHBondContact O-N 2.96Å; H306-N308 PolarHBondContact O-N 3.44Å; H306-N309 PolarHBondContact O-N 3.33Å; H306-N309 VanDerWaalsContact O-N 3.07Å; H306-Q312 PolarHBondContact CE1-OE1 3.04Å; H306-Q312 VanDerWaalsContact CE1-OE1 3.22Å; H306-Q312 PolarHBondContact ND1-OE1 2.82Å; H306-F320 HydrophobicContact CB-CD1 4.14Å; H306-F320 HydrophobicContact CB-CE1 3.65Å; H306-F320 HydrophobicContact CB-CZ 4.29Å; H306-F320 AromaticContact CG-CD1 3.77Å; H306-F320 AromaticContact CG-CE1 3.68Å; H306-F320 AromaticContact ND1-CD1 3.67Å |
| 307 | N | 89.3 | Confident | 88.6 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -31.5 | 178.9 | -65.3 | -12.3 | 0 | 0 | 0 | 113.3 | L303 L348 C352 | L303-N307 PolarHBondContact O-N 2.81Å; L303-N307 VanDerWaalsContact O-N 3.08Å; N307-L348 PolarHBondContact ND2-O 2.85Å; N307-C352 WeakPolarHBondContact OD1-CA 3.32Å; N307-C352 VanDerWaalsContact OD1-CB 3.25Å; N307-C352 WeakPolarHBondContact OD1-CB 3.44Å |
| 308 | N | 87.8 | Confident | 88.6 | Confident | 118 Ų | 118 | 63 Ų | 63 | 63% | 0.631 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -78.4 | -19.8 | 179.6 | -74.2 | -37.2 | 0 | 0 | 0 | 113.6 | E304 Q305 H306 | E304-N308 PolarHBondContact O-N 3.35Å; E304-N308 PolarHBondContact O-ND2 3.38Å; Q305-N308 PolarHBondContact O-N 2.89Å; H306-N308 PolarHBondContact O-N 3.44Å |
| 309 | N | 84.6 | Confident | 88.7 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | trans | -113.4 | 100.7 | -171.8 | -74.8 | -57.6 | 0 | 0 | 0 | 112.4 | Q305 H306 R311 Q312 | Q305-N309 WeakPolarHBondContact CG-ND2 3.44Å; Q305-N309 WeakPolarHBondContact O-CB 3.48Å; Q305-N309 PolarHBondContact O-N 3.14Å; Q305-N309 PolarHBondContact O-ND2 2.98Å; H306-N309 PolarHBondContact O-N 3.33Å; H306-N309 VanDerWaalsContact O-N 3.07Å; N309-R311 VanDerWaalsContact C-N 3.33Å; N309-R311 PolarHBondContact O-N 3.28Å; N309-Q312 HydrophobicContact CB-CG 4.33Å; N309-Q312 WeakPolarHBondContact O-CG 3.34Å | ||
| 310 | R | 71.5 | Confident | 88.7 | Confident | 230 Ų | 230 | 65.7 Ų | 65.7 | 87% | 0.868 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -82.1 | 6.5 | -177.5 | -60.8 | -170.1 | 177 | -149.1 | -2.5 | 116.6 | ||
| 311 | R | 77.4 | Confident | 88.7 | Confident | 227 Ų | 227 | 67.6 Ų | 67.6 | 86% | 0.857 | 32% | 0.316 | S | S | * | . | trans | -121.9 | 44 | -176 | -65.7 | -172.3 | -178.9 | -177.9 | 0.6 | 111.7 | W264 N309 | W264-R311 WeakPolarHBondContact CZ2-O 3.43Å; N309-R311 VanDerWaalsContact C-N 3.33Å; N309-R311 PolarHBondContact O-N 3.28Å | ||
| 312 | Q | 83.1 | Confident | 88.7 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 15% | 0.15 | 31% | 0.305 | C | S | . | . | trans | -85 | 151.7 | 177.5 | -61.1 | -170.8 | -5.4 | 0 | 0 | 111 | W264 H306 N309 Y316 | W264-Q312 HydrophobicContact CD2-CB 4.23Å; W264-Q312 HydrophobicContact CD2-CG 3.75Å; W264-Q312 HydrophobicContact CE3-CB 4.39Å; W264-Q312 HydrophobicContact CE3-CG 4.31Å; W264-Q312 HydrophobicContact CG-CG 3.82Å; W264-Q312 HydrophobicContact CZ2-CB 4.41Å; H306-Q312 PolarHBondContact CE1-OE1 3.04Å; H306-Q312 VanDerWaalsContact CE1-OE1 3.22Å; H306-Q312 PolarHBondContact ND1-OE1 2.82Å; N309-Q312 HydrophobicContact CB-CG 4.33Å; N309-Q312 WeakPolarHBondContact O-CG 3.34Å; Q312-Y316 HydrophobicContact CB-CD1 4.36Å; Q312-Y316 VanDerWaalsContact OE1-CD1 3.23Å; Q312-Y316 VanDerWaalsContact OE1-CE1 3.28Å | ||
| 313 | S | 86.2 | Confident | 88.8 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | trans | -71.2 | 141.5 | 171.4 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | E269 M315 Y316 S317 | E269-S313 WeakPolarHBondContact OE1-CB 3.45Å; E269-S313 PolarHBondContact OE1-OG 2.96Å; S313-M315 VanDerWaalsContact C-N 3.26Å; S313-M315 PolarHBondContact O-N 3.21Å; S313-Y316 WeakPolarHBondContact O-CB 3.44Å; S313-Y316 PolarHBondContact O-N 3.07Å; S313-S317 PolarHBondContact O-N 3.17Å; S313-S317 VanDerWaalsContact O-N 3.09Å | ||
| 314 | E | 87.1 | Confident | 88.8 | Confident | 155 Ų | 155 | 66.4 Ų | 66.4 | 72% | 0.724 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -53.6 | -45 | 177 | -173.6 | 176.6 | -176.3 | 0 | 0 | 111.3 | Y316 S317 D318 | E314-Y316 PolarHBondContact O-N 2.92Å; E314-Y316 VanDerWaalsContact O-N 3.15Å; E314-S317 PolarHBondContact O-N 3.1Å; E314-S317 VanDerWaalsContact O-N 3.1Å; E314-D318 PolarHBondContact O-N 2.89Å |
| 315 | M | 89 | Confident | 88.8 | Confident | 113 Ų | 113 | 66.6 Ų | 66.6 | 56% | 0.557 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.5 | -31.3 | 176.6 | -64.6 | -66.4 | -70 | 0 | 0 | 113.4 | L273 S313 K319 | L273-M315 HydrophobicContact CD1-CB 4.43Å; L273-M315 HydrophobicContact CD2-CB 4.22Å; S313-M315 VanDerWaalsContact C-N 3.26Å; S313-M315 PolarHBondContact O-N 3.21Å; M315-K319 WeakPolarHBondContact O-CG 3.47Å; M315-K319 PolarHBondContact O-N 2.88Å |
| 316 | Y | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -76.6 | -45.6 | 177.4 | 177.9 | -83.6 | 0 | 0 | 0 | 110.4 | S262 W264 L273 L276 Q312 S313 E314 D318 K319 F320 | S262-Y316 WeakPolarHBondContact O-CE2 3.21Å; S262-Y316 PolarHBondContact O-OH 2.89Å; S262-Y316 VanDerWaalsContact O-OH 3.06Å; W264-Y316 HydrophobicContact CB-CE1 4.13Å; W264-Y316 HydrophobicContact CB-CE2 4.29Å; W264-Y316 AromaticContact CE3-CD1 3.81Å; W264-Y316 HydrophobicContact CE3-CD1 3.81Å; W264-Y316 AromaticContact CE3-CD2 3.54Å; W264-Y316 HydrophobicContact CE3-CD2 3.54Å; W264-Y316 HydrophobicContact CE3-CE1 4.24Å; W264-Y316 AromaticContact CE3-CE2 3.95Å; W264-Y316 HydrophobicContact CE3-CE2 3.95Å; W264-Y316 AromaticContact CE3-CG 3.46Å; W264-Y316 HydrophobicContact CE3-CG 3.46Å; W264-Y316 VanDerWaalsContact CE3-CG 3.46Å; W264-Y316 HydrophobicContact CZ3-CD1 4.41Å; W264-Y316 HydrophobicContact CZ3-CD2 4.01Å; W264-Y316 AromaticContact CZ3-CG 3.77Å; W264-Y316 HydrophobicContact CZ3-CG 3.77Å; W264-Y316 PolarHBondContact N-OH 2.8Å; L273-Y316 HydrophobicContact CD2-CD2 4.21Å; L273-Y316 HydrophobicContact CD2-CG 4.42Å; L276-Y316 HydrophobicContact CD1-CD1 4.48Å; L276-Y316 HydrophobicContact CD1-CD2 3.43Å; L276-Y316 VanDerWaalsContact CD1-CD2 3.43Å; L276-Y316 HydrophobicContact CD1-CE1 4.29Å; L276-Y316 HydrophobicContact CD1-CE2 3.21Å; L276-Y316 HydrophobicContact CD1-CG 4.09Å; L276-Y316 HydrophobicContact CG-CE2 4.05Å; Q312-Y316 HydrophobicContact CB-CD1 4.36Å; Q312-Y316 VanDerWaalsContact OE1-CD1 3.23Å; Q312-Y316 VanDerWaalsContact OE1-CE1 3.28Å; S313-Y316 WeakPolarHBondContact O-CB 3.44Å; S313-Y316 PolarHBondContact O-N 3.07Å; E314-Y316 PolarHBondContact O-N 2.92Å; E314-Y316 VanDerWaalsContact O-N 3.15Å; Y316-D318 VanDerWaalsContact C-N 3.31Å; Y316-D318 PolarHBondContact O-N 3.34Å; Y316-K319 PolarHBondContact O-N 2.93Å; Y316-F320 HydrophobicContact CE1-CB 4.3Å; Y316-F320 VanDerWaalsContact O-CB 3.24Å; Y316-F320 WeakPolarHBondContact O-CB 3.5Å; Y316-F320 PolarHBondContact O-N 2.72Å |
| 317 | S | 90.1 | Very high | 89 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 26% | 0.259 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 176.3 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | S313 E314 F320 R321 | S313-S317 PolarHBondContact O-N 3.17Å; S313-S317 VanDerWaalsContact O-N 3.09Å; E314-S317 PolarHBondContact O-N 3.1Å; E314-S317 VanDerWaalsContact O-N 3.1Å; S317-F320 PolarHBondContact O-N 3.16Å; S317-R321 WeakPolarHBondContact O-CB 3.41Å; S317-R321 PolarHBondContact O-N 2.92Å |
| 318 | D | 90.8 | Very high | 89 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 177.3 | -71.8 | -27.4 | 0 | 0 | 0 | 112.4 | E314 Y316 F320 R321 E322 | E314-D318 PolarHBondContact O-N 2.89Å; Y316-D318 VanDerWaalsContact C-N 3.31Å; Y316-D318 PolarHBondContact O-N 3.34Å; D318-F320 VanDerWaalsContact C-N 3.27Å; D318-F320 PolarHBondContact O-N 3.16Å; D318-R321 WeakPolarHBondContact O-CB 3.35Å; D318-R321 PolarHBondContact O-N 3.25Å; D318-R321 IonicContact OD1-CZ 2.88Å; D318-R321 IonicContact OD1-NH1 3.86Å; D318-R321 PolarHBondContact OD1-NH1 3.28Å; D318-R321 IonicContact OD1-NH2 3.77Å; D318-R321 PolarHBondContact OD1-NH2 3.18Å; D318-R321 VanDerWaalsContact OD1-NH2 3.15Å; D318-E322 PolarHBondContact O-N 3.5Å |
| 319 | K | 92.3 | Very high | 89.1 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 177.1 | -75.7 | -166.5 | 176.6 | -168.8 | 0 | 112.5 | L273 L276 S277 N280 M315 Y316 L323 | L273-K319 HydrophobicContact CD2-CD 4.24Å; L276-K319 HydrophobicContact CD1-CB 4.31Å; S277-K319 PolarHBondContact OG-NZ 3.19Å; N280-K319 PolarHBondContact ND2-O 3.31Å; N280-K319 VanDerWaalsContact ND2-O 3.08Å; M315-K319 WeakPolarHBondContact O-CG 3.47Å; M315-K319 PolarHBondContact O-N 2.88Å; Y316-K319 PolarHBondContact O-N 2.93Å; K319-L323 PolarHBondContact O-N 2.95Å |
| 320 | F | 94.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.4 | -38.2 | 176.2 | -172.8 | -113.2 | 0 | 0 | 0 | 111.8 | L276 L302 L303 H306 Y316 S317 D318 E322 L323 L324 | L276-F320 HydrophobicContact CD1-CB 4.28Å; L276-F320 HydrophobicContact CD2-CD2 4.11Å; L302-F320 HydrophobicContact CB-CE2 3.64Å; L302-F320 HydrophobicContact CB-CZ 4.05Å; L302-F320 HydrophobicContact CD1-CE2 4.49Å; L303-F320 HydrophobicContact CB-CZ 4.06Å; L303-F320 HydrophobicContact CD1-CE1 3.86Å; L303-F320 HydrophobicContact CD1-CZ 4.2Å; H306-F320 HydrophobicContact CB-CD1 4.14Å; H306-F320 HydrophobicContact CB-CE1 3.65Å; H306-F320 HydrophobicContact CB-CZ 4.29Å; H306-F320 AromaticContact CG-CD1 3.77Å; H306-F320 AromaticContact CG-CE1 3.68Å; H306-F320 AromaticContact ND1-CD1 3.67Å; Y316-F320 HydrophobicContact CE1-CB 4.3Å; Y316-F320 VanDerWaalsContact O-CB 3.24Å; Y316-F320 WeakPolarHBondContact O-CB 3.5Å; Y316-F320 PolarHBondContact O-N 2.72Å; S317-F320 PolarHBondContact O-N 3.16Å; D318-F320 VanDerWaalsContact C-N 3.27Å; D318-F320 PolarHBondContact O-N 3.16Å; F320-E322 VanDerWaalsContact C-N 3.32Å; F320-E322 PolarHBondContact O-N 2.91Å; F320-L323 HydrophobicContact CD2-CD2 3.92Å; F320-L323 HydrophobicContact CE2-CD2 3.92Å; F320-L323 WeakPolarHBondContact O-CB 3.4Å; F320-L323 PolarHBondContact O-N 3.35Å; F320-L324 HydrophobicContact CD1-CD1 4.21Å; F320-L324 HydrophobicContact CE1-CD1 3.82Å; F320-L324 HydrophobicContact CE1-CD2 4.45Å; F320-L324 HydrophobicContact CE1-CG 4.18Å; F320-L324 HydrophobicContact CZ-CD1 4.31Å; F320-L324 HydrophobicContact CZ-CD2 4.1Å; F320-L324 HydrophobicContact CZ-CG 4.23Å; F320-L324 WeakPolarHBondContact O-CG 3.11Å; F320-L324 PolarHBondContact O-N 3.42Å |
| 321 | R | 92.5 | Very high | 90 | Very high | 49 Ų | 49 | 52 Ų | 52 | 19% | 0.185 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58 | -45.7 | 170.8 | -171.1 | 174.1 | 68.5 | -117.3 | -0.4 | 110.8 | S317 D318 L323 L324 R325 D361 E364 I368 | S317-R321 WeakPolarHBondContact O-CB 3.41Å; S317-R321 PolarHBondContact O-N 2.92Å; D318-R321 WeakPolarHBondContact O-CB 3.35Å; D318-R321 PolarHBondContact O-N 3.25Å; D318-R321 IonicContact OD1-CZ 2.88Å; D318-R321 IonicContact OD1-NH1 3.86Å; D318-R321 PolarHBondContact OD1-NH1 3.28Å; D318-R321 IonicContact OD1-NH2 3.77Å; D318-R321 PolarHBondContact OD1-NH2 3.18Å; D318-R321 VanDerWaalsContact OD1-NH2 3.15Å; R321-L323 PolarHBondContact O-N 3.09Å; R321-L324 PolarHBondContact O-N 2.82Å; R321-R325 PolarHBondContact O-N 2.91Å; R321-D361 IonicContact NH1-OD1 2.75Å; R321-E364 IonicContact CZ-OE1 3.27Å; R321-E364 IonicContact CZ-OE2 3.64Å; R321-E364 IonicContact NE-OE1 3.99Å; R321-E364 IonicContact NE-OE2 2.75Å; R321-E364 PolarHBondContact NE-OE2 3.04Å; R321-E364 IonicContact NH1-OE2 3.98Å; R321-E364 PolarHBondContact NH1-OE2 2.82Å; R321-E364 VanDerWaalsContact NH2-CD 3.26Å; R321-E364 IonicContact NH2-OE1 3.05Å; R321-E364 PolarHBondContact NH2-OE1 3.36Å; R321-E364 IonicContact NH2-OE2 2.75Å; R321-E364 PolarHBondContact NH2-OE2 3.48Å; R321-I368 HydrophobicContact CG-CD1 4.04Å |
| 322 | E | 93.7 | Very high | 90.4 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 175.3 | -176.9 | 57.9 | -162.5 | 0 | 0 | 112.3 | Y284 D318 F320 L324 R325 L326 | Y284-E322 PolarHBondContact OH-OE1 3.35Å; D318-E322 PolarHBondContact O-N 3.5Å; F320-E322 VanDerWaalsContact C-N 3.32Å; F320-E322 PolarHBondContact O-N 2.91Å; E322-L324 VanDerWaalsContact C-N 3.33Å; E322-L324 PolarHBondContact O-N 3.27Å; E322-R325 PolarHBondContact O-N 3.38Å; E322-R325 IonicContact OE1-CZ 3.85Å; E322-R325 IonicContact OE1-NE 2.81Å; E322-R325 IonicContact OE1-NH2 2.82Å; E322-R325 PolarHBondContact OE1-NH2 3.08Å; E322-R325 IonicContact OE2-CZ 3.44Å; E322-R325 IonicContact OE2-NE 3.87Å; E322-R325 PolarHBondContact OE2-NE 3.27Å; E322-R325 IonicContact OE2-NH2 3.15Å; E322-R325 PolarHBondContact OE2-NH2 3.3Å; E322-L326 HydrophobicContact CG-CD1 4.03Å; E322-L326 HydrophobicContact CG-CG 4.37Å; E322-L326 WeakPolarHBondContact O-CG 3.39Å; E322-L326 PolarHBondContact O-N 2.73Å; E322-L326 WeakPolarHBondContact OE1-CG 3.45Å |
| 323 | L | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.8 | -49.1 | 174.1 | 179.8 | 71.6 | 0 | 0 | 0 | 111 | L276 L279 N280 L283 L302 K319 F320 R321 R325 L326 Y327 | L276-L323 HydrophobicContact CD2-CD2 3.86Å; L279-L323 HydrophobicContact CB-CD1 3.7Å; L279-L323 HydrophobicContact CD1-CD2 4.44Å; N280-L323 WeakPolarHBondContact OD1-CA 3.29Å; N280-L323 WeakPolarHBondContact OD1-CB 3.39Å; N280-L323 VanDerWaalsContact OD1-CD1 3.25Å; N280-L323 WeakPolarHBondContact OD1-CD1 3.45Å; N280-L323 PolarHBondContact OD1-N 2.95Å; L283-L323 HydrophobicContact CD1-CD1 3.65Å; L302-L323 HydrophobicContact CD1-CD2 4.27Å; K319-L323 PolarHBondContact O-N 2.95Å; F320-L323 HydrophobicContact CD2-CD2 3.92Å; F320-L323 HydrophobicContact CE2-CD2 3.92Å; F320-L323 WeakPolarHBondContact O-CB 3.4Å; F320-L323 PolarHBondContact O-N 3.35Å; R321-L323 PolarHBondContact O-N 3.09Å; L323-R325 PolarHBondContact O-N 2.96Å; L323-L326 PolarHBondContact O-N 3.13Å; L323-Y327 WeakPolarHBondContact O-CB 3.1Å; L323-Y327 PolarHBondContact O-N 2.91Å |
| 324 | L | 94.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 179.2 | -67.3 | 176.1 | 0 | 0 | 0 | 111.3 | V299 L303 F320 R321 E322 Y327 T328 F345 L349 I368 | V299-L324 HydrophobicContact CG1-CD2 4.03Å; L303-L324 HydrophobicContact CD1-CD1 4Å; L303-L324 HydrophobicContact CD1-CD2 4.5Å; F320-L324 HydrophobicContact CD1-CD1 4.21Å; F320-L324 HydrophobicContact CE1-CD1 3.82Å; F320-L324 HydrophobicContact CE1-CD2 4.45Å; F320-L324 HydrophobicContact CE1-CG 4.18Å; F320-L324 HydrophobicContact CZ-CD1 4.31Å; F320-L324 HydrophobicContact CZ-CD2 4.1Å; F320-L324 HydrophobicContact CZ-CG 4.23Å; F320-L324 WeakPolarHBondContact O-CG 3.11Å; F320-L324 PolarHBondContact O-N 3.42Å; R321-L324 PolarHBondContact O-N 2.82Å; E322-L324 VanDerWaalsContact C-N 3.33Å; E322-L324 PolarHBondContact O-N 3.27Å; L324-Y327 PolarHBondContact O-N 2.96Å; L324-T328 VanDerWaalsContact O-CG2 3.3Å; L324-T328 WeakPolarHBondContact O-CG2 3.42Å; L324-T328 PolarHBondContact O-N 3.37Å; L324-T328 PolarHBondContact O-OG1 2.93Å; L324-T328 VanDerWaalsContact O-OG1 3.12Å; L324-F345 HydrophobicContact CD2-CE2 4.21Å; L324-F345 HydrophobicContact CD2-CZ 4.28Å; L324-L349 HydrophobicContact CD1-CD1 4.45Å; L324-I368 HydrophobicContact CB-CD1 3.82Å; L324-I368 HydrophobicContact CB-CG1 4.38Å; L324-I368 HydrophobicContact CB-CG2 4.02Å; L324-I368 HydrophobicContact CD1-CD1 4.08Å |
| 325 | R | 93.2 | Very high | 90.2 | Very high | 106 Ų | 106 | 37.8 Ų | 37.8 | 40% | 0.4 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 177.5 | -170.9 | 179.9 | 72.9 | 151.3 | 3.7 | 112.3 | R321 E322 L323 T328 T329 I368 | R321-R325 PolarHBondContact O-N 2.91Å; E322-R325 PolarHBondContact O-N 3.38Å; E322-R325 IonicContact OE1-CZ 3.85Å; E322-R325 IonicContact OE1-NE 2.81Å; E322-R325 IonicContact OE1-NH2 2.82Å; E322-R325 PolarHBondContact OE1-NH2 3.08Å; E322-R325 IonicContact OE2-CZ 3.44Å; E322-R325 IonicContact OE2-NE 3.87Å; E322-R325 PolarHBondContact OE2-NE 3.27Å; E322-R325 IonicContact OE2-NH2 3.15Å; E322-R325 PolarHBondContact OE2-NH2 3.3Å; L323-R325 PolarHBondContact O-N 2.96Å; R325-T328 PolarHBondContact O-OG1 3.33Å; R325-T329 WeakPolarHBondContact O-CB 3.48Å; R325-T329 PolarHBondContact O-N 2.81Å; R325-T329 VanDerWaalsContact O-N 3.13Å; R325-T329 PolarHBondContact O-OG1 3.06Å; R325-I368 HydrophobicContact CB-CG1 4.49Å |
| 326 | L | 91.9 | Very high | 89.9 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.3 | -67.1 | 173 | 0 | 0 | 0 | 111.4 | N280 L283 Y284 E322 L323 K330 | N280-L326 HydrophobicContact CB-CD1 4.06Å; L283-L326 HydrophobicContact CB-CB 3.88Å; L283-L326 HydrophobicContact CB-CD1 4.25Å; L283-L326 HydrophobicContact CD1-CB 3.94Å; Y284-L326 HydrophobicContact CD1-CD1 4.06Å; Y284-L326 HydrophobicContact CD1-CD2 3.78Å; Y284-L326 HydrophobicContact CD2-CD1 4.44Å; Y284-L326 HydrophobicContact CE1-CD1 3.78Å; Y284-L326 HydrophobicContact CE1-CD2 3.61Å; Y284-L326 HydrophobicContact CE1-CG 4.3Å; Y284-L326 HydrophobicContact CE2-CD1 4.17Å; Y284-L326 HydrophobicContact CG-CD1 4.37Å; E322-L326 HydrophobicContact CG-CD1 4.03Å; E322-L326 HydrophobicContact CG-CG 4.37Å; E322-L326 WeakPolarHBondContact O-CG 3.39Å; E322-L326 PolarHBondContact O-N 2.73Å; E322-L326 WeakPolarHBondContact OE1-CG 3.45Å; L323-L326 PolarHBondContact O-N 3.13Å; L326-K330 WeakPolarHBondContact O-CB 3.49Å; L326-K330 PolarHBondContact O-N 3.04Å |
| 327 | Y | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -51.5 | 179.4 | 171.4 | -110.7 | 0 | 0 | 0 | 111.9 | M296 V299 L323 L324 T329 K330 Y331 L335 F345 | M296-Y327 WeakPolarHBondContact CA-OH 3.35Å; M296-Y327 WeakPolarHBondContact CB-OH 3.41Å; M296-Y327 HydrophobicContact CG-CE2 4.09Å; M296-Y327 WeakPolarHBondContact CG-OH 3.44Å; V299-Y327 HydrophobicContact CB-CE1 4.44Å; V299-Y327 HydrophobicContact CB-CE2 4.42Å; V299-Y327 HydrophobicContact CG1-CD1 3.81Å; V299-Y327 HydrophobicContact CG1-CD2 4.46Å; V299-Y327 HydrophobicContact CG1-CE1 3.95Å; V299-Y327 HydrophobicContact CG1-CG 4.06Å; V299-Y327 HydrophobicContact CG2-CD2 4.24Å; V299-Y327 HydrophobicContact CG2-CE2 4.39Å; L323-Y327 WeakPolarHBondContact O-CB 3.1Å; L323-Y327 PolarHBondContact O-N 2.91Å; L324-Y327 PolarHBondContact O-N 2.96Å; Y327-T329 VanDerWaalsContact C-N 3.33Å; Y327-T329 PolarHBondContact O-N 2.9Å; Y327-K330 PolarHBondContact O-N 2.96Å; Y327-Y331 HydrophobicContact CD2-CD2 4.09Å; Y327-Y331 HydrophobicContact CD2-CG 4.19Å; Y327-Y331 HydrophobicContact CE2-CD2 4.47Å; Y327-Y331 HydrophobicContact CE2-CG 4.13Å; Y327-Y331 WeakPolarHBondContact O-CA 3.32Å; Y327-Y331 WeakPolarHBondContact O-CB 3.47Å; Y327-Y331 PolarHBondContact O-N 2.92Å; Y327-L335 HydrophobicContact CE1-CD1 3.72Å; Y327-L335 WeakPolarHBondContact OH-CD2 3.43Å; Y327-F345 HydrophobicContact CD1-CE2 4.23Å; Y327-F345 HydrophobicContact CD1-CZ 4.06Å; Y327-F345 HydrophobicContact CE1-CD2 4.34Å; Y327-F345 HydrophobicContact CE1-CE1 4.48Å; Y327-F345 AromaticContact CE1-CE2 3.76Å; Y327-F345 HydrophobicContact CE1-CE2 3.76Å; Y327-F345 AromaticContact CE1-CZ 3.85Å; Y327-F345 HydrophobicContact CE1-CZ 3.85Å |
| 328 | T | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -37.9 | -179.1 | 60 | 0 | 0 | 0 | 0 | 111.3 | L324 R325 K330 A332 F345 I368 I372 | L324-T328 VanDerWaalsContact O-CG2 3.3Å; L324-T328 WeakPolarHBondContact O-CG2 3.42Å; L324-T328 PolarHBondContact O-N 3.37Å; L324-T328 PolarHBondContact O-OG1 2.93Å; L324-T328 VanDerWaalsContact O-OG1 3.12Å; R325-T328 PolarHBondContact O-OG1 3.33Å; T328-K330 PolarHBondContact O-N 3.37Å; T328-A332 WeakPolarHBondContact O-CB 3.37Å; T328-A332 PolarHBondContact O-N 3.33Å; T328-A332 VanDerWaalsContact O-N 3.07Å; T328-F345 HydrophobicContact CG2-CE1 4.11Å; T328-F345 HydrophobicContact CG2-CZ 4.08Å; T328-I368 HydrophobicContact CG2-CG2 3.7Å; T328-I368 PolarHBondContact OG1-O 3.03Å; T328-I372 HydrophobicContact CG2-CD1 3.66Å; T328-I372 HydrophobicContact CG2-CG1 3.95Å |
| 329 | T | 89.5 | Confident | 89 | Confident | 94 Ų | 94 | 41.2 Ų | 41.2 | 58% | 0.577 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.6 | -42.5 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | R325 Y327 | R325-T329 WeakPolarHBondContact O-CB 3.48Å; R325-T329 PolarHBondContact O-N 2.81Å; R325-T329 VanDerWaalsContact O-N 3.13Å; R325-T329 PolarHBondContact O-OG1 3.06Å; Y327-T329 VanDerWaalsContact C-N 3.33Å; Y327-T329 PolarHBondContact O-N 2.9Å |
| 330 | K | 87.7 | Confident | 88.8 | Confident | 56 Ų | 56 | 42.9 Ų | 42.9 | 24% | 0.243 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -89.7 | -32.1 | -174.1 | -174.8 | 173.6 | 171.6 | 179 | 0 | 114 | L282 L283 L285 K287 L326 Y327 T328 | L282-K330 PolarHBondContact O-NZ 3.11Å; L283-K330 HydrophobicContact CD2-CD 4.24Å; L283-K330 PolarHBondContact O-NZ 3.39Å; L285-K330 PolarHBondContact O-NZ 2.94Å; K287-K330 WeakPolarHBondContact O-CE 3.38Å; K287-K330 PolarHBondContact O-NZ 3.49Å; L326-K330 WeakPolarHBondContact O-CB 3.49Å; L326-K330 PolarHBondContact O-N 3.04Å; Y327-K330 PolarHBondContact O-N 2.96Å; T328-K330 PolarHBondContact O-N 3.37Å |
| 331 | Y | 87.1 | Confident | 88.5 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -113.6 | -0.7 | -171.3 | -72.2 | -99.1 | 0 | 0 | 0 | 114.7 | L283 L289 P292 L295 Y327 A333 K334 L335 | L283-Y331 HydrophobicContact CD2-CD2 4.26Å; L283-Y331 HydrophobicContact CD2-CE2 3.64Å; L289-Y331 VanDerWaalsContact CB-OH 3.3Å; L289-Y331 WeakPolarHBondContact CB-OH 3.44Å; L289-Y331 PolarHBondContact N-OH 3.32Å; L289-Y331 VanDerWaalsContact N-OH 3.11Å; P292-Y331 HydrophobicContact CB-CE1 4.17Å; L295-Y331 HydrophobicContact CD2-CD1 4.32Å; L295-Y331 HydrophobicContact CD2-CD2 4.24Å; L295-Y331 HydrophobicContact CD2-CE1 3.73Å; L295-Y331 HydrophobicContact CD2-CE2 3.66Å; Y327-Y331 HydrophobicContact CD2-CD2 4.09Å; Y327-Y331 HydrophobicContact CD2-CG 4.19Å; Y327-Y331 HydrophobicContact CE2-CD2 4.47Å; Y327-Y331 HydrophobicContact CE2-CG 4.13Å; Y327-Y331 WeakPolarHBondContact O-CA 3.32Å; Y327-Y331 WeakPolarHBondContact O-CB 3.47Å; Y327-Y331 PolarHBondContact O-N 2.92Å; Y331-A333 VanDerWaalsContact C-N 3.3Å; Y331-A333 PolarHBondContact O-N 3.4Å; Y331-K334 HydrophobicContact CD1-CB 4.46Å; Y331-K334 HydrophobicContact CD1-CD 3.71Å; Y331-K334 HydrophobicContact CE1-CD 3.98Å; Y331-K334 PolarHBondContact O-N 2.9Å; Y331-L335 PolarHBondContact O-N 2.64Å |
| 332 | A | 84.8 | Confident | 88.4 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -49.5 | -47.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | T328 K334 L335 M336 | T328-A332 WeakPolarHBondContact O-CB 3.37Å; T328-A332 PolarHBondContact O-N 3.33Å; T328-A332 VanDerWaalsContact O-N 3.07Å; A332-K334 VanDerWaalsContact C-N 3.27Å; A332-K334 PolarHBondContact O-N 3.09Å; A332-L335 WeakPolarHBondContact O-CB 3.49Å; A332-L335 PolarHBondContact O-N 2.92Å; A332-M336 VanDerWaalsContact O-CG 3.32Å; A332-M336 WeakPolarHBondContact O-CG 3.42Å; A332-M336 PolarHBondContact O-N 2.91Å; A332-M336 VanDerWaalsContact O-N 3.09Å |
| 333 | A | 84.3 | Confident | 88.2 | Confident | 72 Ų | 72 | 44.1 Ų | 44.1 | 60% | 0.595 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.2 | -31 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y331 | Y331-A333 VanDerWaalsContact C-N 3.3Å; Y331-A333 PolarHBondContact O-N 3.4Å |
| 334 | K | 85.1 | Confident | 88.1 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 27% | 0.274 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -77.8 | -41.1 | 176.5 | -71.8 | -178.8 | 176.9 | 179.1 | 0 | 111.3 | P292 M296 Y331 A332 M336 Q337 | P292-K334 HydrophobicContact CB-CD 4.29Å; M296-K334 HydrophobicContact SD-CB 4.24Å; Y331-K334 HydrophobicContact CD1-CB 4.46Å; Y331-K334 HydrophobicContact CD1-CD 3.71Å; Y331-K334 HydrophobicContact CE1-CD 3.98Å; Y331-K334 PolarHBondContact O-N 2.9Å; A332-K334 VanDerWaalsContact C-N 3.27Å; A332-K334 PolarHBondContact O-N 3.09Å; K334-M336 PolarHBondContact O-N 3.38Å; K334-Q337 VanDerWaalsContact O-CB 3.28Å; K334-Q337 WeakPolarHBondContact O-CB 3.39Å; K334-Q337 PolarHBondContact O-N 2.97Å |
| 335 | L | 83.5 | Confident | 88.1 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.6 | -36.9 | 172.5 | -82.6 | 166 | 0 | 0 | 0 | 112.1 | M296 Y327 Y331 A332 Q337 E338 L341 L342 | M296-L335 HydrophobicContact SD-CD2 4.18Å; M296-L335 HydrophobicContact SD-CG 4.23Å; Y327-L335 HydrophobicContact CE1-CD1 3.72Å; Y327-L335 WeakPolarHBondContact OH-CD2 3.43Å; Y331-L335 PolarHBondContact O-N 2.64Å; A332-L335 WeakPolarHBondContact O-CB 3.49Å; A332-L335 PolarHBondContact O-N 2.92Å; L335-Q337 PolarHBondContact O-N 3.38Å; L335-Q337 VanDerWaalsContact O-N 3.16Å; L335-E338 CarbonylContact O-C 3.59Å; L335-E338 PolarHBondContact O-N 3.35Å; L335-L341 HydrophobicContact CD2-CD2 4.31Å; L335-L341 HydrophobicContact CD2-CG 4.48Å; L335-L342 HydrophobicContact CB-CD1 4.22Å |
| 336 | M | 82.1 | Confident | 88.1 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.3 | 175.6 | -66.6 | -59.6 | -64.2 | 0 | 0 | 114.4 | A332 K334 L342 I376 H379 K382 Y386 | A332-M336 VanDerWaalsContact O-CG 3.32Å; A332-M336 WeakPolarHBondContact O-CG 3.42Å; A332-M336 PolarHBondContact O-N 2.91Å; A332-M336 VanDerWaalsContact O-N 3.09Å; K334-M336 PolarHBondContact O-N 3.38Å; M336-L342 HydrophobicContact CE-CD2 4.46Å; M336-L342 HydrophobicContact CG-CD2 4.46Å; M336-L342 HydrophobicContact SD-CD2 3.3Å; M336-L342 WeakPolarHBondContact SD-CD2 3.4Å; M336-I376 HydrophobicContact CE-CB 4.46Å; M336-I376 HydrophobicContact CE-CG1 3.94Å; M336-I376 HydrophobicContact SD-CG1 3.74Å; M336-H379 HydrophobicContact CE-CB 4.49Å; M336-K382 PolarHBondContact O-NZ 3.36Å; M336-K382 VanDerWaalsContact O-NZ 3.16Å; M336-Y386 HydrophobicContact CE-CE2 4.41Å |
| 337 | Q | 85.3 | Confident | 88.1 | Confident | 149 Ų | 149 | 44.3 Ų | 44.3 | 70% | 0.696 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -22.5 | 175.2 | -57.4 | 177.8 | 12.3 | 0 | 0 | 111.9 | K334 L335 P339 | K334-Q337 VanDerWaalsContact O-CB 3.28Å; K334-Q337 WeakPolarHBondContact O-CB 3.39Å; K334-Q337 PolarHBondContact O-N 2.97Å; L335-Q337 PolarHBondContact O-N 3.38Å; L335-Q337 VanDerWaalsContact O-N 3.16Å; Q337-P339 VanDerWaalsContact O-CD 3.31Å; Q337-P339 WeakPolarHBondContact O-CD 3.21Å |
| 338 | E | 86.4 | Confident | 88.2 | Confident | 87 Ų | 87 | 45.7 Ų | 45.7 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -114.5 | 80.4 | 178.9 | -67.5 | -173.5 | -172.4 | 0 | 0 | 110.4 | M296 L335 D340 L341 L342 | M296-E338 WeakPolarHBondContact CE-OE1 3.39Å; M296-E338 WeakPolarHBondContact CE-OE2 3.45Å; L335-E338 CarbonylContact O-C 3.59Å; L335-E338 PolarHBondContact O-N 3.35Å; E338-D340 VanDerWaalsContact C-N 3.32Å; E338-D340 PolarHBondContact O-N 3.17Å; E338-L341 HydrophobicContact CB-CB 4.19Å; E338-L341 PolarHBondContact O-N 3.4Å; E338-L341 WeakPolarHBondContact OE2-CD2 3.41Å; E338-L342 PolarHBondContact O-N 3.15Å; E338-L342 VanDerWaalsContact O-N 3.08Å |
| 339 | P | 83.6 | Confident | 88.4 | Confident | 38 Ų | 38 | 45.7 Ų | 45.7 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70 | -26.4 | -164.4 | 30.4 | -38.4 | 0 | 0 | 0 | 114 | Q337 E343 Y386 | Q337-P339 VanDerWaalsContact O-CD 3.31Å; Q337-P339 WeakPolarHBondContact O-CD 3.21Å; P339-E343 PolarHBondContact O-N 3.45Å; P339-E343 VanDerWaalsContact O-N 3.11Å; P339-Y386 WeakPolarHBondContact CA-OH 3.32Å; P339-Y386 VanDerWaalsContact CB-OH 3.28Å; P339-Y386 WeakPolarHBondContact CB-OH 3.48Å; P339-Y386 PolarHBondContact O-OH 3.46Å |
| 340 | D | 87.7 | Confident | 88.6 | Confident | 105 Ų | 105 | 43.2 Ų | 43.2 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -71.4 | -44.7 | 177.3 | -57.1 | -22.9 | 0 | 0 | 0 | 110.8 | E338 E343 T344 R385 | E338-D340 VanDerWaalsContact C-N 3.32Å; E338-D340 PolarHBondContact O-N 3.17Å; D340-E343 PolarHBondContact O-N 3.09Å; D340-T344 PolarHBondContact O-N 3Å; D340-T344 VanDerWaalsContact O-N 3.12Å; D340-T344 PolarHBondContact O-OG1 3.3Å; D340-R385 IonicContact OD1-CZ 2.8Å; D340-R385 IonicContact OD1-NH1 3.72Å; D340-R385 PolarHBondContact OD1-NH1 3.31Å; D340-R385 IonicContact OD1-NH2 2.66Å; D340-R385 PolarHBondContact OD1-NH2 3.22Å |
| 341 | L | 88.5 | Confident | 88.8 | Confident | 39 Ų | 39 | 43 Ų | 43 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 176.5 | -175.6 | 67.1 | 0 | 0 | 0 | 111.2 | M296 T300 L335 E338 E343 T344 F345 | M296-L341 HydrophobicContact CB-CD2 3.59Å; M296-L341 HydrophobicContact CE-CD2 4.43Å; T300-L341 HydrophobicContact CG2-CD1 4.33Å; L335-L341 HydrophobicContact CD2-CD2 4.31Å; L335-L341 HydrophobicContact CD2-CG 4.48Å; E338-L341 HydrophobicContact CB-CB 4.19Å; E338-L341 PolarHBondContact O-N 3.4Å; E338-L341 WeakPolarHBondContact OE2-CD2 3.41Å; L341-E343 VanDerWaalsContact C-N 3.35Å; L341-E343 PolarHBondContact O-N 2.87Å; L341-T344 PolarHBondContact O-N 2.83Å; L341-F345 VanDerWaalsContact O-CB 3.32Å; L341-F345 WeakPolarHBondContact O-CB 3.38Å; L341-F345 PolarHBondContact O-N 2.9Å |
| 342 | L | 90 | Very high | 89 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 175.7 | 176.8 | 59.9 | 0 | 0 | 0 | 111.7 | L335 M336 E338 F345 L346 I372 Y386 | L335-L342 HydrophobicContact CB-CD1 4.22Å; M336-L342 HydrophobicContact CE-CD2 4.46Å; M336-L342 HydrophobicContact CG-CD2 4.46Å; M336-L342 HydrophobicContact SD-CD2 3.3Å; M336-L342 WeakPolarHBondContact SD-CD2 3.4Å; E338-L342 PolarHBondContact O-N 3.15Å; E338-L342 VanDerWaalsContact O-N 3.08Å; L342-F345 PolarHBondContact O-N 3.47Å; L342-L346 HydrophobicContact CD1-CD1 4.12Å; L342-L346 HydrophobicContact CD1-CD2 4.21Å; L342-L346 HydrophobicContact CD1-CG 3.83Å; L342-L346 HydrophobicContact CG-CD1 4.05Å; L342-L346 HydrophobicContact CG-CG 4.2Å; L342-L346 WeakPolarHBondContact O-CB 3.37Å; L342-L346 WeakPolarHBondContact O-CG 3.37Å; L342-L346 PolarHBondContact O-N 3.4Å; L342-I372 HydrophobicContact CD1-CG2 4.4Å; L342-Y386 HydrophobicContact CD2-CE1 4.17Å; L342-Y386 HydrophobicContact CD2-CE2 4.09Å; L342-Y386 HydrophobicContact CG-CE1 4.17Å |
| 343 | E | 90.3 | Very high | 89.3 | Confident | 69 Ų | 69 | 42.7 Ų | 42.7 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 177.6 | -171.9 | 174.9 | 169.6 | 0 | 0 | 111.9 | P339 D340 L341 L346 N347 R385 Y386 | P339-E343 PolarHBondContact O-N 3.45Å; P339-E343 VanDerWaalsContact O-N 3.11Å; D340-E343 PolarHBondContact O-N 3.09Å; L341-E343 VanDerWaalsContact C-N 3.35Å; L341-E343 PolarHBondContact O-N 2.87Å; E343-L346 PolarHBondContact O-N 3.49Å; E343-N347 PolarHBondContact O-N 3.49Å; E343-N347 VanDerWaalsContact O-N 3.13Å; E343-N347 PolarHBondContact O-ND2 3.22Å; E343-R385 IonicContact OE2-CZ 3.78Å; E343-R385 VanDerWaalsContact OE2-CZ 3.27Å; E343-R385 IonicContact OE2-NE 3.55Å; E343-R385 PolarHBondContact OE2-NE 3.33Å; E343-R385 IonicContact OE2-NH2 2.7Å; E343-R385 PolarHBondContact OE2-NH2 2.99Å; E343-Y386 HydrophobicContact CB-CE1 4.19Å |
| 344 | T | 91.8 | Very high | 89.5 | Confident | 74 Ų | 74 | 41.1 Ų | 41.1 | 45% | 0.454 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 173.4 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | T300 D340 L341 L346 N347 L348 | T300-T344 HydrophobicContact CG2-CG2 4.28Å; D340-T344 PolarHBondContact O-N 3Å; D340-T344 VanDerWaalsContact O-N 3.12Å; D340-T344 PolarHBondContact O-OG1 3.3Å; L341-T344 PolarHBondContact O-N 2.83Å; T344-L346 PolarHBondContact O-N 3.29Å; T344-N347 PolarHBondContact O-N 3.33Å; T344-L348 HydrophobicContact CG2-CD1 4.07Å; T344-L348 WeakPolarHBondContact O-CG 3.39Å; T344-L348 PolarHBondContact O-N 3.47Å |
| 345 | F | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 178.8 | 179.6 | -96.4 | 0 | 0 | 0 | 112.3 | V299 L303 L324 Y327 T328 L341 L342 N347 L348 L349 I372 | V299-F345 HydrophobicContact CG1-CE2 4.48Å; L303-F345 HydrophobicContact CD2-CD2 3.93Å; L303-F345 HydrophobicContact CD2-CE2 3.7Å; L303-F345 HydrophobicContact CD2-CZ 4.33Å; L324-F345 HydrophobicContact CD2-CE2 4.21Å; L324-F345 HydrophobicContact CD2-CZ 4.28Å; Y327-F345 HydrophobicContact CD1-CE2 4.23Å; Y327-F345 HydrophobicContact CD1-CZ 4.06Å; Y327-F345 HydrophobicContact CE1-CD2 4.34Å; Y327-F345 HydrophobicContact CE1-CE1 4.48Å; Y327-F345 AromaticContact CE1-CE2 3.76Å; Y327-F345 HydrophobicContact CE1-CE2 3.76Å; Y327-F345 AromaticContact CE1-CZ 3.85Å; Y327-F345 HydrophobicContact CE1-CZ 3.85Å; T328-F345 HydrophobicContact CG2-CE1 4.11Å; T328-F345 HydrophobicContact CG2-CZ 4.08Å; L341-F345 VanDerWaalsContact O-CB 3.32Å; L341-F345 WeakPolarHBondContact O-CB 3.38Å; L341-F345 PolarHBondContact O-N 2.9Å; L342-F345 PolarHBondContact O-N 3.47Å; F345-N347 PolarHBondContact O-N 3.46Å; F345-L348 PolarHBondContact O-N 2.89Å; F345-L349 HydrophobicContact CE1-CB 4.48Å; F345-L349 HydrophobicContact CE1-CD2 4.08Å; F345-L349 VanDerWaalsContact O-CB 3.3Å; F345-L349 WeakPolarHBondContact O-CB 3.19Å; F345-L349 PolarHBondContact O-N 2.79Å; F345-I372 HydrophobicContact CE1-CD1 3.9Å |
| 346 | L | 93.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.6 | -73.8 | 179.5 | 0 | 0 | 0 | 112.5 | L342 E343 T344 L349 Y350 W369 I372 I376 Y386 V389 | L342-L346 HydrophobicContact CD1-CD1 4.12Å; L342-L346 HydrophobicContact CD1-CD2 4.21Å; L342-L346 HydrophobicContact CD1-CG 3.83Å; L342-L346 HydrophobicContact CG-CD1 4.05Å; L342-L346 HydrophobicContact CG-CG 4.2Å; L342-L346 WeakPolarHBondContact O-CB 3.37Å; L342-L346 WeakPolarHBondContact O-CG 3.37Å; L342-L346 PolarHBondContact O-N 3.4Å; E343-L346 PolarHBondContact O-N 3.49Å; T344-L346 PolarHBondContact O-N 3.29Å; L346-L349 PolarHBondContact O-N 2.99Å; L346-Y350 WeakPolarHBondContact O-CB 3.37Å; L346-Y350 PolarHBondContact O-N 3.09Å; L346-W369 HydrophobicContact CD2-CE3 4.34Å; L346-W369 HydrophobicContact CD2-CH2 4.26Å; L346-W369 HydrophobicContact CD2-CZ3 3.68Å; L346-I372 HydrophobicContact CD2-CD1 4.27Å; L346-I372 HydrophobicContact CD2-CG2 3.92Å; L346-I376 HydrophobicContact CD1-CD1 4.48Å; L346-Y386 HydrophobicContact CD1-CD1 3.67Å; L346-Y386 HydrophobicContact CD1-CE1 4.29Å; L346-Y386 HydrophobicContact CD1-CG 4.03Å; L346-V389 HydrophobicContact CB-CG1 4.31Å |
| 347 | N | 93.3 | Very high | 88.9 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 34% | 0.342 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 176.3 | -73.7 | -52 | 0 | 0 | 0 | 112 | E343 T344 F345 S351 V389 | E343-N347 PolarHBondContact O-N 3.49Å; E343-N347 VanDerWaalsContact O-N 3.13Å; E343-N347 PolarHBondContact O-ND2 3.22Å; T344-N347 PolarHBondContact O-N 3.33Å; F345-N347 PolarHBondContact O-N 3.46Å; N347-S351 PolarHBondContact O-N 3.43Å; N347-S351 VanDerWaalsContact O-N 3.11Å; N347-S351 PolarHBondContact O-OG 3.21Å; N347-V389 WeakPolarHBondContact OD1-CG2 3.49Å |
| 348 | L | 93.6 | Very high | 88.9 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.6 | -40.1 | 174.8 | -68.9 | 173.4 | 0 | 0 | 0 | 111.6 | T300 L303 E304 N307 T344 F345 S351 C352 | T300-L348 HydrophobicContact CG2-CD1 3.72Å; L303-L348 HydrophobicContact CD2-CB 3.68Å; L303-L348 HydrophobicContact CG-CB 3.9Å; E304-L348 HydrophobicContact CB-CD1 3.99Å; E304-L348 HydrophobicContact CB-CD2 4.13Å; E304-L348 HydrophobicContact CG-CD2 4.28Å; N307-L348 PolarHBondContact ND2-O 2.85Å; T344-L348 HydrophobicContact CG2-CD1 4.07Å; T344-L348 WeakPolarHBondContact O-CG 3.39Å; T344-L348 PolarHBondContact O-N 3.47Å; F345-L348 PolarHBondContact O-N 2.89Å; L348-S351 WeakPolarHBondContact O-CB 3.38Å; L348-S351 PolarHBondContact O-N 2.97Å; L348-C352 PolarHBondContact O-N 3.44Å |
| 349 | L | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 177.4 | -176.7 | 64.9 | 0 | 0 | 0 | 111 | L303 L324 F345 L346 S351 C352 T353 I368 W369 I372 | L303-L349 HydrophobicContact CD2-CB 4.22Å; L324-L349 HydrophobicContact CD1-CD1 4.45Å; F345-L349 HydrophobicContact CE1-CB 4.48Å; F345-L349 HydrophobicContact CE1-CD2 4.08Å; F345-L349 VanDerWaalsContact O-CB 3.3Å; F345-L349 WeakPolarHBondContact O-CB 3.19Å; F345-L349 PolarHBondContact O-N 2.79Å; L346-L349 PolarHBondContact O-N 2.99Å; L349-S351 VanDerWaalsContact C-N 3.35Å; L349-C352 WeakPolarHBondContact O-CB 3.42Å; L349-C352 PolarHBondContact O-N 2.98Å; L349-T353 WeakPolarHBondContact O-CB 3.31Å; L349-T353 PolarHBondContact O-N 3.43Å; L349-T353 PolarHBondContact O-OG1 3.01Å; L349-I368 HydrophobicContact CD1-CG2 3.96Å; L349-I368 HydrophobicContact CD2-CG2 4.17Å; L349-W369 HydrophobicContact CB-CH2 4.33Å; L349-W369 HydrophobicContact CB-CZ2 3.98Å; L349-W369 HydrophobicContact CD2-CD2 3.8Å; L349-W369 HydrophobicContact CD2-CE3 4.19Å; L349-W369 HydrophobicContact CD2-CG 4.29Å; L349-W369 HydrophobicContact CD2-CH2 4.15Å; L349-W369 HydrophobicContact CD2-CZ2 3.75Å; L349-W369 HydrophobicContact CD2-CZ3 4.37Å; L349-W369 HydrophobicContact CG-CD2 4.41Å; L349-W369 HydrophobicContact CG-CH2 4.26Å; L349-W369 HydrophobicContact CG-CZ2 3.57Å; L349-I372 HydrophobicContact CD2-CD1 3.73Å |
| 350 | Y | 94.6 | Very high | 88.9 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 17% | 0.169 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 173.2 | 177.9 | -100 | 0 | 0 | 0 | 111.1 | L346 C352 T353 T354 V389 Q392 E396 | L346-Y350 WeakPolarHBondContact O-CB 3.37Å; L346-Y350 PolarHBondContact O-N 3.09Å; Y350-C352 VanDerWaalsContact C-N 3.33Å; Y350-C352 PolarHBondContact O-N 3.33Å; Y350-T353 PolarHBondContact O-N 2.99Å; Y350-T353 VanDerWaalsContact O-N 3.12Å; Y350-T354 HydrophobicContact CD1-CG2 4.16Å; Y350-T354 HydrophobicContact CD2-CG2 4.22Å; Y350-T354 HydrophobicContact CE1-CG2 3.71Å; Y350-T354 HydrophobicContact CE2-CG2 3.77Å; Y350-T354 HydrophobicContact CG-CG2 4.39Å; Y350-T354 VanDerWaalsContact CZ-CG2 3.49Å; Y350-T354 VanDerWaalsContact O-CG2 3.29Å; Y350-T354 WeakPolarHBondContact O-CG2 3.3Å; Y350-T354 PolarHBondContact O-N 3.36Å; Y350-T354 PolarHBondContact O-OG1 3.28Å; Y350-V389 HydrophobicContact CG-CG1 4.44Å; Y350-Q392 HydrophobicContact CD2-CB 4.4Å; Y350-Q392 HydrophobicContact CE1-CB 4.37Å; Y350-Q392 HydrophobicContact CE2-CB 3.71Å; Y350-E396 HydrophobicContact CE2-CB 4.22Å |
| 351 | S | 92.4 | Very high | 88.9 | Confident | 51 Ų | 51 | 40 Ų | 40 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.8 | -46.7 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | N347 L348 L349 T353 T354 E355 | N347-S351 PolarHBondContact O-N 3.43Å; N347-S351 VanDerWaalsContact O-N 3.11Å; N347-S351 PolarHBondContact O-OG 3.21Å; L348-S351 WeakPolarHBondContact O-CB 3.38Å; L348-S351 PolarHBondContact O-N 2.97Å; L349-S351 VanDerWaalsContact C-N 3.35Å; S351-T353 VanDerWaalsContact C-N 3.35Å; S351-T353 PolarHBondContact O-N 3.37Å; S351-T354 PolarHBondContact O-N 3.44Å; S351-T354 PolarHBondContact O-OG1 3.33Å; S351-E355 WeakPolarHBondContact O-CG 3.43Å |
| 352 | C | 91 | Very high | 89 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 176.2 | -179 | 0 | 0 | 0 | 0 | 113 | L303 N307 L348 L349 Y350 E355 K365 | L303-C352 HydrophobicContact CD1-CB 3.93Å; N307-C352 WeakPolarHBondContact OD1-CA 3.32Å; N307-C352 VanDerWaalsContact OD1-CB 3.25Å; N307-C352 WeakPolarHBondContact OD1-CB 3.44Å; L348-C352 PolarHBondContact O-N 3.44Å; L349-C352 WeakPolarHBondContact O-CB 3.42Å; L349-C352 PolarHBondContact O-N 2.98Å; Y350-C352 VanDerWaalsContact C-N 3.33Å; Y350-C352 PolarHBondContact O-N 3.33Å; C352-E355 PolarHBondContact O-N 2.94Å; C352-K365 PolarHBondContact O-NZ 2.97Å |
| 353 | T | 91.3 | Very high | 89 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.5 | -35.4 | -179.4 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | L349 Y350 S351 E355 F362 K365 L366 W369 | L349-T353 WeakPolarHBondContact O-CB 3.31Å; L349-T353 PolarHBondContact O-N 3.43Å; L349-T353 PolarHBondContact O-OG1 3.01Å; Y350-T353 PolarHBondContact O-N 2.99Å; Y350-T353 VanDerWaalsContact O-N 3.12Å; S351-T353 VanDerWaalsContact C-N 3.35Å; S351-T353 PolarHBondContact O-N 3.37Å; T353-E355 VanDerWaalsContact C-N 3.3Å; T353-E355 PolarHBondContact O-N 3.43Å; T353-F362 HydrophobicContact CG2-CD2 4.11Å; T353-F362 HydrophobicContact CG2-CE2 3.83Å; T353-K365 HydrophobicContact CG2-CB 4.23Å; T353-L366 HydrophobicContact CG2-CD2 4.23Å; T353-W369 PolarHBondContact OG1-NE1 3.25Å |
| 354 | T | 88.4 | Confident | 88.9 | Confident | 40 Ų | 40 | 38.7 Ų | 38.7 | 25% | 0.245 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.2 | -11.5 | -178.5 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | Y350 S351 L356 E396 | Y350-T354 HydrophobicContact CD1-CG2 4.16Å; Y350-T354 HydrophobicContact CD2-CG2 4.22Å; Y350-T354 HydrophobicContact CE1-CG2 3.71Å; Y350-T354 HydrophobicContact CE2-CG2 3.77Å; Y350-T354 HydrophobicContact CG-CG2 4.39Å; Y350-T354 VanDerWaalsContact CZ-CG2 3.49Å; Y350-T354 VanDerWaalsContact O-CG2 3.29Å; Y350-T354 WeakPolarHBondContact O-CG2 3.3Å; Y350-T354 PolarHBondContact O-N 3.36Å; Y350-T354 PolarHBondContact O-OG1 3.28Å; S351-T354 PolarHBondContact O-N 3.44Å; S351-T354 PolarHBondContact O-OG1 3.33Å; T354-L356 PolarHBondContact O-N 2.94Å; T354-E396 HydrophobicContact CG2-CG 3.92Å |
| 355 | E | 83.8 | Confident | 88.9 | Confident | 43 Ų | 43 | 35.8 Ų | 35.8 | 20% | 0.201 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -67.3 | 130.4 | -179.5 | -59.8 | -168.4 | 158.1 | 0 | 0 | 111.7 | S351 C352 T353 H357 | S351-E355 WeakPolarHBondContact O-CG 3.43Å; C352-E355 PolarHBondContact O-N 2.94Å; T353-E355 VanDerWaalsContact C-N 3.3Å; T353-E355 PolarHBondContact O-N 3.43Å; E355-H357 PolarHBondContact O-N 3.39Å; E355-H357 PolarHBondContact O-ND1 3.19Å; E355-H357 IonicContact OE2-CE1 3.76Å; E355-H357 PolarHBondContact OE2-CE1 2.97Å |
| 356 | L | 74.9 | Confident | 88.8 | Confident | 105 Ų | 105 | 36 Ų | 36 | 55% | 0.55 | 19% | 0.191 | S | C | . | . | trans | -78.6 | 103.2 | -175 | -67.4 | 163.1 | 0 | 0 | 0 | 111.4 | T354 E409 | T354-L356 PolarHBondContact O-N 2.94Å; L356-E409 WeakPolarHBondContact CD2-OE1 3.35Å | ||
| 357 | H | 79.1 | Confident | 88.7 | Confident | 120 Ų | 120 | 40.4 Ų | 40.4 | 56% | 0.556 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -133.3 | 22.5 | 175 | -61.8 | 86.8 | 0 | 0 | 0 | 112 | E355 D361 | E355-H357 PolarHBondContact O-N 3.39Å; E355-H357 PolarHBondContact O-ND1 3.19Å; E355-H357 IonicContact OE2-CE1 3.76Å; E355-H357 PolarHBondContact OE2-CE1 2.97Å; H357-D361 HydrophobicContact CB-CB 4.16Å; H357-D361 WeakPolarHBondContact CB-OD2 3.35Å |
| 358 | G | 84.3 | Confident | 88.8 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 22% | 0.216 | 20% | 0.196 | C | C | . | . | trans | 98 | 171.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F362 R400 E409 | G358-F362 PolarHBondContact O-N 3.13Å; G358-R400 PolarHBondContact O-NH2 3.18Å; G358-R400 VanDerWaalsContact O-NH2 3.07Å; G358-E409 PolarHBondContact N-OE1 3.33Å; G358-E409 VanDerWaalsContact N-OE1 3.15Å | ||
| 359 | A | 85.3 | Confident | 88.8 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.8 | -39.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F362 T363 L410 L413 F436 | A359-F362 WeakPolarHBondContact O-CB 3.31Å; A359-F362 PolarHBondContact O-N 3.36Å; A359-T363 PolarHBondContact O-N 3.28Å; A359-T363 VanDerWaalsContact O-N 3.15Å; A359-T363 PolarHBondContact O-OG1 3.11Å; A359-L410 HydrophobicContact CB-CD2 4.49Å; A359-L413 HydrophobicContact CB-CD1 3.74Å; A359-L413 HydrophobicContact CB-CD2 4.13Å; A359-L413 HydrophobicContact CB-CG 4.17Å; A359-F436 HydrophobicContact CB-CD2 3.73Å; A359-F436 HydrophobicContact CB-CE2 3.62Å; A359-F436 HydrophobicContact CB-CG 4.28Å; A359-F436 HydrophobicContact CB-CZ 4.09Å; A359-F436 WeakPolarHBondContact O-CD2 3.48Å; A359-F436 VanDerWaalsContact O-CE2 3.3Å; A359-F436 WeakPolarHBondContact O-CE2 3.41Å |
| 360 | L | 85 | Confident | 88.6 | Confident | 101 Ų | 101 | 38.3 Ų | 38.3 | 53% | 0.529 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.1 | -44.7 | -179.4 | -65.2 | 175.3 | 0 | 0 | 0 | 112.5 | F362 T363 E364 L413 | L360-F362 PolarHBondContact O-N 3.37Å; L360-T363 WeakPolarHBondContact CA-OG1 3.44Å; L360-T363 PolarHBondContact O-N 2.98Å; L360-T363 VanDerWaalsContact O-N 3.13Å; L360-T363 PolarHBondContact O-OG1 3.32Å; L360-E364 WeakPolarHBondContact O-CG 3.26Å; L360-E364 PolarHBondContact O-N 2.82Å; L360-L413 HydrophobicContact CD2-CD2 4.43Å; L360-L413 HydrophobicContact CG-CD2 4.37Å |
| 361 | D | 87.3 | Confident | 88.4 | Confident | 29 Ų | 29 | 37.7 Ų | 37.7 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -36.9 | 175.3 | 174.7 | 71.7 | 0 | 0 | 0 | 111.4 | R321 H357 E364 K365 | R321-D361 IonicContact NH1-OD1 2.75Å; H357-D361 HydrophobicContact CB-CB 4.16Å; H357-D361 WeakPolarHBondContact CB-OD2 3.35Å; D361-E364 PolarHBondContact O-N 2.85Å; D361-K365 WeakPolarHBondContact O-CB 3.38Å; D361-K365 VanDerWaalsContact O-CG 3.31Å; D361-K365 WeakPolarHBondContact O-CG 3.26Å; D361-K365 PolarHBondContact O-N 3.01Å; D361-K365 WeakPolarHBondContact OD1-CE 3.28Å; D361-K365 IonicContact OD1-NZ 3.17Å; D361-K365 WeakPolarHBondContact OD2-CD 3.42Å; D361-K365 WeakPolarHBondContact OD2-CE 3.47Å; D361-K365 IonicContact OD2-NZ 2.94Å; D361-K365 PolarHBondContact OD2-NZ 3.21Å |
| 362 | F | 91.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.3 | 176.7 | -106.3 | 0 | 0 | 0 | 111.9 | T353 G358 A359 L360 K365 L366 E396 I397 R400 F436 | T353-F362 HydrophobicContact CG2-CD2 4.11Å; T353-F362 HydrophobicContact CG2-CE2 3.83Å; G358-F362 PolarHBondContact O-N 3.13Å; A359-F362 WeakPolarHBondContact O-CB 3.31Å; A359-F362 PolarHBondContact O-N 3.36Å; L360-F362 PolarHBondContact O-N 3.37Å; F362-K365 PolarHBondContact O-N 3.27Å; F362-L366 HydrophobicContact CD1-CD1 3.97Å; F362-L366 HydrophobicContact CD1-CG 4.38Å; F362-L366 HydrophobicContact CE1-CD1 3.44Å; F362-L366 VanDerWaalsContact CE1-CD1 3.44Å; F362-L366 HydrophobicContact CE1-CG 4.02Å; F362-L366 HydrophobicContact CE2-CD2 4.44Å; F362-L366 HydrophobicContact CE2-CG 4.41Å; F362-L366 HydrophobicContact CZ-CD1 3.84Å; F362-L366 HydrophobicContact CZ-CD2 4.08Å; F362-L366 HydrophobicContact CZ-CG 4.02Å; F362-L366 WeakPolarHBondContact O-CG 3.33Å; F362-L366 PolarHBondContact O-N 3.05Å; F362-E396 HydrophobicContact CE2-CG 4.37Å; F362-I397 HydrophobicContact CZ-CG1 4.06Å; F362-R400 HydrophobicContact CD1-CB 4.17Å; F362-R400 HydrophobicContact CD1-CG 4.32Å; F362-R400 HydrophobicContact CD2-CG 4.16Å; F362-R400 HydrophobicContact CE1-CB 3.76Å; F362-R400 HydrophobicContact CE1-CG 3.97Å; F362-R400 HydrophobicContact CE2-CG 3.81Å; F362-R400 HydrophobicContact CG-CG 4.4Å; F362-R400 HydrophobicContact CZ-CB 3.96Å; F362-R400 HydrophobicContact CZ-CG 3.72Å; F362-F436 HydrophobicContact CD1-CE2 4.02Å; F362-F436 HydrophobicContact CD1-CZ 4.36Å |
| 363 | T | 89.6 | Confident | 88.3 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 177.5 | 40.6 | 0 | 0 | 0 | 0 | 113.3 | A359 L360 K365 L366 E367 F436 Q439 | A359-T363 PolarHBondContact O-N 3.28Å; A359-T363 VanDerWaalsContact O-N 3.15Å; A359-T363 PolarHBondContact O-OG1 3.11Å; L360-T363 WeakPolarHBondContact CA-OG1 3.44Å; L360-T363 PolarHBondContact O-N 2.98Å; L360-T363 VanDerWaalsContact O-N 3.13Å; L360-T363 PolarHBondContact O-OG1 3.32Å; T363-K365 VanDerWaalsContact C-N 3.29Å; T363-K365 PolarHBondContact O-N 2.76Å; T363-L366 WeakPolarHBondContact O-CB 3.38Å; T363-L366 PolarHBondContact O-N 3.2Å; T363-L366 VanDerWaalsContact O-N 3.11Å; T363-E367 PolarHBondContact O-N 3.02Å; T363-E367 VanDerWaalsContact O-N 3.17Å; T363-F436 HydrophobicContact CG2-CD2 3.46Å; T363-F436 VanDerWaalsContact CG2-CD2 3.46Å; T363-F436 HydrophobicContact CG2-CE2 3.81Å; T363-F436 HydrophobicContact CG2-CG 4.48Å; T363-Q439 HydrophobicContact CG2-CB 3.93Å |
| 364 | E | 89.5 | Confident | 88.2 | Confident | 77 Ų | 77 | 40.9 Ų | 40.9 | 36% | 0.36 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.5 | -36.6 | 174.8 | -66.1 | -178.5 | 121.4 | 0 | 0 | 111.7 | R321 L360 D361 E367 | R321-E364 IonicContact CZ-OE1 3.27Å; R321-E364 IonicContact CZ-OE2 3.64Å; R321-E364 IonicContact NE-OE1 3.99Å; R321-E364 IonicContact NE-OE2 2.75Å; R321-E364 PolarHBondContact NE-OE2 3.04Å; R321-E364 IonicContact NH1-OE2 3.98Å; R321-E364 PolarHBondContact NH1-OE2 2.82Å; R321-E364 VanDerWaalsContact NH2-CD 3.26Å; R321-E364 IonicContact NH2-OE1 3.05Å; R321-E364 PolarHBondContact NH2-OE1 3.36Å; R321-E364 IonicContact NH2-OE2 2.75Å; R321-E364 PolarHBondContact NH2-OE2 3.48Å; L360-E364 WeakPolarHBondContact O-CG 3.26Å; L360-E364 PolarHBondContact O-N 2.82Å; D361-E364 PolarHBondContact O-N 2.85Å; E364-E367 WeakPolarHBondContact O-CB 3.22Å; E364-E367 PolarHBondContact O-N 2.92Å |
| 365 | K | 91.8 | Very high | 88 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.3 | -34.3 | 173.1 | -72.8 | 170.2 | 176.4 | 170.9 | 0 | 112.2 | C352 T353 D361 F362 T363 E367 I368 | C352-K365 PolarHBondContact O-NZ 2.97Å; T353-K365 HydrophobicContact CG2-CB 4.23Å; D361-K365 WeakPolarHBondContact O-CB 3.38Å; D361-K365 VanDerWaalsContact O-CG 3.31Å; D361-K365 WeakPolarHBondContact O-CG 3.26Å; D361-K365 PolarHBondContact O-N 3.01Å; D361-K365 WeakPolarHBondContact OD1-CE 3.28Å; D361-K365 IonicContact OD1-NZ 3.17Å; D361-K365 WeakPolarHBondContact OD2-CD 3.42Å; D361-K365 WeakPolarHBondContact OD2-CE 3.47Å; D361-K365 IonicContact OD2-NZ 2.94Å; D361-K365 PolarHBondContact OD2-NZ 3.21Å; F362-K365 PolarHBondContact O-N 3.27Å; T363-K365 VanDerWaalsContact C-N 3.29Å; T363-K365 PolarHBondContact O-N 2.76Å; K365-E367 VanDerWaalsContact C-N 3.29Å; K365-E367 PolarHBondContact O-N 3.46Å; K365-I368 WeakPolarHBondContact O-CB 3.19Å; K365-I368 PolarHBondContact O-N 3.01Å |
| 366 | L | 91.7 | Very high | 88.1 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -33.4 | 173.5 | -75.9 | 179.9 | 0 | 0 | 0 | 112.5 | T353 F362 T363 I368 W369 L393 I397 | T353-L366 HydrophobicContact CG2-CD2 4.23Å; F362-L366 HydrophobicContact CD1-CD1 3.97Å; F362-L366 HydrophobicContact CD1-CG 4.38Å; F362-L366 HydrophobicContact CE1-CD1 3.44Å; F362-L366 VanDerWaalsContact CE1-CD1 3.44Å; F362-L366 HydrophobicContact CE1-CG 4.02Å; F362-L366 HydrophobicContact CE2-CD2 4.44Å; F362-L366 HydrophobicContact CE2-CG 4.41Å; F362-L366 HydrophobicContact CZ-CD1 3.84Å; F362-L366 HydrophobicContact CZ-CD2 4.08Å; F362-L366 HydrophobicContact CZ-CG 4.02Å; F362-L366 WeakPolarHBondContact O-CG 3.33Å; F362-L366 PolarHBondContact O-N 3.05Å; T363-L366 WeakPolarHBondContact O-CB 3.38Å; T363-L366 PolarHBondContact O-N 3.2Å; T363-L366 VanDerWaalsContact O-N 3.11Å; L366-I368 PolarHBondContact O-N 3.35Å; L366-W369 WeakPolarHBondContact O-CB 3.4Å; L366-W369 PolarHBondContact O-N 2.73Å; L366-L393 HydrophobicContact CD2-CD1 3.97Å; L366-I397 HydrophobicContact CD1-CG1 4.19Å; L366-I397 HydrophobicContact CD2-CD1 4.04Å; L366-I397 HydrophobicContact CD2-CG1 3.97Å |
| 367 | E | 91.2 | Very high | 88.5 | Confident | 95 Ų | 95 | 34.4 Ų | 34.4 | 44% | 0.444 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.1 | -34.4 | 177.5 | -63.4 | -165.2 | 153.6 | 0 | 0 | 112.7 | T363 E364 K365 W369 T370 P371 | T363-E367 PolarHBondContact O-N 3.02Å; T363-E367 VanDerWaalsContact O-N 3.17Å; E364-E367 WeakPolarHBondContact O-CB 3.22Å; E364-E367 PolarHBondContact O-N 2.92Å; K365-E367 VanDerWaalsContact C-N 3.29Å; K365-E367 PolarHBondContact O-N 3.46Å; E367-W369 PolarHBondContact O-N 3.29Å; E367-T370 WeakPolarHBondContact O-CB 3.32Å; E367-T370 PolarHBondContact O-N 2.9Å; E367-T370 VanDerWaalsContact O-N 3.1Å; E367-P371 WeakPolarHBondContact O-CD 3.5Å |
| 368 | I | 93.6 | Very high | 88.8 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.7 | 178.6 | -58.1 | 169.2 | 0 | 0 | 0 | 111.6 | R321 L324 R325 T328 L349 K365 L366 P371 | R321-I368 HydrophobicContact CG-CD1 4.04Å; L324-I368 HydrophobicContact CB-CD1 3.82Å; L324-I368 HydrophobicContact CB-CG1 4.38Å; L324-I368 HydrophobicContact CB-CG2 4.02Å; L324-I368 HydrophobicContact CD1-CD1 4.08Å; R325-I368 HydrophobicContact CB-CG1 4.49Å; T328-I368 HydrophobicContact CG2-CG2 3.7Å; T328-I368 PolarHBondContact OG1-O 3.03Å; L349-I368 HydrophobicContact CD1-CG2 3.96Å; L349-I368 HydrophobicContact CD2-CG2 4.17Å; K365-I368 WeakPolarHBondContact O-CB 3.19Å; K365-I368 PolarHBondContact O-N 3.01Å; L366-I368 PolarHBondContact O-N 3.35Å; I368-P371 WeakPolarHBondContact O-CD 3.35Å |
| 369 | W | 93.5 | Very high | 88.6 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.6 | -27.4 | 179.6 | -69.2 | 84.6 | 0 | 0 | 0 | 113.1 | L346 L349 T353 L366 E367 I372 I373 V389 L393 | L346-W369 HydrophobicContact CD2-CE3 4.34Å; L346-W369 HydrophobicContact CD2-CH2 4.26Å; L346-W369 HydrophobicContact CD2-CZ3 3.68Å; L349-W369 HydrophobicContact CB-CH2 4.33Å; L349-W369 HydrophobicContact CB-CZ2 3.98Å; L349-W369 HydrophobicContact CD2-CD2 3.8Å; L349-W369 HydrophobicContact CD2-CE3 4.19Å; L349-W369 HydrophobicContact CD2-CG 4.29Å; L349-W369 HydrophobicContact CD2-CH2 4.15Å; L349-W369 HydrophobicContact CD2-CZ2 3.75Å; L349-W369 HydrophobicContact CD2-CZ3 4.37Å; L349-W369 HydrophobicContact CG-CD2 4.41Å; L349-W369 HydrophobicContact CG-CH2 4.26Å; L349-W369 HydrophobicContact CG-CZ2 3.57Å; T353-W369 PolarHBondContact OG1-NE1 3.25Å; L366-W369 WeakPolarHBondContact O-CB 3.4Å; L366-W369 PolarHBondContact O-N 2.73Å; E367-W369 PolarHBondContact O-N 3.29Å; W369-I372 PolarHBondContact O-N 3.47Å; W369-I372 VanDerWaalsContact O-N 3.07Å; W369-I373 HydrophobicContact CB-CD1 3.82Å; W369-I373 HydrophobicContact CB-CG1 4.43Å; W369-I373 WeakPolarHBondContact O-CG1 3.22Å; W369-I373 PolarHBondContact O-N 3.49Å; W369-V389 HydrophobicContact CH2-CG1 3.87Å; W369-V389 HydrophobicContact CZ3-CG1 4.25Å; W369-L393 HydrophobicContact CD2-CD2 3.71Å; W369-L393 HydrophobicContact CE3-CD2 3.68Å; W369-L393 HydrophobicContact CG-CD2 4.14Å; W369-L393 HydrophobicContact CZ2-CD1 4.45Å; W369-L393 HydrophobicContact CZ3-CD2 4.09Å |
| 370 | T | 91.9 | Very high | 87.9 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57 | -49.8 | -171.3 | -70.9 | 0 | 0 | 0 | 0 | 113.5 | E367 I372 I373 K374 L446 | E367-T370 WeakPolarHBondContact O-CB 3.32Å; E367-T370 PolarHBondContact O-N 2.9Å; E367-T370 VanDerWaalsContact O-N 3.1Å; T370-I372 VanDerWaalsContact C-N 3.3Å; T370-I372 PolarHBondContact O-N 3.3Å; T370-I373 PolarHBondContact O-N 3.26Å; T370-K374 HydrophobicContact CG2-CD 4.15Å; T370-K374 WeakPolarHBondContact O-CB 3.33Å; T370-K374 WeakPolarHBondContact O-CG 3.38Å; T370-K374 PolarHBondContact O-N 2.83Å; T370-K374 VanDerWaalsContact O-N 3.09Å; T370-L446 HydrophobicContact CG2-CD2 3.89Å |
| 371 | P | 90.3 | Very high | 87.3 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 20% | 0.195 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -36.4 | 176.3 | -22.7 | 33.7 | 0 | 0 | 0 | 113.2 | E367 I368 G375 | E367-P371 WeakPolarHBondContact O-CD 3.5Å; I368-P371 WeakPolarHBondContact O-CD 3.35Å; P371-G375 PolarHBondContact O-N 2.95Å |
| 372 | I | 90.2 | Very high | 86.5 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.1 | -47.4 | -178.7 | -56.5 | 166.3 | 0 | 0 | 0 | 110.5 | T328 L342 F345 L346 L349 W369 T370 K374 G375 I376 | T328-I372 HydrophobicContact CG2-CD1 3.66Å; T328-I372 HydrophobicContact CG2-CG1 3.95Å; L342-I372 HydrophobicContact CD1-CG2 4.4Å; F345-I372 HydrophobicContact CE1-CD1 3.9Å; L346-I372 HydrophobicContact CD2-CD1 4.27Å; L346-I372 HydrophobicContact CD2-CG2 3.92Å; L349-I372 HydrophobicContact CD2-CD1 3.73Å; W369-I372 PolarHBondContact O-N 3.47Å; W369-I372 VanDerWaalsContact O-N 3.07Å; T370-I372 VanDerWaalsContact C-N 3.3Å; T370-I372 PolarHBondContact O-N 3.3Å; I372-K374 VanDerWaalsContact C-N 3.32Å; I372-K374 PolarHBondContact O-N 3.04Å; I372-G375 CarbonylContact O-C 3.19Å; I372-G375 WeakPolarHBondContact O-CA 3.35Å; I372-G375 PolarHBondContact O-N 3.47Å; I372-G375 VanDerWaalsContact O-N 3.09Å; I372-I376 HydrophobicContact CG2-CD1 3.85Å; I372-I376 HydrophobicContact CG2-CG1 4.35Å; I372-I376 WeakPolarHBondContact O-CG1 3.42Å; I372-I376 PolarHBondContact O-N 3.3Å |
| 373 | I | 90.1 | Very high | 85.8 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 179.2 | -63.8 | 163 | 0 | 0 | 0 | 110 | W369 T370 G375 I376 A377 L446 L447 T450 | W369-I373 HydrophobicContact CB-CD1 3.82Å; W369-I373 HydrophobicContact CB-CG1 4.43Å; W369-I373 WeakPolarHBondContact O-CG1 3.22Å; W369-I373 PolarHBondContact O-N 3.49Å; T370-I373 PolarHBondContact O-N 3.26Å; I373-G375 VanDerWaalsContact C-N 3.32Å; I373-G375 PolarHBondContact O-N 3.48Å; I373-I376 PolarHBondContact O-N 3.44Å; I373-A377 WeakPolarHBondContact O-CB 3.5Å; I373-A377 PolarHBondContact O-N 3.3Å; I373-L446 HydrophobicContact CB-CD2 4.02Å; I373-L446 HydrophobicContact CB-CG 4.27Å; I373-L446 HydrophobicContact CD1-CD2 4.26Å; I373-L446 HydrophobicContact CG2-CD2 4.05Å; I373-L446 HydrophobicContact CG2-CG 3.73Å; I373-L447 HydrophobicContact CD1-CD2 3.58Å; I373-L447 HydrophobicContact CD1-CG 3.96Å; I373-L447 HydrophobicContact CG1-CD2 3.95Å; I373-L447 HydrophobicContact CG2-CD2 4.19Å; I373-T450 HydrophobicContact CG2-CG2 4.2Å; I373-T450 WeakPolarHBondContact CG2-OG1 3.49Å |
| 374 | K | 88.8 | Confident | 85.3 | Confident | 115 Ų | 115 | 51.6 Ų | 51.6 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 173.8 | -73.4 | 176.9 | 179.4 | 173.8 | 0 | 112.3 | T370 I372 A377 Q378 L446 | T370-K374 HydrophobicContact CG2-CD 4.15Å; T370-K374 WeakPolarHBondContact O-CB 3.33Å; T370-K374 WeakPolarHBondContact O-CG 3.38Å; T370-K374 PolarHBondContact O-N 2.83Å; T370-K374 VanDerWaalsContact O-N 3.09Å; I372-K374 VanDerWaalsContact C-N 3.32Å; I372-K374 PolarHBondContact O-N 3.04Å; K374-A377 PolarHBondContact O-N 3.05Å; K374-Q378 WeakPolarHBondContact O-CG 3.45Å; K374-Q378 PolarHBondContact O-N 2.73Å; K374-L446 HydrophobicContact CG-CD1 3.97Å; K374-L446 HydrophobicContact CG-CD2 4.47Å |
| 375 | G | 85 | Confident | 85 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P371 I372 I373 Q378 | P371-G375 PolarHBondContact O-N 2.95Å; I372-G375 CarbonylContact O-C 3.19Å; I372-G375 WeakPolarHBondContact O-CA 3.35Å; I372-G375 PolarHBondContact O-N 3.47Å; I372-G375 VanDerWaalsContact O-N 3.09Å; I373-G375 VanDerWaalsContact C-N 3.32Å; I373-G375 PolarHBondContact O-N 3.48Å; G375-Q378 PolarHBondContact O-N 3.44Å |
| 376 | I | 85.7 | Confident | 84.6 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.4 | -68.6 | 169.2 | 0 | 0 | 0 | 110.7 | M336 L346 I372 I373 Q378 H379 I383 Y386 T450 | M336-I376 HydrophobicContact CE-CB 4.46Å; M336-I376 HydrophobicContact CE-CG1 3.94Å; M336-I376 HydrophobicContact SD-CG1 3.74Å; L346-I376 HydrophobicContact CD1-CD1 4.48Å; I372-I376 HydrophobicContact CG2-CD1 3.85Å; I372-I376 HydrophobicContact CG2-CG1 4.35Å; I372-I376 WeakPolarHBondContact O-CG1 3.42Å; I372-I376 PolarHBondContact O-N 3.3Å; I373-I376 PolarHBondContact O-N 3.44Å; I376-Q378 PolarHBondContact O-N 3.13Å; I376-H379 CarbonylContact O-C 3.1Å; I376-H379 PolarHBondContact O-N 3.44Å; I376-I383 HydrophobicContact CG2-CG1 3.81Å; I376-Y386 HydrophobicContact CD1-CD2 4.3Å; I376-Y386 HydrophobicContact CG1-CD2 4.45Å; I376-T450 HydrophobicContact CG2-CG2 4.06Å |
| 377 | A | 84.5 | Confident | 84.3 | Confident | 42 Ų | 42 | 54.3 Ų | 54.3 | 35% | 0.347 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.6 | -30.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I373 K374 H379 T450 | I373-A377 WeakPolarHBondContact O-CB 3.5Å; I373-A377 PolarHBondContact O-N 3.3Å; K374-A377 PolarHBondContact O-N 3.05Å; A377-H379 PolarHBondContact O-N 2.94Å; A377-T450 HydrophobicContact CB-CG2 3.8Å |
| 378 | Q | 84.2 | Confident | 84.1 | Confident | 145 Ų | 145 | 54.8 Ų | 54.8 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.8 | 176.4 | -67.6 | 174.2 | 7.2 | 0 | 0 | 113.3 | K374 G375 I376 P380 | K374-Q378 WeakPolarHBondContact O-CG 3.45Å; K374-Q378 PolarHBondContact O-N 2.73Å; G375-Q378 PolarHBondContact O-N 3.44Å; I376-Q378 PolarHBondContact O-N 3.13Å; Q378-P380 WeakPolarHBondContact O-CD 3.22Å |
| 379 | H | 80 | Confident | 84 | Confident | 91 Ų | 91 | 55 Ų | 55 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | trans | -126.1 | 70.2 | -176.9 | -65.7 | -58 | 0 | 0 | 0 | 112.4 | M336 I376 A377 A381 K382 | M336-H379 HydrophobicContact CE-CB 4.49Å; I376-H379 CarbonylContact O-C 3.1Å; I376-H379 PolarHBondContact O-N 3.44Å; A377-H379 PolarHBondContact O-N 2.94Å; H379-A381 PolarHBondContact O-N 3.47Å; H379-K382 PolarHBondContact O-N 3.01Å | ||
| 380 | P | 70 | Confident | 83.9 | Confident | 94 Ų | 94 | 55 Ų | 55 | 61% | 0.61 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -57.6 | -29.1 | -171.7 | 19.4 | -31.6 | 0 | 0 | 0 | 114.7 | Q378 K382 I383 | Q378-P380 WeakPolarHBondContact O-CD 3.22Å; P380-K382 PolarHBondContact O-N 3.26Å; P380-I383 HydrophobicContact CB-CD1 4.25Å; P380-I383 WeakPolarHBondContact O-CG1 3.44Å; P380-I383 PolarHBondContact O-N 2.96Å |
| 381 | A | 72.4 | Confident | 83.8 | Confident | 94 Ų | 94 | 54.8 Ų | 54.8 | 78% | 0.777 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -65.2 | -21.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H379 | H379-A381 PolarHBondContact O-N 3.47Š|
| 382 | K | 70.8 | Confident | 83.9 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -100.1 | -4.3 | -177 | -65.1 | -174.9 | 177.4 | -178 | 0 | 113.6 | M336 H379 P380 T384 R385 Y386 | M336-K382 PolarHBondContact O-NZ 3.36Å; M336-K382 VanDerWaalsContact O-NZ 3.16Å; H379-K382 PolarHBondContact O-N 3.01Å; P380-K382 PolarHBondContact O-N 3.26Å; K382-T384 VanDerWaalsContact C-N 3.27Å; K382-T384 PolarHBondContact O-N 3.22Å; K382-R385 PolarHBondContact O-N 3.09Å; K382-Y386 WeakPolarHBondContact O-CD2 3.39Å |
| 383 | I | 77 | Confident | 84.1 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.8 | -35.4 | -175.4 | -64.7 | -178.5 | 0 | 0 | 0 | 112 | I376 P380 R385 Y386 N387 T450 R451 | I376-I383 HydrophobicContact CG2-CG1 3.81Å; P380-I383 HydrophobicContact CB-CD1 4.25Å; P380-I383 WeakPolarHBondContact O-CG1 3.44Å; P380-I383 PolarHBondContact O-N 2.96Å; I383-R385 PolarHBondContact O-N 3.46Å; I383-R385 VanDerWaalsContact O-N 3.14Å; I383-Y386 PolarHBondContact O-N 2.72Å; I383-N387 WeakPolarHBondContact CG2-OD1 3.4Å; I383-N387 PolarHBondContact O-N 2.73Å; I383-N387 PolarHBondContact O-OD1 2.86Å; I383-T450 HydrophobicContact CD1-CG2 4.26Å; I383-T450 VanDerWaalsContact CD1-O 3.25Å; I383-T450 WeakPolarHBondContact CD1-O 3.37Å; I383-R451 HydrophobicContact CG2-CG 4.35Å |
| 384 | T | 78.8 | Confident | 84.3 | Confident | 110 Ų | 110 | 56 Ų | 56 | 68% | 0.675 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -57.1 | -32.7 | -177.1 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | K382 N387 | K382-T384 VanDerWaalsContact C-N 3.27Å; K382-T384 PolarHBondContact O-N 3.22Å; T384-N387 WeakPolarHBondContact CA-ND2 3.19Å |
| 385 | R | 82.8 | Confident | 84.5 | Confident | 100 Ų | 100 | 53.7 Ų | 53.7 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 178.9 | -172.9 | 172.7 | 178.9 | 165.4 | 0.8 | 112.7 | D340 E343 K382 I383 | D340-R385 IonicContact OD1-CZ 2.8Å; D340-R385 IonicContact OD1-NH1 3.72Å; D340-R385 PolarHBondContact OD1-NH1 3.31Å; D340-R385 IonicContact OD1-NH2 2.66Å; D340-R385 PolarHBondContact OD1-NH2 3.22Å; E343-R385 IonicContact OE2-CZ 3.78Å; E343-R385 VanDerWaalsContact OE2-CZ 3.27Å; E343-R385 IonicContact OE2-NE 3.55Å; E343-R385 PolarHBondContact OE2-NE 3.33Å; E343-R385 IonicContact OE2-NH2 2.7Å; E343-R385 PolarHBondContact OE2-NH2 2.99Å; K382-R385 PolarHBondContact O-N 3.09Å; I383-R385 PolarHBondContact O-N 3.46Å; I383-R385 VanDerWaalsContact O-N 3.14Å |
| 386 | Y | 85.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -99.9 | -0.4 | -174 | -50.9 | -59.7 | 0 | 0 | 0 | 113.6 | M336 P339 L342 E343 L346 I376 K382 I383 N388 V389 L390 | M336-Y386 HydrophobicContact CE-CE2 4.41Å; P339-Y386 WeakPolarHBondContact CA-OH 3.32Å; P339-Y386 VanDerWaalsContact CB-OH 3.28Å; P339-Y386 WeakPolarHBondContact CB-OH 3.48Å; P339-Y386 PolarHBondContact O-OH 3.46Å; L342-Y386 HydrophobicContact CD2-CE1 4.17Å; L342-Y386 HydrophobicContact CD2-CE2 4.09Å; L342-Y386 HydrophobicContact CG-CE1 4.17Å; E343-Y386 HydrophobicContact CB-CE1 4.19Å; L346-Y386 HydrophobicContact CD1-CD1 3.67Å; L346-Y386 HydrophobicContact CD1-CE1 4.29Å; L346-Y386 HydrophobicContact CD1-CG 4.03Å; I376-Y386 HydrophobicContact CD1-CD2 4.3Å; I376-Y386 HydrophobicContact CG1-CD2 4.45Å; K382-Y386 WeakPolarHBondContact O-CD2 3.39Å; I383-Y386 PolarHBondContact O-N 2.72Å; Y386-N388 PolarHBondContact O-N 3.24Å; Y386-N388 VanDerWaalsContact O-N 3.16Å; Y386-V389 PolarHBondContact O-N 3.47Å; Y386-L390 WeakPolarHBondContact O-CG 3.42Å; Y386-L390 PolarHBondContact O-N 3.43Å |
| 387 | N | 84.1 | Confident | 85.2 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.2 | -35.5 | -175.6 | -91.4 | -21.9 | 0 | 0 | 0 | 114 | I383 T384 T391 R451 | I383-N387 WeakPolarHBondContact CG2-OD1 3.4Å; I383-N387 PolarHBondContact O-N 2.73Å; I383-N387 PolarHBondContact O-OD1 2.86Å; T384-N387 WeakPolarHBondContact CA-ND2 3.19Å; N387-T391 VanDerWaalsContact O-CB 3.3Å; N387-T391 WeakPolarHBondContact O-CB 3.33Å; N387-T391 PolarHBondContact O-N 2.85Å; N387-T391 PolarHBondContact O-OG1 2.91Å; N387-R451 PolarHBondContact O-NH1 3.27Å; N387-R451 PolarHBondContact O-NH2 2.95Å; N387-R451 PolarHBondContact OD1-NE 3.22Å; N387-R451 PolarHBondContact OD1-NH2 3.09Å |
| 388 | N | 88.3 | Confident | 85.6 | Confident | 105 Ų | 105 | 51.9 Ų | 51.9 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.6 | -53.6 | -178.5 | -172.3 | 26.3 | 0 | 0 | 0 | 111.5 | Y386 L390 T391 Q392 | Y386-N388 PolarHBondContact O-N 3.24Å; Y386-N388 VanDerWaalsContact O-N 3.16Å; N388-L390 VanDerWaalsContact C-N 3.33Å; N388-L390 PolarHBondContact O-N 2.87Å; N388-T391 WeakPolarHBondContact O-CB 3.43Å; N388-T391 PolarHBondContact O-N 3.36Å; N388-T391 VanDerWaalsContact O-N 3.08Å; N388-Q392 WeakPolarHBondContact O-CG 3.29Å; N388-Q392 PolarHBondContact O-N 3.05Å; N388-Q392 PolarHBondContact OD1-NE2 3.41Å |
| 389 | V | 91 | Very high | 85.9 | Confident | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | -179.9 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | L346 N347 Y350 W369 Y386 T391 Q392 L393 | L346-V389 HydrophobicContact CB-CG1 4.31Å; N347-V389 WeakPolarHBondContact OD1-CG2 3.49Å; Y350-V389 HydrophobicContact CG-CG1 4.44Å; W369-V389 HydrophobicContact CH2-CG1 3.87Å; W369-V389 HydrophobicContact CZ3-CG1 4.25Å; Y386-V389 PolarHBondContact O-N 3.47Å; V389-T391 PolarHBondContact O-N 3.49Å; V389-Q392 PolarHBondContact O-N 2.99Å; V389-L393 WeakPolarHBondContact O-CB 2.95Å; V389-L393 PolarHBondContact O-N 3.43Å |
| 390 | L | 90.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.6 | -27.7 | 176.9 | -60.5 | 176 | 0 | 0 | 0 | 112.5 | Y386 N388 V394 L447 R451 | Y386-L390 WeakPolarHBondContact O-CG 3.42Å; Y386-L390 PolarHBondContact O-N 3.43Å; N388-L390 VanDerWaalsContact C-N 3.33Å; N388-L390 PolarHBondContact O-N 2.87Å; L390-V394 WeakPolarHBondContact O-CG2 3.28Å; L390-V394 PolarHBondContact O-N 3.25Å; L390-L447 HydrophobicContact CB-CD2 4.47Å; L390-L447 HydrophobicContact CD2-CD2 3.85Å; L390-R451 HydrophobicContact CD1-CG 4.08Å; L390-R451 PolarHBondContact O-NH1 3.27Å |
| 391 | T | 90.9 | Very high | 87.3 | Confident | 39 Ų | 39 | 40.2 Ų | 40.2 | 24% | 0.239 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.2 | -45.2 | 176.6 | -87.6 | 0 | 0 | 0 | 0 | 109.7 | N387 N388 V389 L393 V394 D395 R451 Q459 | N387-T391 VanDerWaalsContact O-CB 3.3Å; N387-T391 WeakPolarHBondContact O-CB 3.33Å; N387-T391 PolarHBondContact O-N 2.85Å; N387-T391 PolarHBondContact O-OG1 2.91Å; N388-T391 WeakPolarHBondContact O-CB 3.43Å; N388-T391 PolarHBondContact O-N 3.36Å; N388-T391 VanDerWaalsContact O-N 3.08Å; V389-T391 PolarHBondContact O-N 3.49Å; T391-L393 VanDerWaalsContact C-N 3.26Å; T391-L393 PolarHBondContact O-N 3.44Å; T391-V394 PolarHBondContact O-N 3Å; T391-D395 PolarHBondContact O-N 3.38Å; T391-D395 VanDerWaalsContact O-N 3.1Å; T391-R451 VanDerWaalsContact OG1-CZ 3.31Å; T391-R451 PolarHBondContact OG1-NH1 3.24Å; T391-R451 PolarHBondContact OG1-NH2 2.8Å; T391-Q459 PolarHBondContact O-NE2 3.37Å |
| 392 | Q | 92.8 | Very high | 88.1 | Confident | 61 Ų | 61 | 36.5 Ų | 36.5 | 29% | 0.285 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.3 | -38.7 | 173.9 | -67.2 | 174.4 | -2.3 | 0 | 0 | 111.6 | Y350 N388 V389 D395 E396 | Y350-Q392 HydrophobicContact CD2-CB 4.4Å; Y350-Q392 HydrophobicContact CE1-CB 4.37Å; Y350-Q392 HydrophobicContact CE2-CB 3.71Å; N388-Q392 WeakPolarHBondContact O-CG 3.29Å; N388-Q392 PolarHBondContact O-N 3.05Å; N388-Q392 PolarHBondContact OD1-NE2 3.41Å; V389-Q392 PolarHBondContact O-N 2.99Å; Q392-D395 PolarHBondContact O-N 3.17Å; Q392-E396 VanDerWaalsContact O-CB 3.28Å; Q392-E396 WeakPolarHBondContact O-CB 3.33Å; Q392-E396 PolarHBondContact O-N 2.98Å |
| 393 | L | 94 | Very high | 88.8 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 176.9 | -174.8 | 62.9 | 0 | 0 | 0 | 112.6 | L366 W369 V389 T391 E396 I397 L447 | L366-L393 HydrophobicContact CD2-CD1 3.97Å; W369-L393 HydrophobicContact CD2-CD2 3.71Å; W369-L393 HydrophobicContact CE3-CD2 3.68Å; W369-L393 HydrophobicContact CG-CD2 4.14Å; W369-L393 HydrophobicContact CZ2-CD1 4.45Å; W369-L393 HydrophobicContact CZ3-CD2 4.09Å; V389-L393 WeakPolarHBondContact O-CB 2.95Å; V389-L393 PolarHBondContact O-N 3.43Å; T391-L393 VanDerWaalsContact C-N 3.26Å; T391-L393 PolarHBondContact O-N 3.44Å; L393-E396 PolarHBondContact O-N 3.47Å; L393-I397 HydrophobicContact CD1-CD1 4.33Å; L393-I397 HydrophobicContact CD1-CG1 4.42Å; L393-I397 HydrophobicContact CG-CD1 4.01Å; L393-I397 VanDerWaalsContact O-CG1 3.22Å; L393-I397 WeakPolarHBondContact O-CG1 3.48Å; L393-I397 PolarHBondContact O-N 2.91Å; L393-L447 HydrophobicContact CD2-CD1 4.01Å; L393-L447 HydrophobicContact CD2-CD2 4.38Å; L393-L447 HydrophobicContact CG-CD1 4.23Å |
| 394 | V | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 175.3 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L390 T391 E396 I397 M398 L444 L447 V456 Q459 | L390-V394 WeakPolarHBondContact O-CG2 3.28Å; L390-V394 PolarHBondContact O-N 3.25Å; T391-V394 PolarHBondContact O-N 3Å; V394-E396 VanDerWaalsContact C-N 3.29Å; V394-E396 PolarHBondContact O-N 3.42Å; V394-I397 PolarHBondContact O-N 3.29Å; V394-M398 PolarHBondContact O-N 3.12Å; V394-L444 HydrophobicContact CB-CD2 4.3Å; V394-L444 HydrophobicContact CG1-CD2 3.94Å; V394-L444 HydrophobicContact CG2-CD2 4.22Å; V394-L447 HydrophobicContact CG2-CB 4.34Å; V394-L447 HydrophobicContact CG2-CD1 3.77Å; V394-V456 HydrophobicContact CG1-CG1 4.13Å; V394-V456 HydrophobicContact CG2-CG1 4.22Å; V394-V456 HydrophobicContact CG2-CG2 4.25Å; V394-Q459 HydrophobicContact CG1-CB 3.85Å; V394-Q459 HydrophobicContact CG1-CG 4.46Å |
| 395 | D | 92.3 | Very high | 89.3 | Confident | 67 Ų | 67 | 33.4 Ų | 33.4 | 36% | 0.358 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.3 | -38.1 | -179.9 | -63.9 | -24.2 | 0 | 0 | 0 | 111 | T391 Q392 R399 Q459 | T391-D395 PolarHBondContact O-N 3.38Å; T391-D395 VanDerWaalsContact O-N 3.1Å; Q392-D395 PolarHBondContact O-N 3.17Å; D395-R399 VanDerWaalsContact O-CB 3.31Å; D395-R399 WeakPolarHBondContact O-CB 3.49Å; D395-R399 PolarHBondContact O-N 3.4Å; D395-Q459 PolarHBondContact OD1-NE2 3.28Å |
| 396 | E | 92.6 | Very high | 89.4 | Confident | 15 Ų | 15 | 29 Ų | 29 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.6 | -43.9 | 176.9 | -177.8 | 62.4 | -166.4 | 0 | 0 | 112.4 | Y350 T354 F362 Q392 L393 V394 M398 R399 R400 | Y350-E396 HydrophobicContact CE2-CB 4.22Å; T354-E396 HydrophobicContact CG2-CG 3.92Å; F362-E396 HydrophobicContact CE2-CG 4.37Å; Q392-E396 VanDerWaalsContact O-CB 3.28Å; Q392-E396 WeakPolarHBondContact O-CB 3.33Å; Q392-E396 PolarHBondContact O-N 2.98Å; L393-E396 PolarHBondContact O-N 3.47Å; V394-E396 VanDerWaalsContact C-N 3.29Å; V394-E396 PolarHBondContact O-N 3.42Å; E396-M398 VanDerWaalsContact C-N 3.3Å; E396-M398 PolarHBondContact O-N 3.04Å; E396-R399 WeakPolarHBondContact O-CB 3.35Å; E396-R399 PolarHBondContact O-N 3.46Å; E396-R399 IonicContact OE1-CZ 3.05Å; E396-R399 IonicContact OE1-NE 3.86Å; E396-R399 IonicContact OE1-NH2 2.74Å; E396-R399 PolarHBondContact OE1-NH2 2.66Å; E396-R399 IonicContact OE2-CZ 3.4Å; E396-R399 IonicContact OE2-NE 2.72Å; E396-R399 PolarHBondContact OE2-NE 2.98Å; E396-R399 IonicContact OE2-NH2 2.88Å; E396-R399 PolarHBondContact OE2-NH2 3.06Å; E396-R400 HydrophobicContact CG-CG 4.35Å; E396-R400 WeakPolarHBondContact O-CB 3.24Å; E396-R400 WeakPolarHBondContact O-CG 3.49Å; E396-R400 PolarHBondContact O-N 3.44Å; E396-R400 WeakPolarHBondContact OE1-CD 3.49Å; E396-R400 WeakPolarHBondContact OE1-CG 3.26Å |
| 397 | I | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.7 | -47.4 | 174.2 | -68.7 | 163.5 | 0 | 0 | 0 | 109.7 | F362 L366 L393 V394 R399 R400 T401 C440 L444 L447 | F362-I397 HydrophobicContact CZ-CG1 4.06Å; L366-I397 HydrophobicContact CD1-CG1 4.19Å; L366-I397 HydrophobicContact CD2-CD1 4.04Å; L366-I397 HydrophobicContact CD2-CG1 3.97Å; L393-I397 HydrophobicContact CD1-CD1 4.33Å; L393-I397 HydrophobicContact CD1-CG1 4.42Å; L393-I397 HydrophobicContact CG-CD1 4.01Å; L393-I397 VanDerWaalsContact O-CG1 3.22Å; L393-I397 WeakPolarHBondContact O-CG1 3.48Å; L393-I397 PolarHBondContact O-N 2.91Å; V394-I397 PolarHBondContact O-N 3.29Å; I397-R399 PolarHBondContact O-N 3.21Å; I397-R400 PolarHBondContact O-N 3.14Å; I397-T401 WeakPolarHBondContact O-CG2 2.97Å; I397-T401 PolarHBondContact O-N 2.91Å; I397-T401 PolarHBondContact O-OG1 3.31Å; I397-C440 HydrophobicContact CG2-CB 3.84Å; I397-L444 HydrophobicContact CB-CD2 4.03Å; I397-L444 HydrophobicContact CD1-CD2 3.97Å; I397-L444 HydrophobicContact CG2-CD1 4.13Å; I397-L444 HydrophobicContact CG2-CD2 3.9Å; I397-L444 HydrophobicContact CG2-CG 3.82Å; I397-L447 HydrophobicContact CD1-CD1 4.03Å |
| 398 | M | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 176.2 | -74 | -54.3 | -56.4 | 0 | 0 | 111 | V394 E396 R400 T401 Q402 L444 V460 H463 V507 A510 | V394-M398 PolarHBondContact O-N 3.12Å; E396-M398 VanDerWaalsContact C-N 3.3Å; E396-M398 PolarHBondContact O-N 3.04Å; M398-R400 VanDerWaalsContact C-N 3.34Å; M398-R400 PolarHBondContact O-N 3.33Å; M398-T401 PolarHBondContact O-N 3.23Å; M398-T401 VanDerWaalsContact O-N 3.17Å; M398-T401 PolarHBondContact O-OG1 3.37Å; M398-Q402 WeakPolarHBondContact O-CG 3.39Å; M398-Q402 PolarHBondContact O-N 3.38Å; M398-L444 HydrophobicContact CG-CD1 4.5Å; M398-L444 HydrophobicContact SD-CD1 3.74Å; M398-V460 HydrophobicContact CE-CG1 4.15Å; M398-V460 HydrophobicContact CG-CG2 4.08Å; M398-V460 HydrophobicContact SD-CB 4.46Å; M398-V460 HydrophobicContact SD-CG1 4.17Å; M398-V460 HydrophobicContact SD-CG2 3.83Å; M398-H463 HydrophobicContact CE-CB 4.4Å; M398-V507 HydrophobicContact CE-CG2 4.02Å; M398-A510 HydrophobicContact SD-CB 4.41Å |
| 399 | R | 90.9 | Very high | 89 | Confident | 85 Ų | 85 | 31 Ų | 31 | 32% | 0.321 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -54.7 | -46.5 | 176.9 | -166.3 | -171 | 71.4 | 72.9 | -0.4 | 112 | D395 E396 I397 T401 Q402 A405 N406 | D395-R399 VanDerWaalsContact O-CB 3.31Å; D395-R399 WeakPolarHBondContact O-CB 3.49Å; D395-R399 PolarHBondContact O-N 3.4Å; E396-R399 WeakPolarHBondContact O-CB 3.35Å; E396-R399 PolarHBondContact O-N 3.46Å; E396-R399 IonicContact OE1-CZ 3.05Å; E396-R399 IonicContact OE1-NE 3.86Å; E396-R399 IonicContact OE1-NH2 2.74Å; E396-R399 PolarHBondContact OE1-NH2 2.66Å; E396-R399 IonicContact OE2-CZ 3.4Å; E396-R399 IonicContact OE2-NE 2.72Å; E396-R399 PolarHBondContact OE2-NE 2.98Å; E396-R399 IonicContact OE2-NH2 2.88Å; E396-R399 PolarHBondContact OE2-NH2 3.06Å; I397-R399 PolarHBondContact O-N 3.21Å; R399-T401 VanDerWaalsContact C-N 3.29Å; R399-T401 PolarHBondContact O-N 3.25Å; R399-Q402 PolarHBondContact O-N 3.11Å; R399-A405 HydrophobicContact CG-CB 3.76Å; R399-N406 VanDerWaalsContact C-ND2 3.34Å; R399-N406 PolarHBondContact NH1-ND2 3.45Å; R399-N406 PolarHBondContact NH1-OD1 3.3Å; R399-N406 PolarHBondContact O-ND2 3.25Å |
| 400 | R | 90 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -28 | -179.4 | -68.9 | -59.8 | -68.7 | -104 | -2.9 | 114 | G358 F362 E396 I397 M398 N406 E409 | G358-R400 PolarHBondContact O-NH2 3.18Å; G358-R400 VanDerWaalsContact O-NH2 3.07Å; F362-R400 HydrophobicContact CD1-CB 4.17Å; F362-R400 HydrophobicContact CD1-CG 4.32Å; F362-R400 HydrophobicContact CD2-CG 4.16Å; F362-R400 HydrophobicContact CE1-CB 3.76Å; F362-R400 HydrophobicContact CE1-CG 3.97Å; F362-R400 HydrophobicContact CE2-CG 3.81Å; F362-R400 HydrophobicContact CG-CG 4.4Å; F362-R400 HydrophobicContact CZ-CB 3.96Å; F362-R400 HydrophobicContact CZ-CG 3.72Å; E396-R400 HydrophobicContact CG-CG 4.35Å; E396-R400 WeakPolarHBondContact O-CB 3.24Å; E396-R400 WeakPolarHBondContact O-CG 3.49Å; E396-R400 PolarHBondContact O-N 3.44Å; E396-R400 WeakPolarHBondContact OE1-CD 3.49Å; E396-R400 WeakPolarHBondContact OE1-CG 3.26Å; I397-R400 PolarHBondContact O-N 3.14Å; M398-R400 VanDerWaalsContact C-N 3.34Å; M398-R400 PolarHBondContact O-N 3.33Å; R400-N406 VanDerWaalsContact CA-ND2 3.28Å; R400-N406 WeakPolarHBondContact CA-ND2 3.29Å; R400-E409 IonicContact CZ-OE1 3.71Å; R400-E409 IonicContact CZ-OE2 3.23Å; R400-E409 IonicContact NE-OE2 2.72Å; R400-E409 PolarHBondContact NE-OE2 3.42Å; R400-E409 VanDerWaalsContact NH2-CD 3.31Å; R400-E409 IonicContact NH2-OE1 3.59Å; R400-E409 PolarHBondContact NH2-OE1 3.29Å; R400-E409 IonicContact NH2-OE2 3.69Å; R400-E409 PolarHBondContact NH2-OE2 3.33Å |
| 401 | T | 89.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -84.1 | -10.6 | 176.4 | 62.6 | 0 | 0 | 0 | 0 | 114.3 | I397 M398 R399 F436 L437 C440 F441 | I397-T401 WeakPolarHBondContact O-CG2 2.97Å; I397-T401 PolarHBondContact O-N 2.91Å; I397-T401 PolarHBondContact O-OG1 3.31Å; M398-T401 PolarHBondContact O-N 3.23Å; M398-T401 VanDerWaalsContact O-N 3.17Å; M398-T401 PolarHBondContact O-OG1 3.37Å; R399-T401 VanDerWaalsContact C-N 3.29Å; R399-T401 PolarHBondContact O-N 3.25Å; T401-F436 HydrophobicContact CG2-CE1 4.16Å; T401-L437 HydrophobicContact CG2-CD2 3.85Å; T401-C440 HydrophobicContact CG2-CB 3.87Å; T401-F441 HydrophobicContact CG2-CE1 4.33Å |
| 402 | Q | 89.1 | Confident | 87.9 | Confident | 16 Ų | 16 | 40 Ų | 40 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | trans | -90.4 | 129.5 | 179.1 | -54.8 | -49.8 | -79.5 | 0 | 0 | 112.4 | M398 R399 E404 A405 N406 D503 | M398-Q402 WeakPolarHBondContact O-CG 3.39Å; M398-Q402 PolarHBondContact O-N 3.38Å; R399-Q402 PolarHBondContact O-N 3.11Å; Q402-E404 VanDerWaalsContact C-N 3.34Å; Q402-E404 PolarHBondContact O-N 3.29Å; Q402-A405 PolarHBondContact O-N 3.29Å; Q402-N406 PolarHBondContact O-N 3.49Å; Q402-D503 VanDerWaalsContact CA-OD1 3.25Å; Q402-D503 WeakPolarHBondContact CA-OD1 3.5Å; Q402-D503 PolarHBondContact OE1-O 3.47Å | ||
| 403 | F | 86.1 | Confident | 87.3 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -38.5 | 169.8 | -80.2 | -91.7 | 0 | 0 | 0 | 112.5 | A405 N406 K407 L410 E411 W433 E499 R502 D503 | F403-A405 PolarHBondContact O-N 2.83Å; F403-A405 VanDerWaalsContact O-N 3.15Å; F403-N406 PolarHBondContact O-N 3Å; F403-K407 WeakPolarHBondContact O-CB 3.28Å; F403-K407 PolarHBondContact O-N 2.94Å; F403-L410 HydrophobicContact CD1-CB 4.22Å; F403-L410 HydrophobicContact CD1-CD1 4.41Å; F403-L410 HydrophobicContact CD2-CD1 4.06Å; F403-L410 HydrophobicContact CE1-CB 3.79Å; F403-L410 HydrophobicContact CE2-CD1 4.25Å; F403-L410 HydrophobicContact CG-CD1 4.14Å; F403-L410 HydrophobicContact CZ-CB 3.95Å; F403-L410 HydrophobicContact CZ-CD1 4.49Å; F403-E411 HydrophobicContact CE1-CG 4.46Å; F403-W433 HydrophobicContact CD2-CH2 4.37Å; F403-W433 HydrophobicContact CD2-CZ2 4.49Å; F403-W433 AromaticContact CE2-CH2 3.65Å; F403-W433 HydrophobicContact CE2-CH2 3.65Å; F403-W433 AromaticContact CE2-CZ2 3.58Å; F403-W433 HydrophobicContact CE2-CZ2 3.58Å; F403-W433 HydrophobicContact CE2-CZ3 4.34Å; F403-W433 HydrophobicContact CZ-CH2 4.22Å; F403-W433 HydrophobicContact CZ-CZ2 4.26Å; F403-W433 HydrophobicContact CZ-CZ3 4.49Å; F403-E499 HydrophobicContact CB-CB 4.05Å; F403-E499 HydrophobicContact CB-CG 4.23Å; F403-R502 HydrophobicContact CD2-CB 3.66Å; F403-R502 HydrophobicContact CD2-CG 4.49Å; F403-R502 HydrophobicContact CE2-CB 3.91Å; F403-R502 HydrophobicContact CE2-CG 4.41Å; F403-R502 HydrophobicContact CG-CB 4.39Å; F403-D503 WeakPolarHBondContact CA-OD1 3.42Å; F403-D503 WeakPolarHBondContact CB-OD1 3.45Å; F403-D503 PolarHBondContact N-OD1 3.33Å |
| 404 | E | 83.5 | Confident | 86.3 | Confident | 92 Ų | 92 | 40.7 Ų | 40.7 | 43% | 0.43 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.1 | -35.7 | 177.9 | -172.6 | -174.8 | 166.6 | 0 | 0 | 111.8 | Q402 R466 D503 | Q402-E404 VanDerWaalsContact C-N 3.34Å; Q402-E404 PolarHBondContact O-N 3.29Å; E404-R466 IonicContact OE1-CZ 3.87Å; E404-R466 IonicContact OE1-NH1 2.91Å; E404-R466 PolarHBondContact OE1-NH1 3.09Å; E404-R466 IonicContact OE1-NH2 2.71Å; E404-R466 PolarHBondContact OE1-NH2 2.88Å; E404-R466 IonicContact OE2-CZ 3.51Å; E404-R466 IonicContact OE2-NE 3.4Å; E404-R466 IonicContact OE2-NH1 3.17Å; E404-R466 PolarHBondContact OE2-NH1 3.5Å; E404-R466 IonicContact OE2-NH2 3.86Å; E404-R466 PolarHBondContact OE2-NH2 3.38Å; E404-D503 VanDerWaalsContact CB-OD2 3.3Å; E404-D503 WeakPolarHBondContact CB-OD2 3.17Å; E404-D503 PolarHBondContact N-OD2 3.14Å |
| 405 | A | 82.1 | Confident | 85.1 | Confident | 49 Ų | 49 | 45.9 Ų | 45.9 | 41% | 0.405 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -94.7 | -34.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R399 Q402 F403 | R399-A405 HydrophobicContact CG-CB 3.76Å; Q402-A405 PolarHBondContact O-N 3.29Å; F403-A405 PolarHBondContact O-N 2.83Å; F403-A405 VanDerWaalsContact O-N 3.15Å |
| 406 | N | 83.9 | Confident | 83.9 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -134.2 | 27.2 | -169.1 | -58.2 | -72.3 | 0 | 0 | 0 | 114.7 | R399 R400 Q402 F403 P408 E409 L410 | R399-N406 VanDerWaalsContact C-ND2 3.34Å; R399-N406 PolarHBondContact NH1-ND2 3.45Å; R399-N406 PolarHBondContact NH1-OD1 3.3Å; R399-N406 PolarHBondContact O-ND2 3.25Å; R400-N406 VanDerWaalsContact CA-ND2 3.28Å; R400-N406 WeakPolarHBondContact CA-ND2 3.29Å; Q402-N406 PolarHBondContact O-N 3.49Å; F403-N406 PolarHBondContact O-N 3Å; N406-P408 VanDerWaalsContact C-N 3.34Å; N406-P408 WeakPolarHBondContact O-CD 3.43Å; N406-P408 VanDerWaalsContact O-N 3.08Å; N406-E409 PolarHBondContact O-N 3.32Å; N406-L410 HydrophobicContact CB-CG 4.49Å; N406-L410 PolarHBondContact O-N 2.92Å |
| 407 | K | 84 | Confident | 82.6 | Confident | 73 Ų | 73 | 54.1 Ų | 54.1 | 32% | 0.317 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -33.4 | -52.9 | 173.4 | -173.2 | 175.9 | -171.7 | 167.6 | 0 | 116.3 | F403 E409 L410 E411 E499 | F403-K407 WeakPolarHBondContact O-CB 3.28Å; F403-K407 PolarHBondContact O-N 2.94Å; K407-E409 PolarHBondContact O-N 3.34Å; K407-L410 PolarHBondContact O-N 3.48Å; K407-E411 VanDerWaalsContact CE-CD 3.49Å; K407-E411 WeakPolarHBondContact CE-OE1 3.34Å; K407-E411 HydrophobicContact CG-CG 4Å; K407-E411 IonicContact NZ-OE1 3.6Å; K407-E411 WeakPolarHBondContact O-CB 3.06Å; K407-E411 WeakPolarHBondContact O-CG 3.34Å; K407-E411 PolarHBondContact O-N 2.99Å; K407-E499 VanDerWaalsContact CD-OE1 3.32Å; K407-E499 WeakPolarHBondContact CD-OE1 3.34Å; K407-E499 WeakPolarHBondContact CE-OE1 3.4Å; K407-E499 IonicContact NZ-OE1 2.88Å; K407-E499 PolarHBondContact NZ-OE1 3.22Å |
| 408 | P | 82.8 | Confident | 80.8 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 63% | 0.63 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.4 | -23.6 | -174.4 | 26.5 | -37.2 | 0 | 0 | 0 | 114.2 | N406 V412 | N406-P408 VanDerWaalsContact C-N 3.34Å; N406-P408 WeakPolarHBondContact O-CD 3.43Å; N406-P408 VanDerWaalsContact O-N 3.08Å; P408-V412 VanDerWaalsContact O-CG2 3.3Å; P408-V412 WeakPolarHBondContact O-CG2 3.45Å |
| 409 | E | 82.8 | Confident | 79 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -87.5 | -35.4 | 177.1 | -62 | -174.4 | 158.5 | 0 | 0 | 111.7 | L356 G358 R400 N406 K407 V412 | L356-E409 WeakPolarHBondContact CD2-OE1 3.35Å; G358-E409 PolarHBondContact N-OE1 3.33Å; G358-E409 VanDerWaalsContact N-OE1 3.15Å; R400-E409 IonicContact CZ-OE1 3.71Å; R400-E409 IonicContact CZ-OE2 3.23Å; R400-E409 IonicContact NE-OE2 2.72Å; R400-E409 PolarHBondContact NE-OE2 3.42Å; R400-E409 VanDerWaalsContact NH2-CD 3.31Å; R400-E409 IonicContact NH2-OE1 3.59Å; R400-E409 PolarHBondContact NH2-OE1 3.29Å; R400-E409 IonicContact NH2-OE2 3.69Å; R400-E409 PolarHBondContact NH2-OE2 3.33Å; N406-E409 PolarHBondContact O-N 3.32Å; K407-E409 PolarHBondContact O-N 3.34Å; E409-V412 PolarHBondContact O-N 3.46Å |
| 410 | L | 84.4 | Confident | 76.9 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -79.3 | -27.4 | -176.4 | -52.1 | -177.7 | 0 | 0 | 0 | 112.7 | A359 F403 N406 K407 V412 L413 W433 F436 | A359-L410 HydrophobicContact CB-CD2 4.49Å; F403-L410 HydrophobicContact CD1-CB 4.22Å; F403-L410 HydrophobicContact CD1-CD1 4.41Å; F403-L410 HydrophobicContact CD2-CD1 4.06Å; F403-L410 HydrophobicContact CE1-CB 3.79Å; F403-L410 HydrophobicContact CE2-CD1 4.25Å; F403-L410 HydrophobicContact CG-CD1 4.14Å; F403-L410 HydrophobicContact CZ-CB 3.95Å; F403-L410 HydrophobicContact CZ-CD1 4.49Å; N406-L410 HydrophobicContact CB-CG 4.49Å; N406-L410 PolarHBondContact O-N 2.92Å; K407-L410 PolarHBondContact O-N 3.48Å; L410-V412 PolarHBondContact O-N 3.24Å; L410-L413 HydrophobicContact CD2-CD1 4.39Å; L410-L413 PolarHBondContact O-N 3.22Å; L410-W433 HydrophobicContact CB-CE3 4.45Å; L410-W433 HydrophobicContact CB-CH2 4.46Å; L410-W433 HydrophobicContact CB-CZ3 3.84Å; L410-W433 HydrophobicContact CD1-CH2 3.79Å; L410-W433 HydrophobicContact CD1-CZ3 3.82Å; L410-W433 HydrophobicContact CD2-CE3 4.49Å; L410-W433 HydrophobicContact CD2-CH2 4.33Å; L410-W433 HydrophobicContact CD2-CZ3 3.56Å; L410-W433 HydrophobicContact CG-CH2 4.37Å; L410-W433 HydrophobicContact CG-CZ3 3.88Å; L410-F436 HydrophobicContact CD2-CD1 4.45Å; L410-F436 HydrophobicContact CD2-CE1 3.79Å; L410-F436 HydrophobicContact CD2-CZ 4.23Å |
| 411 | E | 83.2 | Confident | 74.6 | Confident | 113 Ų | 113 | 74 Ų | 74 | 53% | 0.528 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -16.5 | 174.1 | -74.3 | -175.5 | 156.5 | 0 | 0 | 113.6 | F403 K407 | F403-E411 HydrophobicContact CE1-CG 4.46Å; K407-E411 VanDerWaalsContact CE-CD 3.49Å; K407-E411 WeakPolarHBondContact CE-OE1 3.34Å; K407-E411 HydrophobicContact CG-CG 4Å; K407-E411 IonicContact NZ-OE1 3.6Å; K407-E411 WeakPolarHBondContact O-CB 3.06Å; K407-E411 WeakPolarHBondContact O-CG 3.34Å; K407-E411 PolarHBondContact O-N 2.99Å |
| 412 | V | 81.9 | Confident | 72 | Confident | 121 Ų | 121 | 80.4 Ų | 80.4 | 73% | 0.733 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -22.7 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | P408 E409 L410 | P408-V412 VanDerWaalsContact O-CG2 3.3Å; P408-V412 WeakPolarHBondContact O-CG2 3.45Å; E409-V412 PolarHBondContact O-N 3.46Å; L410-V412 PolarHBondContact O-N 3.24Å |
| 413 | L | 80.9 | Confident | 69.3 | Low | 11 Ų | 11 | 89.1 Ų | 89.1 | 6% | 0.058 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -70.3 | 133.4 | -179.7 | -67.5 | 169.7 | 0 | 0 | 0 | 110.8 | A359 L360 L410 E432 W433 F436 | A359-L413 HydrophobicContact CB-CD1 3.74Å; A359-L413 HydrophobicContact CB-CD2 4.13Å; A359-L413 HydrophobicContact CB-CG 4.17Å; L360-L413 HydrophobicContact CD2-CD2 4.43Å; L360-L413 HydrophobicContact CG-CD2 4.37Å; L410-L413 HydrophobicContact CD2-CD1 4.39Å; L410-L413 PolarHBondContact O-N 3.22Å; L413-E432 HydrophobicContact CD2-CB 4.38Å; L413-W433 HydrophobicContact CB-CB 4.39Å; L413-W433 HydrophobicContact CD1-CE3 3.64Å; L413-W433 HydrophobicContact CD1-CZ3 4.21Å; L413-F436 HydrophobicContact CD1-CB 4.05Å; L413-F436 HydrophobicContact CD1-CD1 4.06Å; L413-F436 HydrophobicContact CD1-CG 4.01Å |
| 414 | D | 71.8 | Confident | 66.7 | Low | 65 Ų | 65 | 95.4 Ų | 95.4 | 35% | 0.348 | 50% | 0.497 | S | S | . | . | trans | -68.2 | 137.4 | -179.1 | -159.2 | -8.9 | 0 | 0 | 0 | 111.5 | E416 E432 W433 | D414-E416 WeakPolarHBondContact OD1-CB 3.49Å; D414-E416 WeakPolarHBondContact OD1-CG 3.49Å; D414-E416 PolarHBondContact OD1-N 2.83Å; D414-E432 HydrophobicContact CB-CB 4.33Å; D414-E432 HydrophobicContact CB-CG 3.92Å; D414-E432 WeakPolarHBondContact CB-OE2 3.32Å; D414-E432 PolarHBondContact N-OE2 3.21Å; D414-E432 PolarHBondContact O-N 3.42Å; D414-W433 PolarHBondContact O-N 3.39Å | ||
| 415 | N | 68.2 | Low | 64.1 | Low | 109 Ų | 109 | 99.3 Ų | 99.3 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | trans | -103.3 | 3.3 | 174.4 | -68.2 | -64.7 | 0 | 0 | 0 | 112.1 | T431 | N415-T431 VanDerWaalsContact O-CG2 3.29Å; N415-T431 WeakPolarHBondContact O-CG2 3.25Å | ||
| 416 | E | 68.8 | Low | 61.7 | Low | 144 Ų | 144 | 106.1 Ų | 106.1 | 67% | 0.673 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -77.7 | 154.1 | 170.2 | -63 | -171.6 | -179 | 0 | 0 | 111.3 | D414 | D414-E416 WeakPolarHBondContact OD1-CB 3.49Å; D414-E416 WeakPolarHBondContact OD1-CG 3.49Å; D414-E416 PolarHBondContact OD1-N 2.83Å |
| 417 | L | 63.4 | Low | 59.6 | Low | 112 Ų | 112 | 113.4 Ų | 113.4 | 59% | 0.586 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 126 | -177.7 | -63.1 | 178.7 | 0 | 0 | 0 | 109.6 | E419 S429 T431 | L417-E419 PolarHBondContact O-N 2.88Å; L417-S429 WeakPolarHBondContact CD2-O 3.37Å; L417-S429 WeakPolarHBondContact CD2-OG 3.03Å; L417-T431 HydrophobicContact CD2-CG2 4.26Å |
| 418 | M | 57.4 | Low | 57.6 | Low | 72 Ų | 72 | 115.8 Ų | 115.8 | 36% | 0.355 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 131.8 | 174.6 | -61 | -66.9 | -75.2 | 0 | 0 | 110.3 | D420 A430 E432 | M418-D420 VanDerWaalsContact C-N 3.27Å; M418-D420 PolarHBondContact O-N 2.77Å; M418-A430 WeakPolarHBondContact CG-O 3.09Å; M418-E432 HydrophobicContact SD-CG 3.83Å |
| 419 | E | 54.4 | Low | 55.9 | Low | 192 Ų | 192 | 113.8 Ų | 113.8 | 90% | 0.897 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -14.3 | -173.7 | -64.8 | -173.4 | 160.1 | 0 | 0 | 114.1 | L417 | L417-E419 PolarHBondContact O-N 2.88Š|
| 420 | D | 47.4 | Very low | 54.9 | Low | 134 Ų | 134 | 113.2 Ų | 113.2 | 72% | 0.717 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 3.2 | -156.8 | -80.3 | -22.6 | 0 | 0 | 0 | 118 | M418 T422 | M418-D420 VanDerWaalsContact C-N 3.27Å; M418-D420 PolarHBondContact O-N 2.77Å; D420-T422 PolarHBondContact O-N 2.75Å |
| 421 | D | 40.5 | Very low | 54.6 | Low | 104 Ų | 104 | 114.2 Ų | 114.2 | 56% | 0.556 | 59% | 0.585 | S | S | * | * | trans | -87 | 70.8 | -178.7 | -77.9 | -26.8 | 0 | 0 | 0 | 113.4 | F423 | D421-F423 PolarHBondContact O-N 3.29Š| ||
| 422 | T | 35.5 | Very low | 54.5 | Low | 135 Ų | 135 | 111.7 Ų | 111.7 | 83% | 0.828 | 57% | 0.573 | S | S | * | * | trans | -83.6 | 7.9 | 176.3 | 17.5 | 0 | 0 | 0 | 0 | 115.4 | D420 | D420-T422 PolarHBondContact O-N 2.75Š| ||
| 423 | F | 32.6 | Very low | 54.6 | Low | 199 Ų | 199 | 107.5 Ų | 107.5 | 87% | 0.873 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -143.2 | 14.6 | -172 | -142.5 | -99.7 | 0 | 0 | 0 | 120.1 | D421 | D421-F423 PolarHBondContact O-N 3.29Š|
| 424 | I | 30.8 | Very low | 54.8 | Low | 143 Ų | 143 | 109.3 Ų | 109.3 | 73% | 0.733 | 55% | 0.552 | S | S | * | * | trans | -121.4 | 108.3 | 167.4 | -56.9 | -173.9 | 0 | 0 | 0 | 111.1 | F426 | I424-F426 PolarHBondContact O-N 3.12Š| ||
| 425 | Q | 29.9 | Very low | 55.5 | Low | 174 Ų | 174 | 109.8 Ų | 109.8 | 81% | 0.813 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.2 | 120 | 173.2 | -122.1 | 171.5 | -15.9 | 0 | 0 | 111.6 | ||
| 426 | F | 31.8 | Very low | 56.6 | Low | 192 Ų | 192 | 104.7 Ų | 104.7 | 84% | 0.842 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 22.8 | 161.5 | -74.5 | -76.8 | 0 | 0 | 0 | 120.2 | I424 | I424-F426 PolarHBondContact O-N 3.12Š|
| 427 | Q | 38.5 | Very low | 57.6 | Low | 161 Ų | 161 | 97.9 Ų | 97.9 | 75% | 0.752 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -114.7 | 129.8 | 155.1 | -97.5 | 167.5 | -47 | 0 | 0 | 109.8 | ||
| 428 | T | 43.3 | Very low | 58.9 | Low | 124 Ų | 124 | 95.7 Ų | 95.7 | 76% | 0.761 | 48% | 0.482 | S | S | * | . | trans | -39.8 | 133.1 | 176.3 | 27.1 | 0 | 0 | 0 | 0 | 111.6 | A430 | T428-A430 PolarHBondContact O-N 3.22Š| ||
| 429 | S | 47.4 | Very low | 60.4 | Low | 55 Ų | 55 | 95.9 Ų | 95.9 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | trans | -33.4 | 107.6 | 160.7 | 46.4 | 0 | 0 | 0 | 0 | 109.6 | L417 | L417-S429 WeakPolarHBondContact CD2-O 3.37Å; L417-S429 WeakPolarHBondContact CD2-OG 3.03Å | ||
| 430 | A | 60.7 | Low | 62.3 | Low | 14 Ų | 14 | 86.7 Ų | 86.7 | 12% | 0.116 | 44% | 0.44 | C | S | . | . | trans | -82.5 | 137.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | M418 T428 Q434 Q435 | M418-A430 WeakPolarHBondContact CG-O 3.09Å; T428-A430 PolarHBondContact O-N 3.22Å; A430-Q434 HydrophobicContact CB-CB 4.3Å; A430-Q434 HydrophobicContact CB-CG 4.5Å; A430-Q435 HydrophobicContact CB-CG 4.19Å | ||
| 431 | T | 79 | Confident | 64.5 | Low | 25 Ų | 25 | 80.6 Ų | 80.6 | 15% | 0.153 | 41% | 0.406 | C | S | . | . | trans | -76.4 | 163.2 | 167.2 | 61.3 | 0 | 0 | 0 | 0 | 109.5 | N415 L417 W433 Q434 Q435 | N415-T431 VanDerWaalsContact O-CG2 3.29Å; N415-T431 WeakPolarHBondContact O-CG2 3.25Å; L417-T431 HydrophobicContact CD2-CG2 4.26Å; T431-W433 PolarHBondContact O-N 3.1Å; T431-Q434 PolarHBondContact O-N 2.96Å; T431-Q434 PolarHBondContact OG1-N 3.36Å; T431-Q435 PolarHBondContact O-N 3.19Å | ||
| 432 | E | 80.3 | Confident | 67 | Low | 59 Ų | 59 | 79.9 Ų | 79.9 | 28% | 0.276 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.2 | -38.4 | 173.9 | -64.7 | -173.8 | 158.7 | 0 | 0 | 111.3 | L413 D414 M418 Q434 Q435 F436 | L413-E432 HydrophobicContact CD2-CB 4.38Å; D414-E432 HydrophobicContact CB-CB 4.33Å; D414-E432 HydrophobicContact CB-CG 3.92Å; D414-E432 WeakPolarHBondContact CB-OE2 3.32Å; D414-E432 PolarHBondContact N-OE2 3.21Å; D414-E432 PolarHBondContact O-N 3.42Å; M418-E432 HydrophobicContact SD-CG 3.83Å; E432-Q434 PolarHBondContact O-N 3.04Å; E432-Q435 PolarHBondContact O-N 3.36Å; E432-F436 WeakPolarHBondContact O-CB 3.18Å; E432-F436 PolarHBondContact O-N 2.99Å |
| 433 | W | 83.7 | Confident | 69.7 | Low | 33 Ų | 33 | 74.2 Ų | 74.2 | 13% | 0.125 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.8 | -45.5 | 172.2 | 171.6 | -112 | 0 | 0 | 0 | 112.8 | F403 L410 L413 D414 T431 F436 L437 | F403-W433 HydrophobicContact CD2-CH2 4.37Å; F403-W433 HydrophobicContact CD2-CZ2 4.49Å; F403-W433 AromaticContact CE2-CH2 3.65Å; F403-W433 HydrophobicContact CE2-CH2 3.65Å; F403-W433 AromaticContact CE2-CZ2 3.58Å; F403-W433 HydrophobicContact CE2-CZ2 3.58Å; F403-W433 HydrophobicContact CE2-CZ3 4.34Å; F403-W433 HydrophobicContact CZ-CH2 4.22Å; F403-W433 HydrophobicContact CZ-CZ2 4.26Å; F403-W433 HydrophobicContact CZ-CZ3 4.49Å; L410-W433 HydrophobicContact CB-CE3 4.45Å; L410-W433 HydrophobicContact CB-CH2 4.46Å; L410-W433 HydrophobicContact CB-CZ3 3.84Å; L410-W433 HydrophobicContact CD1-CH2 3.79Å; L410-W433 HydrophobicContact CD1-CZ3 3.82Å; L410-W433 HydrophobicContact CD2-CE3 4.49Å; L410-W433 HydrophobicContact CD2-CH2 4.33Å; L410-W433 HydrophobicContact CD2-CZ3 3.56Å; L410-W433 HydrophobicContact CG-CH2 4.37Å; L410-W433 HydrophobicContact CG-CZ3 3.88Å; L413-W433 HydrophobicContact CB-CB 4.39Å; L413-W433 HydrophobicContact CD1-CE3 3.64Å; L413-W433 HydrophobicContact CD1-CZ3 4.21Å; D414-W433 PolarHBondContact O-N 3.39Å; T431-W433 PolarHBondContact O-N 3.1Å; W433-F436 HydrophobicContact CE3-CD1 4.12Å; W433-F436 AromaticContact CZ3-CD1 3.84Å; W433-F436 HydrophobicContact CZ3-CD1 3.84Å; W433-F436 HydrophobicContact CZ3-CE1 4.07Å; W433-F436 PolarHBondContact O-N 3.5Å; W433-L437 HydrophobicContact CD2-CD1 4.38Å; W433-L437 HydrophobicContact CD2-CG 4.31Å; W433-L437 HydrophobicContact CH2-CD1 4.4Å; W433-L437 HydrophobicContact CH2-CD2 3.74Å; W433-L437 HydrophobicContact CH2-CG 4.17Å; W433-L437 HydrophobicContact CZ2-CD1 3.62Å; W433-L437 HydrophobicContact CZ2-CD2 3.8Å; W433-L437 HydrophobicContact CZ2-CG 3.86Å; W433-L437 HydrophobicContact CZ3-CD2 4.27Å; W433-L437 WeakPolarHBondContact O-CG 3.28Å; W433-L437 PolarHBondContact O-N 3.45Å; W433-L437 VanDerWaalsContact O-N 3.11Å |
| 434 | Q | 85.4 | Confident | 72.6 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 23% | 0.229 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.6 | -39.7 | -179.7 | -170.1 | 62.5 | 46 | 0 | 0 | 111.9 | A430 T431 E432 F436 L437 D438 Q509 | A430-Q434 HydrophobicContact CB-CB 4.3Å; A430-Q434 HydrophobicContact CB-CG 4.5Å; T431-Q434 PolarHBondContact O-N 2.96Å; T431-Q434 PolarHBondContact OG1-N 3.36Å; E432-Q434 PolarHBondContact O-N 3.04Å; Q434-F436 VanDerWaalsContact C-N 3.33Å; Q434-F436 PolarHBondContact O-N 3.24Å; Q434-L437 PolarHBondContact O-N 3.02Å; Q434-D438 PolarHBondContact NE2-OD1 2.72Å; Q434-D438 WeakPolarHBondContact O-CB 3.43Å; Q434-D438 PolarHBondContact O-N 3.19Å; Q434-Q509 VanDerWaalsContact NE2-OE1 3.1Å |
| 435 | Q | 87.1 | Confident | 75.5 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 174.2 | -86.8 | -171.6 | -10.3 | 0 | 0 | 112.1 | A430 T431 E432 D438 Q439 | A430-Q435 HydrophobicContact CB-CG 4.19Å; T431-Q435 PolarHBondContact O-N 3.19Å; E432-Q435 PolarHBondContact O-N 3.36Å; Q435-D438 PolarHBondContact O-N 3.43Å; Q435-Q439 WeakPolarHBondContact O-CG 3.14Å; Q435-Q439 PolarHBondContact O-N 2.88Å |
| 436 | F | 90.5 | Very high | 78.5 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 175.8 | 168.5 | -102.2 | 0 | 0 | 0 | 111.9 | A359 F362 T363 T401 L410 L413 E432 W433 Q434 C440 | A359-F436 HydrophobicContact CB-CD2 3.73Å; A359-F436 HydrophobicContact CB-CE2 3.62Å; A359-F436 HydrophobicContact CB-CG 4.28Å; A359-F436 HydrophobicContact CB-CZ 4.09Å; A359-F436 WeakPolarHBondContact O-CD2 3.48Å; A359-F436 VanDerWaalsContact O-CE2 3.3Å; A359-F436 WeakPolarHBondContact O-CE2 3.41Å; F362-F436 HydrophobicContact CD1-CE2 4.02Å; F362-F436 HydrophobicContact CD1-CZ 4.36Å; T363-F436 HydrophobicContact CG2-CD2 3.46Å; T363-F436 VanDerWaalsContact CG2-CD2 3.46Å; T363-F436 HydrophobicContact CG2-CE2 3.81Å; T363-F436 HydrophobicContact CG2-CG 4.48Å; T401-F436 HydrophobicContact CG2-CE1 4.16Å; L410-F436 HydrophobicContact CD2-CD1 4.45Å; L410-F436 HydrophobicContact CD2-CE1 3.79Å; L410-F436 HydrophobicContact CD2-CZ 4.23Å; L413-F436 HydrophobicContact CD1-CB 4.05Å; L413-F436 HydrophobicContact CD1-CD1 4.06Å; L413-F436 HydrophobicContact CD1-CG 4.01Å; E432-F436 WeakPolarHBondContact O-CB 3.18Å; E432-F436 PolarHBondContact O-N 2.99Å; W433-F436 HydrophobicContact CE3-CD1 4.12Å; W433-F436 AromaticContact CZ3-CD1 3.84Å; W433-F436 HydrophobicContact CZ3-CD1 3.84Å; W433-F436 HydrophobicContact CZ3-CE1 4.07Å; W433-F436 PolarHBondContact O-N 3.5Å; Q434-F436 VanDerWaalsContact C-N 3.33Å; Q434-F436 PolarHBondContact O-N 3.24Å; F436-C440 PolarHBondContact O-N 3.09Å; F436-C440 VanDerWaalsContact O-N 3.14Å; F436-C440 PolarHBondContact O-SG 3.3Å |
| 437 | L | 90.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 176.7 | -72.2 | -173.5 | 0 | 0 | 0 | 112 | T401 W433 Q434 Q439 C440 F441 T506 | T401-L437 HydrophobicContact CG2-CD2 3.85Å; W433-L437 HydrophobicContact CD2-CD1 4.38Å; W433-L437 HydrophobicContact CD2-CG 4.31Å; W433-L437 HydrophobicContact CH2-CD1 4.4Å; W433-L437 HydrophobicContact CH2-CD2 3.74Å; W433-L437 HydrophobicContact CH2-CG 4.17Å; W433-L437 HydrophobicContact CZ2-CD1 3.62Å; W433-L437 HydrophobicContact CZ2-CD2 3.8Å; W433-L437 HydrophobicContact CZ2-CG 3.86Å; W433-L437 HydrophobicContact CZ3-CD2 4.27Å; W433-L437 WeakPolarHBondContact O-CG 3.28Å; W433-L437 PolarHBondContact O-N 3.45Å; W433-L437 VanDerWaalsContact O-N 3.11Å; Q434-L437 PolarHBondContact O-N 3.02Å; L437-Q439 PolarHBondContact O-N 2.85Å; L437-C440 WeakPolarHBondContact O-CB 3.34Å; L437-C440 PolarHBondContact O-N 3.21Å; L437-F441 HydrophobicContact CB-CD2 4.32Å; L437-F441 HydrophobicContact CB-CE2 3.86Å; L437-F441 HydrophobicContact CB-CZ 4.28Å; L437-F441 HydrophobicContact CD1-CE2 4.42Å; L437-F441 HydrophobicContact CD2-CE2 4.44Å; L437-F441 HydrophobicContact CD2-CZ 4.02Å; L437-F441 HydrophobicContact CG-CE2 4.49Å; L437-F441 WeakPolarHBondContact O-CB 3.5Å; L437-F441 VanDerWaalsContact O-CD2 3.29Å; L437-F441 WeakPolarHBondContact O-CD2 3.26Å; L437-F441 WeakPolarHBondContact O-CG 3.3Å; L437-F441 PolarHBondContact O-N 3.31Å; L437-T506 HydrophobicContact CD2-CG2 3.81Å |
| 438 | D | 89.9 | Confident | 83.8 | Confident | 66 Ų | 66 | 34.8 Ų | 34.8 | 35% | 0.353 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.7 | -45.4 | -178.9 | -71.9 | -15.2 | 0 | 0 | 0 | 111 | Q434 Q435 C440 F441 E442 | Q434-D438 PolarHBondContact NE2-OD1 2.72Å; Q434-D438 WeakPolarHBondContact O-CB 3.43Å; Q434-D438 PolarHBondContact O-N 3.19Å; Q435-D438 PolarHBondContact O-N 3.43Å; D438-C440 PolarHBondContact O-N 3.03Å; D438-F441 PolarHBondContact O-N 2.91Å; D438-E442 WeakPolarHBondContact O-CG 3.41Å; D438-E442 PolarHBondContact O-N 3.18Å |
| 439 | Q | 90.6 | Very high | 86 | Confident | 76 Ų | 76 | 34 Ų | 34 | 36% | 0.355 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 177.1 | -68.6 | 178.9 | 22.5 | 0 | 0 | 112.8 | T363 Q435 L437 S443 | T363-Q439 HydrophobicContact CG2-CB 3.93Å; Q435-Q439 WeakPolarHBondContact O-CG 3.14Å; Q435-Q439 PolarHBondContact O-N 2.88Å; L437-Q439 PolarHBondContact O-N 2.85Å; Q439-S443 PolarHBondContact O-N 2.78Å; Q439-S443 PolarHBondContact O-OG 2.78Å; Q439-S443 VanDerWaalsContact O-OG 3.05Å |
| 440 | C | 93.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 173.2 | -71.7 | 0 | 0 | 0 | 0 | 111.4 | I397 T401 F436 L437 D438 S443 L444 | I397-C440 HydrophobicContact CG2-CB 3.84Å; T401-C440 HydrophobicContact CG2-CB 3.87Å; F436-C440 PolarHBondContact O-N 3.09Å; F436-C440 VanDerWaalsContact O-N 3.14Å; F436-C440 PolarHBondContact O-SG 3.3Å; L437-C440 WeakPolarHBondContact O-CB 3.34Å; L437-C440 PolarHBondContact O-N 3.21Å; D438-C440 PolarHBondContact O-N 3.03Å; C440-S443 WeakPolarHBondContact O-CB 3.48Å; C440-S443 PolarHBondContact O-N 3.14Å; C440-L444 PolarHBondContact O-N 2.91Å |
| 441 | F | 93.6 | Very high | 88.8 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.022 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74 | -30 | -177.8 | -59.3 | -24.6 | 0 | 0 | 0 | 113.2 | T401 L437 D438 S443 L444 A445 T506 Q509 A510 R513 | T401-F441 HydrophobicContact CG2-CE1 4.33Å; L437-F441 HydrophobicContact CB-CD2 4.32Å; L437-F441 HydrophobicContact CB-CE2 3.86Å; L437-F441 HydrophobicContact CB-CZ 4.28Å; L437-F441 HydrophobicContact CD1-CE2 4.42Å; L437-F441 HydrophobicContact CD2-CE2 4.44Å; L437-F441 HydrophobicContact CD2-CZ 4.02Å; L437-F441 HydrophobicContact CG-CE2 4.49Å; L437-F441 WeakPolarHBondContact O-CB 3.5Å; L437-F441 VanDerWaalsContact O-CD2 3.29Å; L437-F441 WeakPolarHBondContact O-CD2 3.26Å; L437-F441 WeakPolarHBondContact O-CG 3.3Å; L437-F441 PolarHBondContact O-N 3.31Å; D438-F441 PolarHBondContact O-N 2.91Å; F441-S443 VanDerWaalsContact C-N 3.3Å; F441-L444 HydrophobicContact CD1-CD1 3.96Å; F441-L444 PolarHBondContact O-N 3.28Å; F441-A445 WeakPolarHBondContact O-CB 3.42Å; F441-A445 PolarHBondContact O-N 3.46Å; F441-T506 HydrophobicContact CE1-CG2 4.42Å; F441-T506 HydrophobicContact CZ-CG2 3.82Å; F441-T506 WeakPolarHBondContact CZ-O 3.45Å; F441-Q509 HydrophobicContact CD2-CB 4.43Å; F441-Q509 HydrophobicContact CE2-CB 3.58Å; F441-Q509 HydrophobicContact CZ-CB 4.21Å; F441-A510 HydrophobicContact CD1-CB 3.92Å; F441-A510 HydrophobicContact CE1-CB 3.58Å; F441-A510 HydrophobicContact CE2-CB 4.47Å; F441-A510 HydrophobicContact CZ-CB 3.87Å; F441-R513 HydrophobicContact CB-CB 4.16Å; F441-R513 HydrophobicContact CB-CG 3.95Å |
| 442 | E | 92.4 | Very high | 89.2 | Confident | 90 Ų | 90 | 32.5 Ų | 32.5 | 42% | 0.421 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 167.6 | -74.7 | -51.4 | 139 | 0 | 0 | 111.3 | D438 A445 L446 R513 | D438-E442 WeakPolarHBondContact O-CG 3.41Å; D438-E442 PolarHBondContact O-N 3.18Å; E442-A445 PolarHBondContact O-N 2.97Å; E442-L446 WeakPolarHBondContact O-CB 3.46Å; E442-L446 PolarHBondContact O-N 3.5Å; E442-R513 IonicContact OE1-CZ 3.56Å; E442-R513 IonicContact OE1-NE 3.98Å; E442-R513 PolarHBondContact OE1-NE 3.17Å; E442-R513 IonicContact OE1-NH1 2.85Å; E442-R513 IonicContact OE1-NH2 2.78Å; E442-R513 PolarHBondContact OE1-NH2 3.42Å; E442-R513 IonicContact OE2-CZ 3.05Å; E442-R513 IonicContact OE2-NE 3.51Å; E442-R513 IonicContact OE2-NH2 2.84Å; E442-R513 PolarHBondContact OE2-NH2 3.19Å |
| 443 | S | 92.3 | Very high | 89.5 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 11% | 0.105 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 175.6 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | Q439 C440 F441 L446 L447 | Q439-S443 PolarHBondContact O-N 2.78Å; Q439-S443 PolarHBondContact O-OG 2.78Å; Q439-S443 VanDerWaalsContact O-OG 3.05Å; C440-S443 WeakPolarHBondContact O-CB 3.48Å; C440-S443 PolarHBondContact O-N 3.14Å; F441-S443 VanDerWaalsContact C-N 3.3Å; S443-L446 PolarHBondContact O-N 2.85Å; S443-L447 WeakPolarHBondContact O-CG 3.5Å; S443-L447 PolarHBondContact O-N 3.34Å |
| 444 | L | 94.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 172.5 | -69 | -178.9 | 0 | 0 | 0 | 112.4 | V394 I397 M398 C440 F441 L446 L447 A448 V460 L514 | V394-L444 HydrophobicContact CB-CD2 4.3Å; V394-L444 HydrophobicContact CG1-CD2 3.94Å; V394-L444 HydrophobicContact CG2-CD2 4.22Å; I397-L444 HydrophobicContact CB-CD2 4.03Å; I397-L444 HydrophobicContact CD1-CD2 3.97Å; I397-L444 HydrophobicContact CG2-CD1 4.13Å; I397-L444 HydrophobicContact CG2-CD2 3.9Å; I397-L444 HydrophobicContact CG2-CG 3.82Å; M398-L444 HydrophobicContact CG-CD1 4.5Å; M398-L444 HydrophobicContact SD-CD1 3.74Å; C440-L444 PolarHBondContact O-N 2.91Å; F441-L444 HydrophobicContact CD1-CD1 3.96Å; F441-L444 PolarHBondContact O-N 3.28Å; L444-L446 VanDerWaalsContact C-N 3.32Å; L444-L446 PolarHBondContact O-N 3.17Å; L444-L447 PolarHBondContact O-N 2.96Å; L444-A448 WeakPolarHBondContact O-CB 3.21Å; L444-A448 PolarHBondContact O-N 3.05Å; L444-V460 HydrophobicContact CD1-CG2 4.23Å; L444-L514 HydrophobicContact CB-CD2 4.41Å |
| 445 | A | 92.7 | Very high | 89.8 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F441 E442 A448 N449 R513 L514 L517 | F441-A445 WeakPolarHBondContact O-CB 3.42Å; F441-A445 PolarHBondContact O-N 3.46Å; E442-A445 PolarHBondContact O-N 2.97Å; A445-A448 PolarHBondContact O-N 3.43Å; A445-N449 PolarHBondContact O-N 3.27Å; A445-N449 PolarHBondContact O-ND2 3.48Å; A445-N449 VanDerWaalsContact O-ND2 3.14Å; A445-R513 HydrophobicContact CB-CG 4.44Å; A445-L514 HydrophobicContact CB-CD2 4.43Å; A445-L517 HydrophobicContact CB-CD1 4.08Å |
| 446 | L | 91.9 | Very high | 89.9 | Confident | 32 Ų | 32 | 27.1 Ų | 27.1 | 17% | 0.168 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 174.3 | -175.2 | 64.9 | 0 | 0 | 0 | 112.1 | T370 I373 K374 E442 S443 L444 N449 T450 | T370-L446 HydrophobicContact CG2-CD2 3.89Å; I373-L446 HydrophobicContact CB-CD2 4.02Å; I373-L446 HydrophobicContact CB-CG 4.27Å; I373-L446 HydrophobicContact CD1-CD2 4.26Å; I373-L446 HydrophobicContact CG2-CD2 4.05Å; I373-L446 HydrophobicContact CG2-CG 3.73Å; K374-L446 HydrophobicContact CG-CD1 3.97Å; K374-L446 HydrophobicContact CG-CD2 4.47Å; E442-L446 WeakPolarHBondContact O-CB 3.46Å; E442-L446 PolarHBondContact O-N 3.5Å; S443-L446 PolarHBondContact O-N 2.85Å; L444-L446 VanDerWaalsContact C-N 3.32Å; L444-L446 PolarHBondContact O-N 3.17Å; L446-N449 PolarHBondContact O-N 2.99Å; L446-T450 PolarHBondContact O-N 3.11Å; L446-T450 PolarHBondContact O-OG1 2.92Å |
| 447 | L | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 174.6 | -72.1 | 166.2 | 0 | 0 | 0 | 111.9 | I373 L390 L393 V394 I397 S443 L444 T450 R451 V456 | I373-L447 HydrophobicContact CD1-CD2 3.58Å; I373-L447 HydrophobicContact CD1-CG 3.96Å; I373-L447 HydrophobicContact CG1-CD2 3.95Å; I373-L447 HydrophobicContact CG2-CD2 4.19Å; L390-L447 HydrophobicContact CB-CD2 4.47Å; L390-L447 HydrophobicContact CD2-CD2 3.85Å; L393-L447 HydrophobicContact CD2-CD1 4.01Å; L393-L447 HydrophobicContact CD2-CD2 4.38Å; L393-L447 HydrophobicContact CG-CD1 4.23Å; V394-L447 HydrophobicContact CG2-CB 4.34Å; V394-L447 HydrophobicContact CG2-CD1 3.77Å; I397-L447 HydrophobicContact CD1-CD1 4.03Å; S443-L447 WeakPolarHBondContact O-CG 3.5Å; S443-L447 PolarHBondContact O-N 3.34Å; L444-L447 PolarHBondContact O-N 2.96Å; L447-T450 PolarHBondContact O-N 3.47Å; L447-T450 VanDerWaalsContact O-N 3.13Å; L447-R451 PolarHBondContact O-N 3.22Å; L447-V456 HydrophobicContact CB-CG2 4.47Å |
| 448 | A | 90.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L444 A445 T450 G452 A453 V456 L514 L517 | L444-A448 WeakPolarHBondContact O-CB 3.21Å; L444-A448 PolarHBondContact O-N 3.05Å; A445-A448 PolarHBondContact O-N 3.43Å; A448-T450 PolarHBondContact O-N 3.46Å; A448-G452 CarbonylContact O-C 3.58Å; A448-G452 WeakPolarHBondContact O-CA 3.39Å; A448-G452 PolarHBondContact O-N 3.46Å; A448-A453 PolarHBondContact O-N 3.22Å; A448-V456 HydrophobicContact CB-CB 4.01Å; A448-V456 HydrophobicContact CB-CG1 4.23Å; A448-V456 HydrophobicContact CB-CG2 4.18Å; A448-L514 HydrophobicContact CB-CD2 3.89Å; A448-L517 HydrophobicContact CB-CD1 3.83Å |
| 449 | N | 88.1 | Confident | 89.9 | Confident | 108 Ų | 108 | 26.2 Ų | 26.2 | 58% | 0.578 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -63.5 | -27.8 | 174.9 | -77.2 | -39.9 | 0 | 0 | 0 | 113.4 | A445 L446 L517 | A445-N449 PolarHBondContact O-N 3.27Å; A445-N449 PolarHBondContact O-ND2 3.48Å; A445-N449 VanDerWaalsContact O-ND2 3.14Å; L446-N449 PolarHBondContact O-N 2.99Å; N449-L517 WeakPolarHBondContact OD1-CD2 3.32Å |
| 450 | T | 85.4 | Confident | 89.8 | Confident | 12 Ų | 12 | 22.6 Ų | 22.6 | 7% | 0.074 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -85.4 | -47.1 | -176.3 | -57 | 0 | 0 | 0 | 0 | 112.1 | I373 I376 A377 I383 L446 L447 A448 | I373-T450 HydrophobicContact CG2-CG2 4.2Å; I373-T450 WeakPolarHBondContact CG2-OG1 3.49Å; I376-T450 HydrophobicContact CG2-CG2 4.06Å; A377-T450 HydrophobicContact CB-CG2 3.8Å; I383-T450 HydrophobicContact CD1-CG2 4.26Å; I383-T450 VanDerWaalsContact CD1-O 3.25Å; I383-T450 WeakPolarHBondContact CD1-O 3.37Å; L446-T450 PolarHBondContact O-N 3.11Å; L446-T450 PolarHBondContact O-OG1 2.92Å; L447-T450 PolarHBondContact O-N 3.47Å; L447-T450 VanDerWaalsContact O-N 3.13Å; A448-T450 PolarHBondContact O-N 3.46Å |
| 451 | R | 83.4 | Confident | 89.6 | Confident | 28 Ų | 28 | 25.1 Ų | 25.1 | 11% | 0.106 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -96.6 | -19.2 | -172 | -61.2 | -177.7 | 69.5 | -168.3 | -3.8 | 114.1 | I383 N387 L390 T391 L447 | I383-R451 HydrophobicContact CG2-CG 4.35Å; N387-R451 PolarHBondContact O-NH1 3.27Å; N387-R451 PolarHBondContact O-NH2 2.95Å; N387-R451 PolarHBondContact OD1-NE 3.22Å; N387-R451 PolarHBondContact OD1-NH2 3.09Å; L390-R451 HydrophobicContact CD1-CG 4.08Å; L390-R451 PolarHBondContact O-NH1 3.27Å; T391-R451 VanDerWaalsContact OG1-CZ 3.31Å; T391-R451 PolarHBondContact OG1-NH1 3.24Å; T391-R451 PolarHBondContact OG1-NH2 2.8Å; L447-R451 PolarHBondContact O-N 3.22Å |
| 452 | G | 85.6 | Confident | 89.3 | Confident | 23 Ų | 23 | 29.9 Ų | 29.9 | 24% | 0.237 | 16% | 0.163 | C | C | . | . | trans | 114.9 | 125.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A448 H454 I455 | A448-G452 CarbonylContact O-C 3.58Å; A448-G452 WeakPolarHBondContact O-CA 3.39Å; A448-G452 PolarHBondContact O-N 3.46Å; G452-H454 VanDerWaalsContact C-N 3.31Å; G452-H454 PolarHBondContact O-N 3.46Å; G452-I455 PolarHBondContact O-N 3.03Å | ||
| 453 | A | 87 | Confident | 89 | Confident | 15 Ų | 15 | 28.4 Ų | 28.4 | 12% | 0.124 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -39.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A448 I455 V456 F457 L517 M518 | A448-A453 PolarHBondContact O-N 3.22Å; A453-I455 VanDerWaalsContact C-N 3.27Å; A453-I455 PolarHBondContact O-N 2.84Å; A453-V456 PolarHBondContact O-N 3.38Å; A453-F457 WeakPolarHBondContact O-CB 3.39Å; A453-F457 PolarHBondContact O-N 3Å; A453-L517 HydrophobicContact CB-CB 3.99Å; A453-L517 WeakPolarHBondContact CB-O 3.37Å; A453-M518 VanDerWaalsContact C-SD 3.59Å; A453-M518 HydrophobicContact CB-CG 4.47Å; A453-M518 HydrophobicContact CB-SD 3.64Å |
| 454 | H | 86.9 | Confident | 88.7 | Confident | 32 Ų | 32 | 27.7 Ų | 27.7 | 15% | 0.148 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.6 | -33.4 | 179 | 69.7 | -73.7 | 0 | 0 | 0 | 114.4 | G452 A458 V527 E530 M531 Q534 | G452-H454 VanDerWaalsContact C-N 3.31Å; G452-H454 PolarHBondContact O-N 3.46Å; H454-A458 WeakPolarHBondContact O-CB 3.36Å; H454-A458 PolarHBondContact O-N 2.86Å; H454-A458 VanDerWaalsContact O-N 3.08Å; H454-V527 HydrophobicContact CB-CG1 4.43Å; H454-V527 WeakPolarHBondContact ND1-CG1 3.47Å; H454-E530 IonicContact CD2-OE2 3.45Å; H454-M531 HydrophobicContact CB-CG 3.7Å; H454-Q534 PolarHBondContact O-NE2 3.27Å; H454-Q534 PolarHBondContact O-OE1 3.43Å |
| 455 | I | 88.5 | Confident | 88 | Confident | 56 Ų | 56 | 30.5 Ų | 30.5 | 29% | 0.287 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -74.4 | -52.6 | -178.4 | -54.7 | 179 | 0 | 0 | 0 | 110 | G452 A453 F457 A458 Q459 | G452-I455 PolarHBondContact O-N 3.03Å; A453-I455 VanDerWaalsContact C-N 3.27Å; A453-I455 PolarHBondContact O-N 2.84Å; I455-F457 VanDerWaalsContact C-N 3.29Å; I455-F457 PolarHBondContact O-N 3.23Å; I455-A458 PolarHBondContact O-N 3.27Å; I455-Q459 PolarHBondContact O-N 3.14Å; I455-Q459 VanDerWaalsContact O-N 3.1Å |
| 456 | V | 90.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | -179.2 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | V394 L447 A448 A453 A458 Q459 V460 L514 | V394-V456 HydrophobicContact CG1-CG1 4.13Å; V394-V456 HydrophobicContact CG2-CG1 4.22Å; V394-V456 HydrophobicContact CG2-CG2 4.25Å; L447-V456 HydrophobicContact CB-CG2 4.47Å; A448-V456 HydrophobicContact CB-CB 4.01Å; A448-V456 HydrophobicContact CB-CG1 4.23Å; A448-V456 HydrophobicContact CB-CG2 4.18Å; A453-V456 PolarHBondContact O-N 3.38Å; V456-A458 PolarHBondContact O-N 3.06Å; V456-Q459 PolarHBondContact O-N 3.19Å; V456-V460 WeakPolarHBondContact O-CG2 3.47Å; V456-V460 PolarHBondContact O-N 3.29Å; V456-L514 HydrophobicContact CG1-CD1 4.29Å |
| 457 | F | 89.8 | Confident | 87 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 175.2 | -170.7 | -90.7 | 0 | 0 | 0 | 112.2 | A453 I455 Q459 V460 Y461 V511 L514 M518 Q534 L535 L538 I584 | A453-F457 WeakPolarHBondContact O-CB 3.39Å; A453-F457 PolarHBondContact O-N 3Å; I455-F457 VanDerWaalsContact C-N 3.29Å; I455-F457 PolarHBondContact O-N 3.23Å; F457-Q459 VanDerWaalsContact C-N 3.33Å; F457-Q459 PolarHBondContact O-N 3.32Å; F457-V460 PolarHBondContact O-N 2.96Å; F457-Y461 VanDerWaalsContact O-CB 3.29Å; F457-Y461 WeakPolarHBondContact O-CB 3.47Å; F457-Y461 PolarHBondContact O-N 3.33Å; F457-V511 HydrophobicContact CE2-CG1 4.37Å; F457-L514 HydrophobicContact CD2-CB 4.2Å; F457-M518 HydrophobicContact CB-CE 4.12Å; F457-M518 HydrophobicContact CB-CG 4.48Å; F457-M518 HydrophobicContact CB-SD 3.78Å; F457-M518 HydrophobicContact CD1-CE 3.9Å; F457-M518 HydrophobicContact CD2-CE 4.44Å; F457-M518 HydrophobicContact CD2-CG 3.82Å; F457-M518 HydrophobicContact CD2-SD 4.2Å; F457-M518 HydrophobicContact CE1-CE 4.39Å; F457-M518 HydrophobicContact CE2-CG 4.2Å; F457-M518 HydrophobicContact CG-CE 3.9Å; F457-M518 HydrophobicContact CG-CG 4.17Å; F457-M518 HydrophobicContact CG-SD 3.94Å; F457-Q534 HydrophobicContact CD1-CB 4.39Å; F457-Q534 HydrophobicContact CE1-CB 4.3Å; F457-L535 HydrophobicContact CZ-CD2 4.28Å; F457-L538 HydrophobicContact CE1-CD2 4.32Å; F457-L538 HydrophobicContact CE2-CD2 4.38Å; F457-L538 HydrophobicContact CZ-CD2 3.53Å; F457-I584 HydrophobicContact CE2-CD1 4.25Å; F457-I584 HydrophobicContact CZ-CD1 4.19Å |
| 458 | A | 89.3 | Confident | 86.6 | Confident | 29 Ų | 29 | 37.2 Ų | 37.2 | 24% | 0.24 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H454 I455 V456 Y461 N462 | H454-A458 WeakPolarHBondContact O-CB 3.36Å; H454-A458 PolarHBondContact O-N 2.86Å; H454-A458 VanDerWaalsContact O-N 3.08Å; I455-A458 PolarHBondContact O-N 3.27Å; V456-A458 PolarHBondContact O-N 3.06Å; A458-Y461 PolarHBondContact O-N 2.78Å; A458-N462 VanDerWaalsContact O-CG 3.25Å; A458-N462 PolarHBondContact O-N 3.5Å; A458-N462 PolarHBondContact O-ND2 3.38Å; A458-N462 PolarHBondContact O-OD1 3.46Å |
| 459 | Q | 90.4 | Very high | 86.2 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -48.1 | 175.6 | -68.5 | -176.2 | -80.7 | 0 | 0 | 111.5 | T391 V394 D395 I455 V456 F457 Y461 N462 H463 | T391-Q459 PolarHBondContact O-NE2 3.37Å; V394-Q459 HydrophobicContact CG1-CB 3.85Å; V394-Q459 HydrophobicContact CG1-CG 4.46Å; D395-Q459 PolarHBondContact OD1-NE2 3.28Å; I455-Q459 PolarHBondContact O-N 3.14Å; I455-Q459 VanDerWaalsContact O-N 3.1Å; V456-Q459 PolarHBondContact O-N 3.19Å; F457-Q459 VanDerWaalsContact C-N 3.33Å; F457-Q459 PolarHBondContact O-N 3.32Å; Q459-Y461 VanDerWaalsContact C-N 3.31Å; Q459-Y461 PolarHBondContact O-N 3.2Å; Q459-N462 WeakPolarHBondContact O-CB 3.44Å; Q459-N462 PolarHBondContact O-N 3.02Å; Q459-H463 PolarHBondContact O-CD2 3.24Å; Q459-H463 VanDerWaalsContact O-CD2 3.3Å |
| 460 | V | 89.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 176 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | M398 L444 V456 F457 N462 H463 V507 A510 V511 L514 | M398-V460 HydrophobicContact CE-CG1 4.15Å; M398-V460 HydrophobicContact CG-CG2 4.08Å; M398-V460 HydrophobicContact SD-CB 4.46Å; M398-V460 HydrophobicContact SD-CG1 4.17Å; M398-V460 HydrophobicContact SD-CG2 3.83Å; L444-V460 HydrophobicContact CD1-CG2 4.23Å; V456-V460 WeakPolarHBondContact O-CG2 3.47Å; V456-V460 PolarHBondContact O-N 3.29Å; F457-V460 PolarHBondContact O-N 2.96Å; V460-N462 VanDerWaalsContact C-N 3.27Å; V460-N462 PolarHBondContact O-N 2.68Å; V460-H463 WeakPolarHBondContact O-CB 3.46Å; V460-H463 PolarHBondContact O-N 2.84Å; V460-H463 VanDerWaalsContact O-N 3.16Å; V460-V507 HydrophobicContact CG1-CG1 4.34Å; V460-A510 HydrophobicContact CG1-CB 3.82Å; V460-V511 HydrophobicContact CG1-CG2 4.39Å; V460-L514 HydrophobicContact CB-CD1 4.25Å; V460-L514 HydrophobicContact CG2-CD1 3.75Å |
| 461 | Y | 87.1 | Confident | 85.5 | Confident | 52 Ų | 52 | 39.5 Ų | 39.5 | 20% | 0.204 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -28.1 | 178 | -176.7 | -107.3 | 0 | 0 | 0 | 113.2 | F457 A458 Q459 H463 W464 L538 S541 | F457-Y461 VanDerWaalsContact O-CB 3.29Å; F457-Y461 WeakPolarHBondContact O-CB 3.47Å; F457-Y461 PolarHBondContact O-N 3.33Å; A458-Y461 PolarHBondContact O-N 2.78Å; Q459-Y461 VanDerWaalsContact C-N 3.31Å; Q459-Y461 PolarHBondContact O-N 3.2Å; Y461-H463 PolarHBondContact O-N 3.24Å; Y461-W464 HydrophobicContact CD2-CB 3.9Å; Y461-W464 HydrophobicContact CD2-CG 4.13Å; Y461-W464 HydrophobicContact CE2-CB 4.06Å; Y461-W464 HydrophobicContact CE2-CD2 4.45Å; Y461-W464 AromaticContact CE2-CG 3.92Å; Y461-W464 HydrophobicContact CE2-CG 3.92Å; Y461-W464 WeakPolarHBondContact O-CB 3.3Å; Y461-W464 PolarHBondContact O-N 2.85Å; Y461-L538 HydrophobicContact CD2-CB 4.49Å; Y461-L538 HydrophobicContact CD2-CD1 3.91Å; Y461-L538 HydrophobicContact CE2-CB 4.15Å; Y461-L538 HydrophobicContact CE2-CD1 3.7Å; Y461-S541 PolarHBondContact OH-OG 3.09Å |
| 462 | N | 87.3 | Confident | 85.3 | Confident | 106 Ų | 106 | 39.8 Ų | 39.8 | 57% | 0.567 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -59.1 | -31.8 | 175.5 | -69.7 | -31.6 | 0 | 0 | 0 | 112.3 | A458 Q459 V460 W464 S465 | A458-N462 VanDerWaalsContact O-CG 3.25Å; A458-N462 PolarHBondContact O-N 3.5Å; A458-N462 PolarHBondContact O-ND2 3.38Å; A458-N462 PolarHBondContact O-OD1 3.46Å; Q459-N462 WeakPolarHBondContact O-CB 3.44Å; Q459-N462 PolarHBondContact O-N 3.02Å; V460-N462 VanDerWaalsContact C-N 3.27Å; V460-N462 PolarHBondContact O-N 2.68Å; N462-W464 VanDerWaalsContact C-N 3.26Å; N462-W464 PolarHBondContact O-N 3.42Å; N462-S465 PolarHBondContact O-OG 3.31Å; N462-S465 VanDerWaalsContact O-OG 3.05Å |
| 463 | H | 86.6 | Confident | 84.9 | Confident | 59 Ų | 59 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.5 | 175.8 | -62.9 | -84.9 | 0 | 0 | 0 | 113.4 | M398 Q459 V460 Y461 P467 V507 | M398-H463 HydrophobicContact CE-CB 4.4Å; Q459-H463 PolarHBondContact O-CD2 3.24Å; Q459-H463 VanDerWaalsContact O-CD2 3.3Å; V460-H463 WeakPolarHBondContact O-CB 3.46Å; V460-H463 PolarHBondContact O-N 2.84Å; V460-H463 VanDerWaalsContact O-N 3.16Å; Y461-H463 PolarHBondContact O-N 3.24Å; H463-P467 WeakPolarHBondContact O-CD 3.46Å; H463-V507 HydrophobicContact CB-CG2 3.84Å |
| 464 | W | 85.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -41.1 | 177.7 | -173 | -77.2 | 0 | 0 | 0 | 113.3 | Y461 N462 R466 P467 Q468 F504 V507 C508 L538 L542 | Y461-W464 HydrophobicContact CD2-CB 3.9Å; Y461-W464 HydrophobicContact CD2-CG 4.13Å; Y461-W464 HydrophobicContact CE2-CB 4.06Å; Y461-W464 HydrophobicContact CE2-CD2 4.45Å; Y461-W464 AromaticContact CE2-CG 3.92Å; Y461-W464 HydrophobicContact CE2-CG 3.92Å; Y461-W464 WeakPolarHBondContact O-CB 3.3Å; Y461-W464 PolarHBondContact O-N 2.85Å; N462-W464 VanDerWaalsContact C-N 3.26Å; N462-W464 PolarHBondContact O-N 3.42Å; W464-R466 VanDerWaalsContact C-N 3.33Å; W464-R466 PolarHBondContact O-N 3.08Å; W464-P467 WeakPolarHBondContact O-CD 3.48Å; W464-Q468 PolarHBondContact O-N 2.85Å; W464-F504 AromaticContact CD2-CE2 3.53Å; W464-F504 HydrophobicContact CD2-CE2 3.53Å; W464-F504 HydrophobicContact CD2-CZ 4.21Å; W464-F504 AromaticContact CE2-CE2 3.35Å; W464-F504 AromaticContact CE2-CZ 3.57Å; W464-F504 HydrophobicContact CE3-CD2 4.45Å; W464-F504 AromaticContact CE3-CE2 3.73Å; W464-F504 HydrophobicContact CE3-CE2 3.73Å; W464-F504 HydrophobicContact CG-CE2 4.16Å; W464-F504 HydrophobicContact CH2-CD2 4.44Å; W464-F504 AromaticContact CH2-CE2 3.43Å; W464-F504 HydrophobicContact CH2-CE2 3.43Å; W464-F504 VanDerWaalsContact CH2-CE2 3.43Å; W464-F504 AromaticContact CH2-CZ 3.91Å; W464-F504 HydrophobicContact CH2-CZ 3.91Å; W464-F504 AromaticContact CZ2-CE2 3.33Å; W464-F504 HydrophobicContact CZ2-CE2 3.33Å; W464-F504 AromaticContact CZ2-CZ 3.42Å; W464-F504 HydrophobicContact CZ2-CZ 3.42Å; W464-F504 VanDerWaalsContact CZ2-CZ 3.42Å; W464-F504 HydrophobicContact CZ3-CD2 4.41Å; W464-F504 AromaticContact CZ3-CE2 3.68Å; W464-F504 HydrophobicContact CZ3-CE2 3.68Å; W464-F504 AromaticContact NE1-CE2 3.95Å; W464-F504 AromaticContact NE1-CZ 3.88Å; W464-V507 HydrophobicContact CB-CG1 4.34Å; W464-V507 HydrophobicContact CE3-CG1 3.81Å; W464-C508 WeakPolarHBondContact CH2-SG 3.31Å; W464-C508 HydrophobicContact CZ3-CB 4.45Å; W464-C508 WeakPolarHBondContact CZ3-SG 3.33Å; W464-L538 HydrophobicContact CD2-CD1 3.85Å; W464-L538 HydrophobicContact CE3-CD1 3.81Å; W464-L538 HydrophobicContact CH2-CD1 4.2Å; W464-L538 HydrophobicContact CZ2-CD1 4.13Å; W464-L538 HydrophobicContact CZ3-CD1 4Å; W464-L542 HydrophobicContact CH2-CD2 3.2Å; W464-L542 HydrophobicContact CH2-CG 3.91Å; W464-L542 HydrophobicContact CZ2-CD2 3.61Å; W464-L542 HydrophobicContact CZ2-CG 3.96Å; W464-L542 HydrophobicContact CZ3-CD2 4.19Å |
| 465 | S | 80.6 | Confident | 83.6 | Confident | 60 Ų | 60 | 41.4 Ų | 41.4 | 42% | 0.42 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.4 | -40.5 | -167.3 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | N462 M469 | N462-S465 PolarHBondContact O-OG 3.31Å; N462-S465 VanDerWaalsContact O-OG 3.05Å; S465-M469 WeakPolarHBondContact O-CB 2.8Å; S465-M469 WeakPolarHBondContact O-CG 3.19Å; S465-M469 PolarHBondContact O-N 3.23Å |
| 466 | R | 81.1 | Confident | 83 | Confident | 153 Ų | 153 | 44.2 Ų | 44.2 | 58% | 0.577 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -71.3 | -52.1 | -173.9 | 175.7 | -179.2 | -177 | -168.8 | -5.6 | 112.8 | E404 W464 Q468 M469 Y470 | E404-R466 IonicContact OE1-CZ 3.87Å; E404-R466 IonicContact OE1-NH1 2.91Å; E404-R466 PolarHBondContact OE1-NH1 3.09Å; E404-R466 IonicContact OE1-NH2 2.71Å; E404-R466 PolarHBondContact OE1-NH2 2.88Å; E404-R466 IonicContact OE2-CZ 3.51Å; E404-R466 IonicContact OE2-NE 3.4Å; E404-R466 IonicContact OE2-NH1 3.17Å; E404-R466 PolarHBondContact OE2-NH1 3.5Å; E404-R466 IonicContact OE2-NH2 3.86Å; E404-R466 PolarHBondContact OE2-NH2 3.38Å; W464-R466 VanDerWaalsContact C-N 3.33Å; W464-R466 PolarHBondContact O-N 3.08Å; R466-Q468 VanDerWaalsContact C-N 3.31Å; R466-Q468 PolarHBondContact O-N 3.07Å; R466-M469 PolarHBondContact O-N 2.98Å; R466-Y470 WeakPolarHBondContact O-CB 3.46Å; R466-Y470 PolarHBondContact O-N 3.46Å |
| 467 | P | 82.6 | Confident | 81.9 | Confident | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.4 | -40.5 | 174.2 | -24.9 | 32.7 | 0 | 0 | 0 | 113.4 | H463 W464 Y470 L471 I500 F504 | H463-P467 WeakPolarHBondContact O-CD 3.46Å; W464-P467 WeakPolarHBondContact O-CD 3.48Å; P467-Y470 PolarHBondContact O-N 2.9Å; P467-L471 WeakPolarHBondContact O-CG 3.39Å; P467-L471 PolarHBondContact O-N 3.39Å; P467-I500 HydrophobicContact CB-CG2 3.85Å; P467-I500 HydrophobicContact CG-CG2 4.41Å; P467-F504 HydrophobicContact CB-CB 3.65Å; P467-F504 HydrophobicContact CB-CD1 3.82Å; P467-F504 HydrophobicContact CB-CD2 4.21Å; P467-F504 HydrophobicContact CB-CG 3.65Å; P467-F504 HydrophobicContact CG-CB 4.2Å; P467-F504 HydrophobicContact CG-CG 4.42Å |
| 468 | Q | 82.7 | Confident | 80.8 | Confident | 15 Ų | 15 | 45.9 Ų | 45.9 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -47.5 | 177.8 | -173.9 | -174.5 | 6.1 | 0 | 0 | 111.9 | W464 R466 Y470 L471 L472 F504 S541 | W464-Q468 PolarHBondContact O-N 2.85Å; R466-Q468 VanDerWaalsContact C-N 3.31Å; R466-Q468 PolarHBondContact O-N 3.07Å; Q468-Y470 VanDerWaalsContact C-N 3.28Å; Q468-Y470 PolarHBondContact O-N 3.24Å; Q468-L471 PolarHBondContact O-N 3.12Å; Q468-L472 HydrophobicContact CG-CD1 4.22Å; Q468-L472 WeakPolarHBondContact O-CG 3.31Å; Q468-L472 PolarHBondContact O-N 2.96Å; Q468-F504 HydrophobicContact CB-CE1 4.46Å; Q468-F504 HydrophobicContact CB-CZ 4.24Å; Q468-S541 PolarHBondContact NE2-O 2.92Å; Q468-S541 PolarHBondContact NE2-OG 3.15Å |
| 469 | M | 81.8 | Confident | 79.7 | Confident | 127 Ų | 127 | 48.4 Ų | 48.4 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.5 | -37.9 | 177.1 | -76.8 | -63.4 | -65 | 0 | 0 | 112.1 | S465 R466 L472 S473 | S465-M469 WeakPolarHBondContact O-CB 2.8Å; S465-M469 WeakPolarHBondContact O-CG 3.19Å; S465-M469 PolarHBondContact O-N 3.23Å; R466-M469 PolarHBondContact O-N 2.98Å; M469-L472 PolarHBondContact O-N 3.39Å; M469-L472 HydrophobicContact SD-CD1 4.5Å; M469-S473 WeakPolarHBondContact O-CB 3.43Å; M469-S473 PolarHBondContact O-N 3.19Å |
| 470 | Y | 80.6 | Confident | 78.3 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 175.2 | 177.1 | -94.8 | 0 | 0 | 0 | 111.4 | R466 P467 Q468 L472 S473 L474 L492 V497 I500 | R466-Y470 WeakPolarHBondContact O-CB 3.46Å; R466-Y470 PolarHBondContact O-N 3.46Å; P467-Y470 PolarHBondContact O-N 2.9Å; Q468-Y470 VanDerWaalsContact C-N 3.28Å; Q468-Y470 PolarHBondContact O-N 3.24Å; Y470-L472 PolarHBondContact O-N 3.31Å; Y470-S473 PolarHBondContact O-N 3.17Å; Y470-S473 PolarHBondContact O-OG 3.4Å; Y470-L474 HydrophobicContact CD1-CD1 3.94Å; Y470-L474 HydrophobicContact CE1-CD1 3.33Å; Y470-L474 HydrophobicContact CE1-CG 4.13Å; Y470-L474 PolarHBondContact O-N 3.2Å; Y470-L492 HydrophobicContact CE2-CD2 4.22Å; Y470-L492 PolarHBondContact OH-O 3.03Å; Y470-V497 HydrophobicContact CE1-CG1 4.19Å; Y470-V497 WeakPolarHBondContact OH-CG2 3.45Å; Y470-I500 HydrophobicContact CD1-CD1 3.97Å; Y470-I500 HydrophobicContact CD1-CG2 3.92Å; Y470-I500 HydrophobicContact CD2-CD1 4.07Å; Y470-I500 HydrophobicContact CE1-CD1 3.95Å; Y470-I500 HydrophobicContact CE2-CD1 4.06Å; Y470-I500 HydrophobicContact CG-CD1 4.03Å; Y470-I500 HydrophobicContact CG-CG2 4.4Å |
| 471 | L | 79.1 | Confident | 76.7 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 176.6 | -76.8 | 178.6 | 0 | 0 | 0 | 113.4 | P467 Q468 S473 L474 E475 L501 F504 L548 L573 | P467-L471 WeakPolarHBondContact O-CG 3.39Å; P467-L471 PolarHBondContact O-N 3.39Å; Q468-L471 PolarHBondContact O-N 3.12Å; L471-S473 VanDerWaalsContact C-N 3.34Å; L471-S473 PolarHBondContact O-N 3.47Å; L471-L474 HydrophobicContact CD2-CD1 4.46Å; L471-L474 WeakPolarHBondContact O-CB 3.41Å; L471-L474 PolarHBondContact O-N 3Å; L471-E475 PolarHBondContact O-N 2.87Å; L471-E475 VanDerWaalsContact O-N 3.09Å; L471-L501 HydrophobicContact CD2-CD2 4Å; L471-F504 HydrophobicContact CD1-CD1 3.7Å; L471-F504 HydrophobicContact CD1-CE1 3.72Å; L471-L548 HydrophobicContact CB-CD2 3.64Å; L471-L548 HydrophobicContact CD1-CD2 4.43Å; L471-L548 HydrophobicContact CG-CD2 4.46Å; L471-L573 HydrophobicContact CD1-CD2 3.89Å |
| 472 | L | 78.6 | Confident | 75.4 | Confident | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | 175 | -69.9 | 172.3 | 0 | 0 | 0 | 112.1 | Q468 M469 Y470 L474 E475 H476 Q544 | Q468-L472 HydrophobicContact CG-CD1 4.22Å; Q468-L472 WeakPolarHBondContact O-CG 3.31Å; Q468-L472 PolarHBondContact O-N 2.96Å; M469-L472 PolarHBondContact O-N 3.39Å; M469-L472 HydrophobicContact SD-CD1 4.5Å; Y470-L472 PolarHBondContact O-N 3.31Å; L472-L474 VanDerWaalsContact C-N 3.32Å; L472-L474 PolarHBondContact O-N 2.96Å; L472-E475 PolarHBondContact O-N 3.09Å; L472-H476 WeakPolarHBondContact O-CB 3.4Å; L472-H476 PolarHBondContact O-N 3.23Å; L472-Q544 HydrophobicContact CD2-CG 4.17Å |
| 473 | S | 77.1 | Confident | 74 | Confident | 49 Ų | 49 | 55 Ų | 55 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 176.8 | 77.8 | 0 | 0 | 0 | 0 | 112.3 | M469 Y470 L471 A477 | M469-S473 WeakPolarHBondContact O-CB 3.43Å; M469-S473 PolarHBondContact O-N 3.19Å; Y470-S473 PolarHBondContact O-N 3.17Å; Y470-S473 PolarHBondContact O-OG 3.4Å; L471-S473 VanDerWaalsContact C-N 3.34Å; L471-S473 PolarHBondContact O-N 3.47Å; S473-A477 WeakPolarHBondContact O-CB 3.46Å; S473-A477 PolarHBondContact O-N 3.14Å |
| 474 | L | 73.6 | Confident | 72.5 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 173.4 | -79.5 | 173.7 | 0 | 0 | 0 | 111.4 | Y470 L471 L472 A477 L478 L492 L554 | Y470-L474 HydrophobicContact CD1-CD1 3.94Å; Y470-L474 HydrophobicContact CE1-CD1 3.33Å; Y470-L474 HydrophobicContact CE1-CG 4.13Å; Y470-L474 PolarHBondContact O-N 3.2Å; L471-L474 HydrophobicContact CD2-CD1 4.46Å; L471-L474 WeakPolarHBondContact O-CB 3.41Å; L471-L474 PolarHBondContact O-N 3Å; L472-L474 VanDerWaalsContact C-N 3.32Å; L472-L474 PolarHBondContact O-N 2.96Å; L474-A477 PolarHBondContact O-N 3.16Å; L474-L478 VanDerWaalsContact O-CG 3.28Å; L474-L478 WeakPolarHBondContact O-CG 3.43Å; L474-L478 PolarHBondContact O-N 3.03Å; L474-L478 VanDerWaalsContact O-N 3.12Å; L474-L492 HydrophobicContact CD2-CB 3.54Å; L474-L492 HydrophobicContact CD2-CD1 4.11Å; L474-L492 HydrophobicContact CD2-CG 4.44Å; L474-L554 HydrophobicContact CB-CD2 4.35Å |
| 475 | E | 73.9 | Confident | 71.1 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 176.1 | -171.3 | -178.9 | -149.7 | 0 | 0 | 111.6 | L471 L472 A477 L478 D479 L548 | L471-E475 PolarHBondContact O-N 2.87Å; L471-E475 VanDerWaalsContact O-N 3.09Å; L472-E475 PolarHBondContact O-N 3.09Å; E475-A477 VanDerWaalsContact C-N 3.28Å; E475-A477 PolarHBondContact O-N 3.15Å; E475-L478 WeakPolarHBondContact O-CA 3.38Å; E475-L478 WeakPolarHBondContact O-CB 3.41Å; E475-L478 PolarHBondContact O-N 3.01Å; E475-D479 PolarHBondContact O-N 3.48Å; E475-L548 HydrophobicContact CB-CD1 3.53Å; E475-L548 HydrophobicContact CG-CD1 3.6Å; E475-L548 WeakPolarHBondContact OE1-CD1 3.46Å; E475-L548 WeakPolarHBondContact OE2-CD1 3.22Å |
| 476 | H | 74.2 | Confident | 70.3 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 53% | 0.532 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 179.6 | -169.1 | 77.9 | 0 | 0 | 0 | 112.2 | L472 L478 D479 H480 | L472-H476 WeakPolarHBondContact O-CB 3.4Å; L472-H476 PolarHBondContact O-N 3.23Å; H476-L478 VanDerWaalsContact C-N 3.31Å; H476-L478 PolarHBondContact O-N 3.04Å; H476-D479 PolarHBondContact O-N 3.33Å; H476-H480 AromaticContact CD2-CE1 3.87Å; H476-H480 AromaticContact CD2-ND1 3.92Å; H476-H480 AromaticContact CE1-CE1 3.05Å; H476-H480 PolarHBondContact CE1-CE1 3.31Å; H476-H480 AromaticContact CE1-ND1 3.82Å; H476-H480 AromaticContact CE1-NE2 3.78Å; H476-H480 AromaticContact CG-CE1 3.97Å; H476-H480 AromaticContact ND1-CE1 3.47Å; H476-H480 PolarHBondContact ND1-CE1 2.99Å; H476-H480 AromaticContact ND1-ND1 3.94Å; H476-H480 AromaticContact NE2-CE1 3.3Å; H476-H480 PolarHBondContact NE2-CE1 3.06Å; H476-H480 VanDerWaalsContact NE2-CE1 3.3Å; H476-H480 AromaticContact NE2-ND1 3.79Å; H476-H480 AromaticContact NE2-NE2 3.83Å; H476-H480 PolarHBondContact O-N 3.38Å; H476-H480 PolarHBondContact O-ND1 2.79Å |
| 477 | A | 68.4 | Low | 69.2 | Low | 17 Ų | 17 | 63.3 Ų | 63.3 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.4 | -33.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S473 L474 E475 S485 A489 | S473-A477 WeakPolarHBondContact O-CB 3.46Å; S473-A477 PolarHBondContact O-N 3.14Å; L474-A477 PolarHBondContact O-N 3.16Å; E475-A477 VanDerWaalsContact C-N 3.28Å; E475-A477 PolarHBondContact O-N 3.15Å; A477-S485 WeakPolarHBondContact O-CB 3.41Å; A477-S485 PolarHBondContact O-OG 3.18Å; A477-S485 VanDerWaalsContact O-OG 3.08Å; A477-A489 HydrophobicContact CB-CB 4.42Å |
| 478 | L | 67.1 | Low | 68 | Low | 21 Ų | 21 | 64.9 Ų | 64.9 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -74.6 | -36.5 | 176.8 | -68.3 | 169.1 | 0 | 0 | 0 | 112.1 | L474 E475 H476 H480 Y486 A489 L554 | L474-L478 VanDerWaalsContact O-CG 3.28Å; L474-L478 WeakPolarHBondContact O-CG 3.43Å; L474-L478 PolarHBondContact O-N 3.03Å; L474-L478 VanDerWaalsContact O-N 3.12Å; E475-L478 WeakPolarHBondContact O-CA 3.38Å; E475-L478 WeakPolarHBondContact O-CB 3.41Å; E475-L478 PolarHBondContact O-N 3.01Å; H476-L478 VanDerWaalsContact C-N 3.31Å; H476-L478 PolarHBondContact O-N 3.04Å; L478-H480 VanDerWaalsContact C-N 3.33Å; L478-H480 PolarHBondContact O-N 3.2Å; L478-Y486 HydrophobicContact CD2-CE1 4.27Å; L478-A489 HydrophobicContact CD2-CB 4.18Å; L478-L554 HydrophobicContact CD1-CD2 4Å |
| 479 | D | 66.1 | Low | 66.9 | Low | 82 Ų | 82 | 64.3 Ų | 64.3 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.2 | -27.6 | 179.6 | -82.9 | -14.9 | 0 | 0 | 0 | 113.5 | E475 H476 G481 R553 | E475-D479 PolarHBondContact O-N 3.48Å; H476-D479 PolarHBondContact O-N 3.33Å; D479-G481 VanDerWaalsContact C-N 3.28Å; D479-G481 PolarHBondContact O-N 3.16Å; D479-R553 IonicContact OD1-NH1 3.82Å; D479-R553 PolarHBondContact OD1-NH1 3.37Å |
| 480 | H | 60.5 | Low | 66 | Low | 118 Ų | 118 | 67.1 Ų | 67.1 | 55% | 0.546 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 4.9 | -176.7 | -73.6 | 67.7 | 0 | 0 | 0 | 115.1 | H476 L478 S482 | H476-H480 AromaticContact CD2-CE1 3.87Å; H476-H480 AromaticContact CD2-ND1 3.92Å; H476-H480 AromaticContact CE1-CE1 3.05Å; H476-H480 PolarHBondContact CE1-CE1 3.31Å; H476-H480 AromaticContact CE1-ND1 3.82Å; H476-H480 AromaticContact CE1-NE2 3.78Å; H476-H480 AromaticContact CG-CE1 3.97Å; H476-H480 AromaticContact ND1-CE1 3.47Å; H476-H480 PolarHBondContact ND1-CE1 2.99Å; H476-H480 AromaticContact ND1-ND1 3.94Å; H476-H480 AromaticContact NE2-CE1 3.3Å; H476-H480 PolarHBondContact NE2-CE1 3.06Å; H476-H480 VanDerWaalsContact NE2-CE1 3.3Å; H476-H480 AromaticContact NE2-ND1 3.79Å; H476-H480 AromaticContact NE2-NE2 3.83Å; H476-H480 PolarHBondContact O-N 3.38Å; H476-H480 PolarHBondContact O-ND1 2.79Å; L478-H480 VanDerWaalsContact C-N 3.33Å; L478-H480 PolarHBondContact O-N 3.2Å; H480-S482 PolarHBondContact O-N 3.5Å |
| 481 | G | 56.8 | Low | 65.1 | Low | 57 Ų | 57 | 73.3 Ų | 73.3 | 59% | 0.588 | 38% | 0.377 | S | S | * | . | trans | 53.9 | 12.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | D479 | D479-G481 VanDerWaalsContact C-N 3.28Å; D479-G481 PolarHBondContact O-N 3.16Å | ||
| 482 | S | 60.2 | Low | 64.1 | Low | 54 Ų | 54 | 76.2 Ų | 76.2 | 38% | 0.378 | 39% | 0.392 | S | S | . | . | trans | -101.3 | 149.1 | -176.2 | 78.6 | 0 | 0 | 0 | 0 | 111.1 | H480 R484 S485 Y486 | H480-S482 PolarHBondContact O-N 3.5Å; S482-R484 PolarHBondContact O-N 3.33Å; S482-S485 PolarHBondContact N-OG 3.42Å; S482-S485 PolarHBondContact O-N 3.13Å; S482-S485 PolarHBondContact O-OG 3.24Å; S482-S485 WeakPolarHBondContact OG-CB 3.48Å; S482-S485 PolarHBondContact OG-N 2.87Å; S482-S485 VanDerWaalsContact OG-N 3.12Å; S482-S485 PolarHBondContact OG-OG 2.83Å; S482-Y486 WeakPolarHBondContact O-CD2 3.4Å; S482-Y486 PolarHBondContact O-N 3.47Å; S482-Y486 VanDerWaalsContact O-N 3.13Å | ||
| 483 | A | 56.6 | Low | 63.1 | Low | 87 Ų | 87 | 77.5 Ų | 77.5 | 72% | 0.719 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -54.7 | -30.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | E487 | A483-E487 PolarHBondContact O-N 3.08Å |
| 484 | R | 55.8 | Low | 62.4 | Low | 207 Ų | 207 | 76.9 Ų | 76.9 | 78% | 0.781 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -73.7 | -30.9 | 174.5 | -70.4 | -177 | 176.8 | 179.1 | -0.6 | 113.4 | S482 E487 A488 | S482-R484 PolarHBondContact O-N 3.33Å; R484-E487 PolarHBondContact O-N 3.49Å; R484-A488 WeakPolarHBondContact O-CB 3.44Å; R484-A488 PolarHBondContact O-N 3.34Å |
| 485 | S | 56.2 | Low | 61.6 | Low | 13 Ų | 13 | 81 Ų | 81 | 9% | 0.091 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -77.9 | -31.8 | 178.8 | 71.4 | 0 | 0 | 0 | 0 | 112 | A477 S482 E487 A488 A489 | A477-S485 WeakPolarHBondContact O-CB 3.41Å; A477-S485 PolarHBondContact O-OG 3.18Å; A477-S485 VanDerWaalsContact O-OG 3.08Å; S482-S485 PolarHBondContact N-OG 3.42Å; S482-S485 PolarHBondContact O-N 3.13Å; S482-S485 PolarHBondContact O-OG 3.24Å; S482-S485 WeakPolarHBondContact OG-CB 3.48Å; S482-S485 PolarHBondContact OG-N 2.87Å; S482-S485 VanDerWaalsContact OG-N 3.12Å; S482-S485 PolarHBondContact OG-OG 2.83Å; S485-E487 VanDerWaalsContact C-N 3.35Å; S485-A488 PolarHBondContact O-N 3.44Å; S485-A489 WeakPolarHBondContact O-CB 3.44Å; S485-A489 PolarHBondContact O-N 3.06Å |
| 486 | Y | 62.4 | Low | 61.3 | Low | 113 Ų | 113 | 82.9 Ų | 82.9 | 44% | 0.443 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 167.1 | -79.3 | -79.8 | 0 | 0 | 0 | 112.8 | L478 S482 A489 R490 | L478-Y486 HydrophobicContact CD2-CE1 4.27Å; S482-Y486 WeakPolarHBondContact O-CD2 3.4Å; S482-Y486 PolarHBondContact O-N 3.47Å; S482-Y486 VanDerWaalsContact O-N 3.13Å; Y486-A489 PolarHBondContact O-N 3.14Å; Y486-R490 WeakPolarHBondContact O-CB 3.4Å; Y486-R490 PolarHBondContact O-N 2.97Å |
| 487 | E | 59.9 | Low | 61.5 | Low | 113 Ų | 113 | 77.9 Ų | 77.9 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.5 | -37 | 175.1 | -146.2 | 169.8 | -158.3 | 0 | 0 | 111.8 | A483 R484 S485 R490 K491 | A483-E487 PolarHBondContact O-N 3.08Å; R484-E487 PolarHBondContact O-N 3.49Å; S485-E487 VanDerWaalsContact C-N 3.35Å; E487-R490 PolarHBondContact O-N 3.43Å; E487-K491 WeakPolarHBondContact O-CG 3.48Å; E487-K491 PolarHBondContact O-N 2.9Å |
| 488 | A | 56.7 | Low | 61.8 | Low | 42 Ų | 42 | 78 Ų | 78 | 35% | 0.347 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R484 S485 R490 K491 L492 | R484-A488 WeakPolarHBondContact O-CB 3.44Å; R484-A488 PolarHBondContact O-N 3.34Å; S485-A488 PolarHBondContact O-N 3.44Å; A488-R490 VanDerWaalsContact C-N 3.33Å; A488-R490 PolarHBondContact O-N 3.24Å; A488-K491 PolarHBondContact O-N 3.02Å; A488-L492 WeakPolarHBondContact O-CB 3.43Å; A488-L492 WeakPolarHBondContact O-CG 3.5Å; A488-L492 PolarHBondContact O-N 3.19Å |
| 489 | A | 60.1 | Low | 62.6 | Low | 4 Ų | 4 | 78.2 Ų | 78.2 | 3% | 0.033 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.5 | -37 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | A477 L478 S485 Y486 L492 K493 | A477-A489 HydrophobicContact CB-CB 4.42Å; L478-A489 HydrophobicContact CD2-CB 4.18Å; S485-A489 WeakPolarHBondContact O-CB 3.44Å; S485-A489 PolarHBondContact O-N 3.06Å; Y486-A489 PolarHBondContact O-N 3.14Å; A489-L492 PolarHBondContact O-N 3.01Å; A489-K493 VanDerWaalsContact O-CB 3.3Å; A489-K493 WeakPolarHBondContact O-CB 3.31Å; A489-K493 VanDerWaalsContact O-CG 3.28Å; A489-K493 WeakPolarHBondContact O-CG 3.47Å; A489-K493 PolarHBondContact O-N 3.1Å |
| 490 | R | 62.4 | Low | 63.5 | Low | 186 Ų | 186 | 75.7 Ų | 75.7 | 70% | 0.702 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.3 | -36.5 | 173.8 | -171.7 | -178 | -79.4 | 163.6 | -6.4 | 112.3 | Y486 E487 A488 | Y486-R490 WeakPolarHBondContact O-CB 3.4Å; Y486-R490 PolarHBondContact O-N 2.97Å; E487-R490 PolarHBondContact O-N 3.43Å; A488-R490 VanDerWaalsContact C-N 3.33Å; A488-R490 PolarHBondContact O-N 3.24Å |
| 491 | K | 60.9 | Low | 64.7 | Low | 168 Ų | 168 | 70.1 Ų | 70.1 | 73% | 0.73 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -70.2 | -38.1 | 173.3 | -74.5 | 178 | -178.4 | -178.5 | 0 | 112.5 | E487 A488 G494 | E487-K491 WeakPolarHBondContact O-CG 3.48Å; E487-K491 PolarHBondContact O-N 2.9Å; A488-K491 PolarHBondContact O-N 3.02Å; K491-G494 PolarHBondContact O-N 3.33Å |
| 492 | L | 58.1 | Low | 66.1 | Low | 65 Ų | 65 | 71.3 Ų | 71.3 | 34% | 0.34 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 174.3 | -72.8 | 164.6 | 0 | 0 | 0 | 111 | Y470 L474 A488 A489 G494 | Y470-L492 HydrophobicContact CE2-CD2 4.22Å; Y470-L492 PolarHBondContact OH-O 3.03Å; L474-L492 HydrophobicContact CD2-CB 3.54Å; L474-L492 HydrophobicContact CD2-CD1 4.11Å; L474-L492 HydrophobicContact CD2-CG 4.44Å; A488-L492 WeakPolarHBondContact O-CB 3.43Å; A488-L492 WeakPolarHBondContact O-CG 3.5Å; A488-L492 PolarHBondContact O-N 3.19Å; A489-L492 PolarHBondContact O-N 3.01Å; L492-G494 PolarHBondContact O-N 3.36Å |
| 493 | K | 57.1 | Low | 67.5 | Low | 62 Ų | 62 | 69 Ų | 69 | 27% | 0.27 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 11.5 | 171 | -77.1 | -174.5 | 178.4 | -165.8 | 0 | 115.1 | A489 L554 | A489-K493 VanDerWaalsContact O-CB 3.3Å; A489-K493 WeakPolarHBondContact O-CB 3.31Å; A489-K493 VanDerWaalsContact O-CG 3.28Å; A489-K493 WeakPolarHBondContact O-CG 3.47Å; A489-K493 PolarHBondContact O-N 3.1Å; K493-L554 PolarHBondContact NZ-O 2.85Å; K493-L554 VanDerWaalsContact NZ-O 3.12Å |
| 494 | G | 62.6 | Low | 69.2 | Low | 37 Ų | 37 | 64.9 Ų | 64.9 | 38% | 0.381 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -60.4 | -179.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K491 L492 N496 V497 | K491-G494 PolarHBondContact O-N 3.33Å; L492-G494 PolarHBondContact O-N 3.36Å; G494-N496 PolarHBondContact O-N 3.44Å; G494-V497 WeakPolarHBondContact O-CG2 3.35Å; G494-V497 PolarHBondContact O-N 3.48Å |
| 495 | A | 56.8 | Low | 70.8 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 77% | 0.769 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -4.6 | -160.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 496 | N | 69.4 | Low | 72.4 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 6.5 | -170 | -59.5 | 23.6 | 0 | 0 | 0 | 113.9 | G494 G498 E499 I500 | G494-N496 PolarHBondContact O-N 3.44Å; N496-G498 PolarHBondContact O-N 3.32Å; N496-E499 PolarHBondContact O-N 3.3Å; N496-I500 WeakPolarHBondContact O-CG1 3.08Å; N496-I500 PolarHBondContact O-N 2.73Å; N496-I500 VanDerWaalsContact O-N 3.16Å |
| 497 | V | 76.4 | Confident | 73.9 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | -177.4 | -171 | 0 | 0 | 0 | 0 | 112.4 | Y470 G494 E499 I500 L501 F566 | Y470-V497 HydrophobicContact CE1-CG1 4.19Å; Y470-V497 WeakPolarHBondContact OH-CG2 3.45Å; G494-V497 WeakPolarHBondContact O-CG2 3.35Å; G494-V497 PolarHBondContact O-N 3.48Å; V497-E499 VanDerWaalsContact C-N 3.29Å; V497-E499 PolarHBondContact O-N 2.91Å; V497-I500 PolarHBondContact O-N 3.14Å; V497-L501 HydrophobicContact CG1-CD1 4.25Å; V497-L501 HydrophobicContact CG1-CG 4.32Å; V497-L501 WeakPolarHBondContact O-CG 3.05Å; V497-L501 PolarHBondContact O-N 2.84Å; V497-F566 HydrophobicContact CB-CE2 4.45Å; V497-F566 HydrophobicContact CG1-CD2 4.16Å; V497-F566 HydrophobicContact CG1-CE2 3.56Å |
| 498 | G | 76.7 | Confident | 75.3 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N496 L501 R502 | N496-G498 PolarHBondContact O-N 3.32Å; G498-L501 PolarHBondContact O-N 3.27Å; G498-R502 VanDerWaalsContact O-CG 3.3Å; G498-R502 WeakPolarHBondContact O-CG 3.37Å; G498-R502 PolarHBondContact O-N 2.85Å |
| 499 | E | 83.5 | Confident | 77 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -48.6 | 176.3 | -61.3 | 164.8 | -171.2 | 0 | 0 | 110.9 | F403 K407 N496 V497 L501 R502 D503 | F403-E499 HydrophobicContact CB-CB 4.05Å; F403-E499 HydrophobicContact CB-CG 4.23Å; K407-E499 VanDerWaalsContact CD-OE1 3.32Å; K407-E499 WeakPolarHBondContact CD-OE1 3.34Å; K407-E499 WeakPolarHBondContact CE-OE1 3.4Å; K407-E499 IonicContact NZ-OE1 2.88Å; K407-E499 PolarHBondContact NZ-OE1 3.22Å; N496-E499 PolarHBondContact O-N 3.3Å; V497-E499 VanDerWaalsContact C-N 3.29Å; V497-E499 PolarHBondContact O-N 2.91Å; E499-L501 VanDerWaalsContact C-N 3.32Å; E499-L501 PolarHBondContact O-N 3.34Å; E499-R502 PolarHBondContact O-N 2.66Å; E499-D503 VanDerWaalsContact O-CB 3.29Å; E499-D503 WeakPolarHBondContact O-CB 3.5Å; E499-D503 PolarHBondContact O-N 3.42Å |
| 500 | I | 84.5 | Confident | 78.5 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 179.1 | -64.1 | 167.5 | 0 | 0 | 0 | 111.7 | P467 Y470 N496 V497 F504 | P467-I500 HydrophobicContact CB-CG2 3.85Å; P467-I500 HydrophobicContact CG-CG2 4.41Å; Y470-I500 HydrophobicContact CD1-CD1 3.97Å; Y470-I500 HydrophobicContact CD1-CG2 3.92Å; Y470-I500 HydrophobicContact CD2-CD1 4.07Å; Y470-I500 HydrophobicContact CE1-CD1 3.95Å; Y470-I500 HydrophobicContact CE2-CD1 4.06Å; Y470-I500 HydrophobicContact CG-CD1 4.03Å; Y470-I500 HydrophobicContact CG-CG2 4.4Å; N496-I500 WeakPolarHBondContact O-CG1 3.08Å; N496-I500 PolarHBondContact O-N 2.73Å; N496-I500 VanDerWaalsContact O-N 3.16Å; V497-I500 PolarHBondContact O-N 3.14Å; I500-F504 WeakPolarHBondContact O-CB 3.47Å; I500-F504 PolarHBondContact O-N 2.9Å |
| 501 | L | 85.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -43.2 | 177.4 | -70 | 177 | 0 | 0 | 0 | 111.8 | L471 V497 G498 E499 F504 A505 F566 D569 L570 L573 | L471-L501 HydrophobicContact CD2-CD2 4Å; V497-L501 HydrophobicContact CG1-CD1 4.25Å; V497-L501 HydrophobicContact CG1-CG 4.32Å; V497-L501 WeakPolarHBondContact O-CG 3.05Å; V497-L501 PolarHBondContact O-N 2.84Å; G498-L501 PolarHBondContact O-N 3.27Å; E499-L501 VanDerWaalsContact C-N 3.32Å; E499-L501 PolarHBondContact O-N 3.34Å; L501-F504 PolarHBondContact O-N 3.43Å; L501-A505 PolarHBondContact O-N 2.99Å; L501-F566 HydrophobicContact CD1-CD2 3.88Å; L501-F566 HydrophobicContact CD1-CE2 3.58Å; L501-F566 HydrophobicContact CD1-CZ 4.34Å; L501-D569 HydrophobicContact CB-CB 4.18Å; L501-D569 HydrophobicContact CD1-CB 4.12Å; L501-L570 HydrophobicContact CD1-CB 4.41Å; L501-L570 HydrophobicContact CD1-CD1 4.47Å; L501-L570 HydrophobicContact CD2-CD1 4.17Å; L501-L573 HydrophobicContact CD2-CD2 3.56Å |
| 502 | R | 86.9 | Confident | 81.3 | Confident | 83 Ų | 83 | 28 Ų | 28 | 31% | 0.313 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.4 | -45.2 | 176.7 | -71.4 | 176.4 | -174.6 | -175 | 2.5 | 111.6 | F403 G498 E499 F504 A505 T506 D569 | F403-R502 HydrophobicContact CD2-CB 3.66Å; F403-R502 HydrophobicContact CD2-CG 4.49Å; F403-R502 HydrophobicContact CE2-CB 3.91Å; F403-R502 HydrophobicContact CE2-CG 4.41Å; F403-R502 HydrophobicContact CG-CB 4.39Å; G498-R502 VanDerWaalsContact O-CG 3.3Å; G498-R502 WeakPolarHBondContact O-CG 3.37Å; G498-R502 PolarHBondContact O-N 2.85Å; E499-R502 PolarHBondContact O-N 2.66Å; R502-F504 VanDerWaalsContact C-N 3.27Å; R502-F504 PolarHBondContact O-N 3.44Å; R502-A505 CarbonylContact O-C 3.49Å; R502-A505 WeakPolarHBondContact O-CB 3.35Å; R502-A505 PolarHBondContact O-N 3.34Å; R502-A505 VanDerWaalsContact O-N 3.1Å; R502-T506 PolarHBondContact O-N 2.88Å; R502-T506 PolarHBondContact O-OG1 2.86Å; R502-D569 IonicContact CZ-OD1 3.5Å; R502-D569 IonicContact CZ-OD2 2.67Å; R502-D569 IonicContact NE-OD1 3.56Å; R502-D569 PolarHBondContact NE-OD1 3.39Å; R502-D569 IonicContact NE-OD2 2.74Å; R502-D569 PolarHBondContact NE-OD2 2.85Å; R502-D569 IonicContact NH2-OD1 3.15Å; R502-D569 PolarHBondContact NH2-OD1 3.49Å; R502-D569 IonicContact NH2-OD2 2.76Å |
| 503 | D | 89.4 | Confident | 82.8 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -44.9 | 174.6 | -76.9 | -3 | 0 | 0 | 0 | 111.2 | Q402 F403 E404 E499 A505 T506 V507 | Q402-D503 VanDerWaalsContact CA-OD1 3.25Å; Q402-D503 WeakPolarHBondContact CA-OD1 3.5Å; Q402-D503 PolarHBondContact OE1-O 3.47Å; F403-D503 WeakPolarHBondContact CA-OD1 3.42Å; F403-D503 WeakPolarHBondContact CB-OD1 3.45Å; F403-D503 PolarHBondContact N-OD1 3.33Å; E404-D503 VanDerWaalsContact CB-OD2 3.3Å; E404-D503 WeakPolarHBondContact CB-OD2 3.17Å; E404-D503 PolarHBondContact N-OD2 3.14Å; E499-D503 VanDerWaalsContact O-CB 3.29Å; E499-D503 WeakPolarHBondContact O-CB 3.5Å; E499-D503 PolarHBondContact O-N 3.42Å; D503-A505 PolarHBondContact O-N 3.01Å; D503-T506 WeakPolarHBondContact O-CB 3.3Å; D503-T506 PolarHBondContact O-N 2.72Å; D503-V507 WeakPolarHBondContact O-CG2 3.47Å; D503-V507 PolarHBondContact O-N 3.07Å |
| 504 | F | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.2 | -162.4 | -174.6 | 0 | 0 | 0 | 112.5 | W464 P467 Q468 L471 I500 L501 R502 T506 V507 C508 T545 L573 | W464-F504 AromaticContact CD2-CE2 3.53Å; W464-F504 HydrophobicContact CD2-CE2 3.53Å; W464-F504 HydrophobicContact CD2-CZ 4.21Å; W464-F504 AromaticContact CE2-CE2 3.35Å; W464-F504 AromaticContact CE2-CZ 3.57Å; W464-F504 HydrophobicContact CE3-CD2 4.45Å; W464-F504 AromaticContact CE3-CE2 3.73Å; W464-F504 HydrophobicContact CE3-CE2 3.73Å; W464-F504 HydrophobicContact CG-CE2 4.16Å; W464-F504 HydrophobicContact CH2-CD2 4.44Å; W464-F504 AromaticContact CH2-CE2 3.43Å; W464-F504 HydrophobicContact CH2-CE2 3.43Å; W464-F504 VanDerWaalsContact CH2-CE2 3.43Å; W464-F504 AromaticContact CH2-CZ 3.91Å; W464-F504 HydrophobicContact CH2-CZ 3.91Å; W464-F504 AromaticContact CZ2-CE2 3.33Å; W464-F504 HydrophobicContact CZ2-CE2 3.33Å; W464-F504 AromaticContact CZ2-CZ 3.42Å; W464-F504 HydrophobicContact CZ2-CZ 3.42Å; W464-F504 VanDerWaalsContact CZ2-CZ 3.42Å; W464-F504 HydrophobicContact CZ3-CD2 4.41Å; W464-F504 AromaticContact CZ3-CE2 3.68Å; W464-F504 HydrophobicContact CZ3-CE2 3.68Å; W464-F504 AromaticContact NE1-CE2 3.95Å; W464-F504 AromaticContact NE1-CZ 3.88Å; P467-F504 HydrophobicContact CB-CB 3.65Å; P467-F504 HydrophobicContact CB-CD1 3.82Å; P467-F504 HydrophobicContact CB-CD2 4.21Å; P467-F504 HydrophobicContact CB-CG 3.65Å; P467-F504 HydrophobicContact CG-CB 4.2Å; P467-F504 HydrophobicContact CG-CG 4.42Å; Q468-F504 HydrophobicContact CB-CE1 4.46Å; Q468-F504 HydrophobicContact CB-CZ 4.24Å; L471-F504 HydrophobicContact CD1-CD1 3.7Å; L471-F504 HydrophobicContact CD1-CE1 3.72Å; I500-F504 WeakPolarHBondContact O-CB 3.47Å; I500-F504 PolarHBondContact O-N 2.9Å; L501-F504 PolarHBondContact O-N 3.43Å; R502-F504 VanDerWaalsContact C-N 3.27Å; R502-F504 PolarHBondContact O-N 3.44Å; F504-T506 VanDerWaalsContact C-N 3.35Å; F504-V507 PolarHBondContact O-N 3.16Å; F504-C508 PolarHBondContact O-N 3.41Å; F504-C508 PolarHBondContact O-SG 3.45Å; F504-T545 HydrophobicContact CE1-CG2 3.71Å; F504-T545 HydrophobicContact CZ-CG2 3.99Å; F504-L573 HydrophobicContact CB-CD1 3.76Å; F504-L573 HydrophobicContact CB-CD2 4.44Å; F504-L573 HydrophobicContact CD1-CD1 3.65Å; F504-L573 HydrophobicContact CD1-CD2 3.67Å; F504-L573 HydrophobicContact CD1-CG 4.29Å; F504-L573 HydrophobicContact CD2-CD1 4.28Å; F504-L573 HydrophobicContact CE1-CD1 4.31Å; F504-L573 HydrophobicContact CE1-CD2 4.34Å; F504-L573 HydrophobicContact CG-CD1 3.62Å; F504-L573 HydrophobicContact CG-CD2 4.35Å |
| 505 | A | 89.9 | Confident | 85.6 | Confident | 8 Ų | 8 | 25.5 Ų | 25.5 | 7% | 0.066 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L501 R502 D503 C508 Q509 L573 Q576 | L501-A505 PolarHBondContact O-N 2.99Å; R502-A505 CarbonylContact O-C 3.49Å; R502-A505 WeakPolarHBondContact O-CB 3.35Å; R502-A505 PolarHBondContact O-N 3.34Å; R502-A505 VanDerWaalsContact O-N 3.1Å; D503-A505 PolarHBondContact O-N 3.01Å; A505-C508 WeakPolarHBondContact O-CB 3.43Å; A505-C508 PolarHBondContact O-N 3.24Å; A505-Q509 WeakPolarHBondContact O-CG 3.25Å; A505-Q509 PolarHBondContact O-N 2.77Å; A505-L573 HydrophobicContact CB-CD1 4.36Å; A505-Q576 HydrophobicContact CB-CB 4.38Å; A505-Q576 HydrophobicContact CB-CG 4.09Å |
| 506 | T | 91.2 | Very high | 87.1 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 175 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | L437 F441 R502 D503 F504 C508 Q509 A510 | L437-T506 HydrophobicContact CD2-CG2 3.81Å; F441-T506 HydrophobicContact CE1-CG2 4.42Å; F441-T506 HydrophobicContact CZ-CG2 3.82Å; F441-T506 WeakPolarHBondContact CZ-O 3.45Å; R502-T506 PolarHBondContact O-N 2.88Å; R502-T506 PolarHBondContact O-OG1 2.86Å; D503-T506 WeakPolarHBondContact O-CB 3.3Å; D503-T506 PolarHBondContact O-N 2.72Å; F504-T506 VanDerWaalsContact C-N 3.35Å; T506-C508 VanDerWaalsContact C-N 3.33Å; T506-C508 PolarHBondContact O-N 3.47Å; T506-Q509 PolarHBondContact O-N 2.96Å; T506-A510 PolarHBondContact O-N 2.76Å |
| 507 | V | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 111 | M398 V460 H463 W464 D503 F504 Q509 A510 V511 | M398-V507 HydrophobicContact CE-CG2 4.02Å; V460-V507 HydrophobicContact CG1-CG1 4.34Å; H463-V507 HydrophobicContact CB-CG2 3.84Å; W464-V507 HydrophobicContact CB-CG1 4.34Å; W464-V507 HydrophobicContact CE3-CG1 3.81Å; D503-V507 WeakPolarHBondContact O-CG2 3.47Å; D503-V507 PolarHBondContact O-N 3.07Å; F504-V507 PolarHBondContact O-N 3.16Å; V507-Q509 VanDerWaalsContact C-N 3.31Å; V507-Q509 PolarHBondContact O-N 3.11Å; V507-A510 PolarHBondContact O-N 3.34Å; V507-V511 WeakPolarHBondContact O-CG2 3.3Å; V507-V511 PolarHBondContact O-N 2.66Å |
| 508 | C | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.3 | -41.7 | 174.3 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | W464 F504 A505 T506 V511 V512 Q576 A580 | W464-C508 WeakPolarHBondContact CH2-SG 3.31Å; W464-C508 HydrophobicContact CZ3-CB 4.45Å; W464-C508 WeakPolarHBondContact CZ3-SG 3.33Å; F504-C508 PolarHBondContact O-N 3.41Å; F504-C508 PolarHBondContact O-SG 3.45Å; A505-C508 WeakPolarHBondContact O-CB 3.43Å; A505-C508 PolarHBondContact O-N 3.24Å; T506-C508 VanDerWaalsContact C-N 3.33Å; T506-C508 PolarHBondContact O-N 3.47Å; C508-V511 WeakPolarHBondContact O-CB 3.49Å; C508-V511 PolarHBondContact O-N 3.24Å; C508-V512 VanDerWaalsContact O-CG2 3.32Å; C508-V512 WeakPolarHBondContact O-CG2 3.5Å; C508-V512 PolarHBondContact O-N 3.49Å; C508-Q576 HydrophobicContact CB-CB 3.74Å; C508-A580 HydrophobicContact CB-CB 4.27Å |
| 509 | Q | 92.1 | Very high | 88.6 | Confident | 24 Ų | 24 | 25.5 Ų | 25.5 | 11% | 0.112 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 176.5 | -68.7 | -177.9 | 51.6 | 0 | 0 | 112.4 | Q434 F441 A505 T506 V507 V511 V512 R513 Q576 | Q434-Q509 VanDerWaalsContact NE2-OE1 3.1Å; F441-Q509 HydrophobicContact CD2-CB 4.43Å; F441-Q509 HydrophobicContact CE2-CB 3.58Å; F441-Q509 HydrophobicContact CZ-CB 4.21Å; A505-Q509 WeakPolarHBondContact O-CG 3.25Å; A505-Q509 PolarHBondContact O-N 2.77Å; T506-Q509 PolarHBondContact O-N 2.96Å; V507-Q509 VanDerWaalsContact C-N 3.31Å; V507-Q509 PolarHBondContact O-N 3.11Å; Q509-V511 VanDerWaalsContact C-N 3.28Å; Q509-V511 PolarHBondContact O-N 3.45Å; Q509-V512 WeakPolarHBondContact O-CB 3.44Å; Q509-V512 PolarHBondContact O-N 2.9Å; Q509-V512 VanDerWaalsContact O-N 3.14Å; Q509-R513 PolarHBondContact O-N 3.21Å; Q509-Q576 HydrophobicContact CG-CG 4.18Å; Q509-Q576 VanDerWaalsContact CG-OE1 3.26Å |
| 510 | A | 91.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M398 F441 V460 T506 V507 R513 L514 | M398-A510 HydrophobicContact SD-CB 4.41Å; F441-A510 HydrophobicContact CD1-CB 3.92Å; F441-A510 HydrophobicContact CE1-CB 3.58Å; F441-A510 HydrophobicContact CE2-CB 4.47Å; F441-A510 HydrophobicContact CZ-CB 3.87Å; V460-A510 HydrophobicContact CG1-CB 3.82Å; T506-A510 PolarHBondContact O-N 2.76Å; V507-A510 PolarHBondContact O-N 3.34Å; A510-R513 PolarHBondContact O-N 3.48Å; A510-L514 WeakPolarHBondContact O-CG 3.46Å; A510-L514 PolarHBondContact O-N 3.42Å |
| 511 | V | 90.8 | Very high | 88 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 174.5 | 165.5 | 0 | 0 | 0 | 0 | 111.5 | F457 V460 V507 C508 Q509 R513 L514 A515 L538 A580 I584 | F457-V511 HydrophobicContact CE2-CG1 4.37Å; V460-V511 HydrophobicContact CG1-CG2 4.39Å; V507-V511 WeakPolarHBondContact O-CG2 3.3Å; V507-V511 PolarHBondContact O-N 2.66Å; C508-V511 WeakPolarHBondContact O-CB 3.49Å; C508-V511 PolarHBondContact O-N 3.24Å; Q509-V511 VanDerWaalsContact C-N 3.28Å; Q509-V511 PolarHBondContact O-N 3.45Å; V511-R513 VanDerWaalsContact C-N 3.26Å; V511-R513 PolarHBondContact O-N 2.73Å; V511-L514 PolarHBondContact O-N 2.98Å; V511-A515 VanDerWaalsContact O-CB 3.3Å; V511-A515 WeakPolarHBondContact O-CB 3.36Å; V511-A515 PolarHBondContact O-N 2.92Å; V511-L538 HydrophobicContact CG1-CD2 3.62Å; V511-L538 HydrophobicContact CG2-CD2 4.45Å; V511-A580 HydrophobicContact CG1-CB 4.47Å; V511-I584 HydrophobicContact CG1-CD1 3.95Å; V511-I584 HydrophobicContact CG1-CG1 3.98Å |
| 512 | V | 90.2 | Very high | 87.3 | Confident | 35 Ų | 35 | 34.4 Ų | 34.4 | 21% | 0.212 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.1 | -42 | 176.2 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | C508 Q509 P516 L579 A580 | C508-V512 VanDerWaalsContact O-CG2 3.32Å; C508-V512 WeakPolarHBondContact O-CG2 3.5Å; C508-V512 PolarHBondContact O-N 3.49Å; Q509-V512 WeakPolarHBondContact O-CB 3.44Å; Q509-V512 PolarHBondContact O-N 2.9Å; Q509-V512 VanDerWaalsContact O-N 3.14Å; V512-P516 WeakPolarHBondContact O-CD 3.38Å; V512-L579 HydrophobicContact CG2-CB 4.24Å; V512-A580 HydrophobicContact CG2-CB 4.13Å |
| 513 | R | 90.3 | Very high | 86.9 | Confident | 106 Ų | 106 | 32 Ų | 32 | 40% | 0.4 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69.4 | -39 | 178.6 | -175.1 | 63.7 | -173.7 | 145.6 | 3.2 | 112.8 | F441 E442 A445 Q509 A510 V511 P516 | F441-R513 HydrophobicContact CB-CB 4.16Å; F441-R513 HydrophobicContact CB-CG 3.95Å; E442-R513 IonicContact OE1-CZ 3.56Å; E442-R513 IonicContact OE1-NE 3.98Å; E442-R513 PolarHBondContact OE1-NE 3.17Å; E442-R513 IonicContact OE1-NH1 2.85Å; E442-R513 IonicContact OE1-NH2 2.78Å; E442-R513 PolarHBondContact OE1-NH2 3.42Å; E442-R513 IonicContact OE2-CZ 3.05Å; E442-R513 IonicContact OE2-NE 3.51Å; E442-R513 IonicContact OE2-NH2 2.84Å; E442-R513 PolarHBondContact OE2-NH2 3.19Å; A445-R513 HydrophobicContact CB-CG 4.44Å; Q509-R513 PolarHBondContact O-N 3.21Å; A510-R513 PolarHBondContact O-N 3.48Å; V511-R513 VanDerWaalsContact C-N 3.26Å; V511-R513 PolarHBondContact O-N 2.73Å; R513-P516 WeakPolarHBondContact O-CD 3.23Å |
| 514 | L | 90.3 | Very high | 86.4 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -81.2 | -25.2 | -178.1 | -68.3 | 177 | 0 | 0 | 0 | 113.9 | L444 A445 A448 V456 F457 V460 A510 V511 P516 L517 | L444-L514 HydrophobicContact CB-CD2 4.41Å; A445-L514 HydrophobicContact CB-CD2 4.43Å; A448-L514 HydrophobicContact CB-CD2 3.89Å; V456-L514 HydrophobicContact CG1-CD1 4.29Å; F457-L514 HydrophobicContact CD2-CB 4.2Å; V460-L514 HydrophobicContact CB-CD1 4.25Å; V460-L514 HydrophobicContact CG2-CD1 3.75Å; A510-L514 WeakPolarHBondContact O-CG 3.46Å; A510-L514 PolarHBondContact O-N 3.42Å; V511-L514 PolarHBondContact O-N 2.98Å; L514-P516 VanDerWaalsContact C-CD 3.5Å; L514-L517 HydrophobicContact CD2-CD1 4.37Å; L514-L517 WeakPolarHBondContact O-CB 3.34Å; L514-L517 PolarHBondContact O-N 3.31Å |
| 515 | A | 88.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -52.3 | -45.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | V511 L517 M518 I584 L587 | V511-A515 VanDerWaalsContact O-CB 3.3Å; V511-A515 WeakPolarHBondContact O-CB 3.36Å; V511-A515 PolarHBondContact O-N 2.92Å; A515-L517 PolarHBondContact O-N 3.3Å; A515-M518 WeakPolarHBondContact O-CB 3.47Å; A515-M518 PolarHBondContact O-N 2.92Å; A515-I584 HydrophobicContact CB-CD1 3.62Å; A515-I584 HydrophobicContact CB-CG1 4.35Å; A515-L587 HydrophobicContact CB-CD1 4.33Å; A515-L587 WeakPolarHBondContact O-CD1 3.43Å |
| 516 | P | 87.4 | Confident | 85.1 | Confident | 90 Ų | 90 | 42.2 Ų | 42.2 | 58% | 0.584 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -59.2 | -22.1 | 178.8 | -24.2 | 35.2 | 0 | 0 | 0 | 114.7 | V512 R513 L514 M518 | V512-P516 WeakPolarHBondContact O-CD 3.38Å; R513-P516 WeakPolarHBondContact O-CD 3.23Å; L514-P516 VanDerWaalsContact C-CD 3.5Å; P516-M518 VanDerWaalsContact C-N 3.31Å |
| 517 | L | 87.3 | Confident | 84.7 | Confident | 53 Ų | 53 | 44.1 Ų | 44.1 | 28% | 0.277 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -82.9 | -10.2 | 177.2 | -52.9 | -179.4 | 0 | 0 | 0 | 112.7 | A445 A448 N449 A453 L514 A515 D519 | A445-L517 HydrophobicContact CB-CD1 4.08Å; A448-L517 HydrophobicContact CB-CD1 3.83Å; N449-L517 WeakPolarHBondContact OD1-CD2 3.32Å; A453-L517 HydrophobicContact CB-CB 3.99Å; A453-L517 WeakPolarHBondContact CB-O 3.37Å; L514-L517 HydrophobicContact CD2-CD1 4.37Å; L514-L517 WeakPolarHBondContact O-CB 3.34Å; L514-L517 PolarHBondContact O-N 3.31Å; A515-L517 PolarHBondContact O-N 3.3Å; L517-D519 VanDerWaalsContact C-N 3.31Å; L517-D519 PolarHBondContact O-N 3.25Å |
| 518 | M | 84.1 | Confident | 84.2 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | trans | -91.6 | 25.7 | -177.7 | -67.2 | -68.6 | -70.2 | 0 | 0 | 113.5 | A453 F457 A515 P516 S520 M531 L535 L587 | A453-M518 VanDerWaalsContact C-SD 3.59Å; A453-M518 HydrophobicContact CB-CG 4.47Å; A453-M518 HydrophobicContact CB-SD 3.64Å; F457-M518 HydrophobicContact CB-CE 4.12Å; F457-M518 HydrophobicContact CB-CG 4.48Å; F457-M518 HydrophobicContact CB-SD 3.78Å; F457-M518 HydrophobicContact CD1-CE 3.9Å; F457-M518 HydrophobicContact CD2-CE 4.44Å; F457-M518 HydrophobicContact CD2-CG 3.82Å; F457-M518 HydrophobicContact CD2-SD 4.2Å; F457-M518 HydrophobicContact CE1-CE 4.39Å; F457-M518 HydrophobicContact CE2-CG 4.2Å; F457-M518 HydrophobicContact CG-CE 3.9Å; F457-M518 HydrophobicContact CG-CG 4.17Å; F457-M518 HydrophobicContact CG-SD 3.94Å; A515-M518 WeakPolarHBondContact O-CB 3.47Å; A515-M518 PolarHBondContact O-N 2.92Å; P516-M518 VanDerWaalsContact C-N 3.31Å; M518-S520 PolarHBondContact O-N 3.38Å; M518-M531 HydrophobicContact CB-CE 4.07Å; M518-M531 HydrophobicContact CE-CB 3.93Å; M518-M531 HydrophobicContact CE-CE 4.08Å; M518-M531 HydrophobicContact CE-CG 3.77Å; M518-M531 HydrophobicContact SD-CE 3.74Å; M518-M531 HydrophobicContact SD-CG 4.43Å; M518-L535 HydrophobicContact CB-CD1 4.35Å; M518-L535 HydrophobicContact CB-CD2 4.08Å; M518-L535 HydrophobicContact CE-CG 4.43Å; M518-L587 HydrophobicContact CB-CD1 4.22Å | ||
| 519 | D | 82.7 | Confident | 83.9 | Confident | 66 Ų | 66 | 50 Ų | 50 | 35% | 0.353 | 31% | 0.314 | S | S | . | . | trans | -72.9 | 108.5 | 177.6 | -171.6 | -11.1 | 0 | 0 | 0 | 111.6 | L517 S521 T522 L587 | L517-D519 VanDerWaalsContact C-N 3.31Å; L517-D519 PolarHBondContact O-N 3.25Å; D519-S521 PolarHBondContact O-N 3.49Å; D519-S521 VanDerWaalsContact OD1-CB 3.26Å; D519-S521 WeakPolarHBondContact OD1-CB 3.26Å; D519-S521 PolarHBondContact OD1-N 2.98Å; D519-S521 PolarHBondContact OD1-OG 3.46Å; D519-S521 PolarHBondContact OD2-OG 2.88Å; D519-S521 VanDerWaalsContact OD2-OG 3.12Å; D519-T522 PolarHBondContact O-OG1 3.49Å; D519-L587 HydrophobicContact CB-CD2 4.35Å | ||
| 520 | S | 79.4 | Confident | 83.5 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -66.8 | -15.3 | -178.3 | 65.4 | 0 | 0 | 0 | 0 | 113.7 | M518 T522 A523 E532 | M518-S520 PolarHBondContact O-N 3.38Å; S520-T522 VanDerWaalsContact C-N 3.25Å; S520-T522 PolarHBondContact O-N 3.2Å; S520-A523 PolarHBondContact O-N 3.4Å; S520-E532 PolarHBondContact OG-OE1 3.13Å |
| 521 | S | 75.6 | Confident | 83.3 | Confident | 92 Ų | 92 | 53.5 Ų | 53.5 | 64% | 0.643 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -67.9 | -22.7 | -177.2 | 67.6 | 0 | 0 | 0 | 0 | 114.2 | D519 | D519-S521 PolarHBondContact O-N 3.49Å; D519-S521 VanDerWaalsContact OD1-CB 3.26Å; D519-S521 WeakPolarHBondContact OD1-CB 3.26Å; D519-S521 PolarHBondContact OD1-N 2.98Å; D519-S521 PolarHBondContact OD1-OG 3.46Å; D519-S521 PolarHBondContact OD2-OG 2.88Å; D519-S521 VanDerWaalsContact OD2-OG 3.12Å |
| 522 | T | 72.6 | Confident | 83 | Confident | 124 Ų | 124 | 56.1 Ų | 56.1 | 76% | 0.761 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -104.3 | -6.1 | -176.7 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | D519 S520 | D519-T522 PolarHBondContact O-OG1 3.49Å; S520-T522 VanDerWaalsContact C-N 3.25Å; S520-T522 PolarHBondContact O-N 3.2Å |
| 523 | A | 77.4 | Confident | 82.8 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -88.7 | 157.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S520 A528 M531 | S520-A523 PolarHBondContact O-N 3.4Å; A523-A528 HydrophobicContact CB-CB 4.17Å; A523-M531 HydrophobicContact CB-SD 3.9Å |
| 524 | A | 79.9 | Confident | 82.6 | Confident | 62 Ų | 62 | 54.6 Ų | 54.6 | 51% | 0.512 | 35% | 0.345 | S | S | . | . | trans | -64.2 | 147 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G526 V527 A528 | A524-G526 VanDerWaalsContact C-N 3.35Å; A524-G526 PolarHBondContact O-N 3.2Å; A524-G526 VanDerWaalsContact O-N 3.16Å; A524-V527 PolarHBondContact O-N 3.38Å; A524-A528 PolarHBondContact O-N 3.14Å | ||
| 525 | P | 74.7 | Confident | 82.4 | Confident | 109 Ų | 109 | 54.4 Ų | 54.4 | 71% | 0.708 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -55.7 | -41.1 | -167.7 | 17.7 | -31.1 | 0 | 0 | 0 | 114.4 | V527 A528 D529 | P525-V527 PolarHBondContact O-N 3.29Å; P525-A528 PolarHBondContact O-N 2.69Å; P525-D529 PolarHBondContact O-N 2.97Å |
| 526 | G | 77.9 | Confident | 82.3 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.3 | -29.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A524 | A524-G526 VanDerWaalsContact C-N 3.35Å; A524-G526 PolarHBondContact O-N 3.2Å; A524-G526 VanDerWaalsContact O-N 3.16Å |
| 527 | V | 82.3 | Confident | 82.2 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -81.4 | -35.6 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | H454 A524 P525 D529 E530 M531 | H454-V527 HydrophobicContact CB-CG1 4.43Å; H454-V527 WeakPolarHBondContact ND1-CG1 3.47Å; A524-V527 PolarHBondContact O-N 3.38Å; P525-V527 PolarHBondContact O-N 3.29Å; V527-D529 VanDerWaalsContact C-N 3.34Å; V527-D529 PolarHBondContact O-N 3Å; V527-E530 PolarHBondContact O-N 2.92Å; V527-M531 HydrophobicContact CG1-CG 4.25Å; V527-M531 HydrophobicContact CG1-SD 3.82Å; V527-M531 WeakPolarHBondContact O-CB 3.39Å; V527-M531 WeakPolarHBondContact O-CG 3.38Å; V527-M531 PolarHBondContact O-N 3.46Å |
| 528 | A | 82.8 | Confident | 82.1 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A523 A524 P525 E530 M531 E532 | A523-A528 HydrophobicContact CB-CB 4.17Å; A524-A528 PolarHBondContact O-N 3.14Å; P525-A528 PolarHBondContact O-N 2.69Å; A528-E530 VanDerWaalsContact C-N 3.35Å; A528-E530 PolarHBondContact O-N 3.37Å; A528-M531 PolarHBondContact O-N 3.2Å; A528-E532 WeakPolarHBondContact O-CB 3.37Å; A528-E532 WeakPolarHBondContact O-CG 3.45Å; A528-E532 PolarHBondContact O-N 3.17Å |
| 529 | D | 83.3 | Confident | 82.2 | Confident | 110 Ų | 110 | 58 Ų | 58 | 59% | 0.588 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | 176.6 | -70.1 | -20.6 | 0 | 0 | 0 | 112.1 | P525 V527 C533 | P525-D529 PolarHBondContact O-N 2.97Å; V527-D529 VanDerWaalsContact C-N 3.34Å; V527-D529 PolarHBondContact O-N 3Å; D529-C533 WeakPolarHBondContact O-CB 3.36Å; D529-C533 PolarHBondContact O-N 3.38Å |
| 530 | E | 85.1 | Confident | 82.3 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 43% | 0.425 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 176.6 | -171.6 | 176.7 | 179.8 | 0 | 0 | 111.7 | H454 V527 A528 C533 Q534 | H454-E530 IonicContact CD2-OE2 3.45Å; V527-E530 PolarHBondContact O-N 2.92Å; A528-E530 VanDerWaalsContact C-N 3.35Å; A528-E530 PolarHBondContact O-N 3.37Å; E530-C533 WeakPolarHBondContact O-CB 3.28Å; E530-C533 PolarHBondContact O-N 3.21Å; E530-Q534 WeakPolarHBondContact O-CG 3.45Å; E530-Q534 PolarHBondContact O-N 3.46Å |
| 531 | M | 86.3 | Confident | 82.6 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 4% | 0.044 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.8 | -69.1 | 170.3 | 79.7 | 0 | 0 | 111.5 | H454 M518 A523 V527 A528 C533 Q534 L535 | H454-M531 HydrophobicContact CB-CG 3.7Å; M518-M531 HydrophobicContact CB-CE 4.07Å; M518-M531 HydrophobicContact CE-CB 3.93Å; M518-M531 HydrophobicContact CE-CE 4.08Å; M518-M531 HydrophobicContact CE-CG 3.77Å; M518-M531 HydrophobicContact SD-CE 3.74Å; M518-M531 HydrophobicContact SD-CG 4.43Å; A523-M531 HydrophobicContact CB-SD 3.9Å; V527-M531 HydrophobicContact CG1-CG 4.25Å; V527-M531 HydrophobicContact CG1-SD 3.82Å; V527-M531 WeakPolarHBondContact O-CB 3.39Å; V527-M531 WeakPolarHBondContact O-CG 3.38Å; V527-M531 PolarHBondContact O-N 3.46Å; A528-M531 PolarHBondContact O-N 3.2Å; M531-C533 VanDerWaalsContact C-N 3.33Å; M531-C533 PolarHBondContact O-N 3.1Å; M531-Q534 PolarHBondContact O-N 3.23Å; M531-L535 WeakPolarHBondContact O-CB 3.31Å; M531-L535 WeakPolarHBondContact O-CG 3.31Å; M531-L535 PolarHBondContact O-N 3.44Å |
| 532 | E | 85.1 | Confident | 83.2 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 177.1 | -75.5 | -170.2 | -175.1 | 0 | 0 | 111.5 | S520 A528 L535 Q536 K589 | S520-E532 PolarHBondContact OG-OE1 3.13Å; A528-E532 WeakPolarHBondContact O-CB 3.37Å; A528-E532 WeakPolarHBondContact O-CG 3.45Å; A528-E532 PolarHBondContact O-N 3.17Å; E532-L535 PolarHBondContact O-N 2.99Å; E532-Q536 WeakPolarHBondContact O-CB 3.25Å; E532-Q536 PolarHBondContact O-N 3.31Å; E532-K589 WeakPolarHBondContact OE1-CE 2.96Å; E532-K589 IonicContact OE1-NZ 2.77Å; E532-K589 PolarHBondContact OE1-NZ 3.35Å; E532-K589 IonicContact OE2-NZ 2.96Å; E532-K589 PolarHBondContact OE2-NZ 2.88Å |
| 533 | C | 85.8 | Confident | 83.8 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 51% | 0.514 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 175.8 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | D529 E530 M531 L535 Q536 M537 | D529-C533 WeakPolarHBondContact O-CB 3.36Å; D529-C533 PolarHBondContact O-N 3.38Å; E530-C533 WeakPolarHBondContact O-CB 3.28Å; E530-C533 PolarHBondContact O-N 3.21Å; M531-C533 VanDerWaalsContact C-N 3.33Å; M531-C533 PolarHBondContact O-N 3.1Å; C533-L535 PolarHBondContact O-N 2.84Å; C533-Q536 PolarHBondContact O-N 2.95Å; C533-M537 WeakPolarHBondContact O-CG 3.5Å; C533-M537 PolarHBondContact O-N 3.3Å |
| 534 | Q | 86.1 | Confident | 84.2 | Confident | 33 Ų | 33 | 51 Ų | 51 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 178.4 | -71.5 | 177.3 | -0.5 | 0 | 0 | 112.1 | H454 F457 E530 M531 Q536 M537 L538 | H454-Q534 PolarHBondContact O-NE2 3.27Å; H454-Q534 PolarHBondContact O-OE1 3.43Å; F457-Q534 HydrophobicContact CD1-CB 4.39Å; F457-Q534 HydrophobicContact CE1-CB 4.3Å; E530-Q534 WeakPolarHBondContact O-CG 3.45Å; E530-Q534 PolarHBondContact O-N 3.46Å; M531-Q534 PolarHBondContact O-N 3.23Å; Q534-Q536 VanDerWaalsContact C-N 3.35Å; Q534-Q536 PolarHBondContact O-N 3.01Å; Q534-M537 PolarHBondContact O-N 3.43Å; Q534-L538 PolarHBondContact O-N 3.36Å |
| 535 | L | 86.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -38 | 177.9 | -70.2 | 170.1 | 0 | 0 | 0 | 112 | F457 M518 M531 E532 C533 S539 I584 L587 T588 | F457-L535 HydrophobicContact CZ-CD2 4.28Å; M518-L535 HydrophobicContact CB-CD1 4.35Å; M518-L535 HydrophobicContact CB-CD2 4.08Å; M518-L535 HydrophobicContact CE-CG 4.43Å; M531-L535 WeakPolarHBondContact O-CB 3.31Å; M531-L535 WeakPolarHBondContact O-CG 3.31Å; M531-L535 PolarHBondContact O-N 3.44Å; E532-L535 PolarHBondContact O-N 2.99Å; C533-L535 PolarHBondContact O-N 2.84Å; L535-S539 WeakPolarHBondContact O-CB 3.4Å; L535-S539 PolarHBondContact O-N 2.8Å; L535-I584 HydrophobicContact CD2-CD1 3.72Å; L535-I584 HydrophobicContact CD2-CG2 4.18Å; L535-L587 HydrophobicContact CD1-CB 3.81Å; L535-L587 HydrophobicContact CD2-CD1 4.4Å; L535-T588 HydrophobicContact CB-CG2 3.72Å |
| 536 | Q | 85.6 | Confident | 85 | Confident | 110 Ų | 110 | 43 Ų | 43 | 51% | 0.514 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.1 | -47 | 175.8 | -174.7 | 170.9 | -6.3 | 0 | 0 | 111.6 | E532 C533 Q534 L538 S539 D540 | E532-Q536 WeakPolarHBondContact O-CB 3.25Å; E532-Q536 PolarHBondContact O-N 3.31Å; C533-Q536 PolarHBondContact O-N 2.95Å; Q534-Q536 VanDerWaalsContact C-N 3.35Å; Q534-Q536 PolarHBondContact O-N 3.01Å; Q536-L538 VanDerWaalsContact C-N 3.31Å; Q536-L538 PolarHBondContact O-N 3.25Å; Q536-S539 WeakPolarHBondContact O-CB 3.43Å; Q536-S539 PolarHBondContact O-N 3.03Å; Q536-D540 PolarHBondContact O-N 3.21Å |
| 537 | M | 84.8 | Confident | 85.3 | Confident | 104 Ų | 104 | 43.9 Ų | 43.9 | 51% | 0.512 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.1 | -43.1 | 176.6 | -71.7 | -62.7 | -60.9 | 0 | 0 | 112.2 | C533 Q534 S541 | C533-M537 WeakPolarHBondContact O-CG 3.5Å; C533-M537 PolarHBondContact O-N 3.3Å; Q534-M537 PolarHBondContact O-N 3.43Å; M537-S541 WeakPolarHBondContact O-CB 3.45Å; M537-S541 PolarHBondContact O-N 3.42Å; M537-S541 VanDerWaalsContact O-N 3.08Å; M537-S541 PolarHBondContact O-OG 2.96Å; M537-S541 VanDerWaalsContact O-OG 3.13Å |
| 538 | L | 86.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.6 | -41.1 | 176.7 | 177.7 | 66.5 | 0 | 0 | 0 | 112 | F457 Y461 W464 V511 Q534 Q536 D540 S541 L542 I584 | F457-L538 HydrophobicContact CE1-CD2 4.32Å; F457-L538 HydrophobicContact CE2-CD2 4.38Å; F457-L538 HydrophobicContact CZ-CD2 3.53Å; Y461-L538 HydrophobicContact CD2-CB 4.49Å; Y461-L538 HydrophobicContact CD2-CD1 3.91Å; Y461-L538 HydrophobicContact CE2-CB 4.15Å; Y461-L538 HydrophobicContact CE2-CD1 3.7Å; W464-L538 HydrophobicContact CD2-CD1 3.85Å; W464-L538 HydrophobicContact CE3-CD1 3.81Å; W464-L538 HydrophobicContact CH2-CD1 4.2Å; W464-L538 HydrophobicContact CZ2-CD1 4.13Å; W464-L538 HydrophobicContact CZ3-CD1 4Å; V511-L538 HydrophobicContact CG1-CD2 3.62Å; V511-L538 HydrophobicContact CG2-CD2 4.45Å; Q534-L538 PolarHBondContact O-N 3.36Å; Q536-L538 VanDerWaalsContact C-N 3.31Å; Q536-L538 PolarHBondContact O-N 3.25Å; L538-D540 VanDerWaalsContact C-N 3.32Å; L538-D540 PolarHBondContact O-N 3.33Å; L538-S541 PolarHBondContact O-N 3.29Å; L538-L542 HydrophobicContact CD1-CD1 4.21Å; L538-L542 HydrophobicContact CD1-CG 4.08Å; L538-L542 HydrophobicContact CD2-CD1 4.29Å; L538-L542 HydrophobicContact CG-CD1 3.82Å; L538-L542 HydrophobicContact CG-CG 4.19Å; L538-L542 WeakPolarHBondContact O-CB 3.4Å; L538-L542 WeakPolarHBondContact O-CG 3.4Å; L538-L542 PolarHBondContact O-N 2.69Å; L538-I584 HydrophobicContact CD2-CD1 3.76Å; L538-I584 HydrophobicContact CD2-CG1 3.8Å |
| 539 | S | 85.8 | Confident | 85.1 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -44.3 | 177.5 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | L535 Q536 L543 F585 | L535-S539 WeakPolarHBondContact O-CB 3.4Å; L535-S539 PolarHBondContact O-N 2.8Å; Q536-S539 WeakPolarHBondContact O-CB 3.43Å; Q536-S539 PolarHBondContact O-N 3.03Å; S539-L543 WeakPolarHBondContact O-CB 3.1Å; S539-L543 PolarHBondContact O-N 3.32Å; S539-F585 WeakPolarHBondContact OG-CE1 3.41Å |
| 540 | D | 84.3 | Confident | 84.9 | Confident | 74 Ų | 74 | 38 Ų | 38 | 40% | 0.396 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.6 | -42.8 | 177.8 | -70.3 | -20.9 | 0 | 0 | 0 | 111.2 | Q536 L538 L543 Q544 | Q536-D540 PolarHBondContact O-N 3.21Å; L538-D540 VanDerWaalsContact C-N 3.32Å; L538-D540 PolarHBondContact O-N 3.33Å; D540-L543 PolarHBondContact O-N 3.2Å; D540-Q544 PolarHBondContact O-N 3.48Å |
| 541 | S | 86.1 | Confident | 84.2 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -47 | 174.9 | -72 | 0 | 0 | 0 | 0 | 112.6 | Y461 Q468 M537 L538 L543 Q544 T545 | Y461-S541 PolarHBondContact OH-OG 3.09Å; Q468-S541 PolarHBondContact NE2-O 2.92Å; Q468-S541 PolarHBondContact NE2-OG 3.15Å; M537-S541 WeakPolarHBondContact O-CB 3.45Å; M537-S541 PolarHBondContact O-N 3.42Å; M537-S541 VanDerWaalsContact O-N 3.08Å; M537-S541 PolarHBondContact O-OG 2.96Å; M537-S541 VanDerWaalsContact O-OG 3.13Å; L538-S541 PolarHBondContact O-N 3.29Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-L543 PolarHBondContact O-N 3.46Å; S541-Q544 PolarHBondContact O-N 2.86Å; S541-T545 PolarHBondContact O-N 2.94Å; S541-T545 PolarHBondContact O-OG1 3.1Å; S541-T545 VanDerWaalsContact O-OG1 3.13Å |
| 542 | L | 87.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 176.3 | -81.5 | 168.2 | 0 | 0 | 0 | 111.6 | W464 L538 T545 L546 V577 A580 M581 I584 | W464-L542 HydrophobicContact CH2-CD2 3.2Å; W464-L542 HydrophobicContact CH2-CG 3.91Å; W464-L542 HydrophobicContact CZ2-CD2 3.61Å; W464-L542 HydrophobicContact CZ2-CG 3.96Å; W464-L542 HydrophobicContact CZ3-CD2 4.19Å; L538-L542 HydrophobicContact CD1-CD1 4.21Å; L538-L542 HydrophobicContact CD1-CG 4.08Å; L538-L542 HydrophobicContact CD2-CD1 4.29Å; L538-L542 HydrophobicContact CG-CD1 3.82Å; L538-L542 HydrophobicContact CG-CG 4.19Å; L538-L542 WeakPolarHBondContact O-CB 3.4Å; L538-L542 WeakPolarHBondContact O-CG 3.4Å; L538-L542 PolarHBondContact O-N 2.69Å; L542-T545 PolarHBondContact O-N 3.16Å; L542-L546 WeakPolarHBondContact O-CB 2.89Å; L542-L546 PolarHBondContact O-N 3.22Å; L542-V577 HydrophobicContact CD2-CG1 3.99Å; L542-A580 HydrophobicContact CD1-CB 4.24Å; L542-A580 HydrophobicContact CD2-CB 3.77Å; L542-M581 HydrophobicContact CB-CG 3.78Å; L542-M581 HydrophobicContact CB-SD 4.39Å; L542-M581 HydrophobicContact CD1-CG 4.01Å; L542-M581 HydrophobicContact CD2-CG 4.2Å; L542-M581 HydrophobicContact CG-CG 4.25Å; L542-I584 HydrophobicContact CD1-CG1 4.42Å |
| 543 | L | 85.6 | Confident | 82 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 179.1 | -176.2 | 67.1 | 0 | 0 | 0 | 111.8 | S539 D540 S541 L546 Q547 M581 L596 | S539-L543 WeakPolarHBondContact O-CB 3.1Å; S539-L543 PolarHBondContact O-N 3.32Å; D540-L543 PolarHBondContact O-N 3.2Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-L543 PolarHBondContact O-N 3.46Å; L543-L546 PolarHBondContact O-N 3.32Å; L543-Q547 VanDerWaalsContact O-CG 3.32Å; L543-Q547 WeakPolarHBondContact O-CG 3.34Å; L543-Q547 PolarHBondContact O-N 2.84Å; L543-M581 HydrophobicContact CD1-CE 4.1Å; L543-L596 HydrophobicContact CD2-CD2 3.56Å |
| 544 | Q | 84.8 | Confident | 80.7 | Confident | 90 Ų | 90 | 38.9 Ų | 38.9 | 42% | 0.421 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.5 | -169.9 | -177.7 | 19.6 | 0 | 0 | 111.1 | L472 D540 S541 L546 Q547 L548 | L472-Q544 HydrophobicContact CD2-CG 4.17Å; D540-Q544 PolarHBondContact O-N 3.48Å; S541-Q544 PolarHBondContact O-N 2.86Å; Q544-L546 VanDerWaalsContact C-N 3.34Å; Q544-L546 PolarHBondContact O-N 2.94Å; Q544-Q547 PolarHBondContact O-N 3Å; Q544-L548 PolarHBondContact O-N 3.26Å |
| 545 | T | 86.6 | Confident | 79.4 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 175.6 | -59 | 0 | 0 | 0 | 0 | 111.7 | F504 S541 L542 Q547 L548 L549 V577 | F504-T545 HydrophobicContact CE1-CG2 3.71Å; F504-T545 HydrophobicContact CZ-CG2 3.99Å; S541-T545 PolarHBondContact O-N 2.94Å; S541-T545 PolarHBondContact O-OG1 3.1Å; S541-T545 VanDerWaalsContact O-OG1 3.13Å; L542-T545 PolarHBondContact O-N 3.16Å; T545-Q547 PolarHBondContact O-N 2.87Å; T545-L548 WeakPolarHBondContact O-CB 3.25Å; T545-L548 PolarHBondContact O-N 3.38Å; T545-L549 HydrophobicContact CG2-CD1 4.07Å; T545-L549 HydrophobicContact CG2-CG 4.44Å; T545-L549 VanDerWaalsContact O-CG 3.31Å; T545-L549 WeakPolarHBondContact O-CG 3.12Å; T545-L549 PolarHBondContact O-N 2.93Å; T545-V577 HydrophobicContact CG2-CG2 4Å |
| 546 | L | 86.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.3 | -176.5 | 73.5 | 0 | 0 | 0 | 111.6 | L542 L543 Q544 L548 L549 A550 Y574 V577 L578 M581 L600 I603 | L542-L546 WeakPolarHBondContact O-CB 2.89Å; L542-L546 PolarHBondContact O-N 3.22Å; L543-L546 PolarHBondContact O-N 3.32Å; Q544-L546 VanDerWaalsContact C-N 3.34Å; Q544-L546 PolarHBondContact O-N 2.94Å; L546-L548 VanDerWaalsContact C-N 3.31Å; L546-L548 PolarHBondContact O-N 2.72Å; L546-L549 PolarHBondContact O-N 3.22Å; L546-A550 VanDerWaalsContact O-CB 3.3Å; L546-A550 WeakPolarHBondContact O-CB 3.43Å; L546-A550 PolarHBondContact O-N 2.65Å; L546-Y574 HydrophobicContact CD1-CD2 4.03Å; L546-Y574 HydrophobicContact CD1-CE2 3.46Å; L546-Y574 VanDerWaalsContact CD1-CE2 3.46Å; L546-V577 HydrophobicContact CB-CG1 4.25Å; L546-V577 HydrophobicContact CD1-CG1 4.36Å; L546-L578 HydrophobicContact CD1-CD2 3.6Å; L546-L578 HydrophobicContact CD1-CG 4.07Å; L546-M581 HydrophobicContact CB-SD 4.04Å; L546-M581 HydrophobicContact CD1-SD 4.33Å; L546-M581 HydrophobicContact CD2-CE 3.73Å; L546-M581 HydrophobicContact CD2-SD 3.7Å; L546-M581 HydrophobicContact CG-SD 4.23Å; L546-L600 HydrophobicContact CD2-CD1 3.64Å; L546-I603 HydrophobicContact CD1-CG2 4.48Å; L546-I603 HydrophobicContact CD2-CD1 3.87Å; L546-I603 HydrophobicContact CD2-CG2 4.22Å; L546-I603 HydrophobicContact CG-CD1 4.08Å; L546-I603 HydrophobicContact CG-CG2 4.23Å |
| 547 | Q | 82.9 | Confident | 76 | Confident | 73 Ų | 73 | 42.2 Ų | 42.2 | 34% | 0.341 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 177.5 | -74.8 | 171.2 | 13 | 0 | 0 | 111.7 | L543 Q544 T545 A550 S551 I603 | L543-Q547 VanDerWaalsContact O-CG 3.32Å; L543-Q547 WeakPolarHBondContact O-CG 3.34Å; L543-Q547 PolarHBondContact O-N 2.84Å; Q544-Q547 PolarHBondContact O-N 3Å; T545-Q547 PolarHBondContact O-N 2.87Å; Q547-A550 PolarHBondContact O-N 3.08Å; Q547-S551 PolarHBondContact O-N 3.28Å; Q547-S551 VanDerWaalsContact O-N 3.16Å; Q547-I603 HydrophobicContact CG-CD1 4Å |
| 548 | L | 80.2 | Confident | 74.2 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -52.1 | 174.6 | 171.4 | 71.9 | 0 | 0 | 0 | 111.1 | L471 E475 Q544 T545 L546 A550 S551 | L471-L548 HydrophobicContact CB-CD2 3.64Å; L471-L548 HydrophobicContact CD1-CD2 4.43Å; L471-L548 HydrophobicContact CG-CD2 4.46Å; E475-L548 HydrophobicContact CB-CD1 3.53Å; E475-L548 HydrophobicContact CG-CD1 3.6Å; E475-L548 WeakPolarHBondContact OE1-CD1 3.46Å; E475-L548 WeakPolarHBondContact OE2-CD1 3.22Å; Q544-L548 PolarHBondContact O-N 3.26Å; T545-L548 WeakPolarHBondContact O-CB 3.25Å; T545-L548 PolarHBondContact O-N 3.38Å; L546-L548 VanDerWaalsContact C-N 3.31Å; L546-L548 PolarHBondContact O-N 2.72Å; L548-A550 VanDerWaalsContact C-N 3.35Å; L548-A550 PolarHBondContact O-N 3.34Å; L548-S551 WeakPolarHBondContact O-CB 3.34Å; L548-S551 PolarHBondContact O-N 2.91Å; L548-S551 PolarHBondContact O-OG 3.31Å |
| 549 | L | 81.7 | Confident | 72.2 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | -178 | -66.3 | 173.3 | 0 | 0 | 0 | 111.7 | T545 L546 S551 N552 L570 L573 Y574 V577 | T545-L549 HydrophobicContact CG2-CD1 4.07Å; T545-L549 HydrophobicContact CG2-CG 4.44Å; T545-L549 VanDerWaalsContact O-CG 3.31Å; T545-L549 WeakPolarHBondContact O-CG 3.12Å; T545-L549 PolarHBondContact O-N 2.93Å; L546-L549 PolarHBondContact O-N 3.22Å; L549-S551 VanDerWaalsContact C-N 3.27Å; L549-S551 PolarHBondContact O-N 3.34Å; L549-N552 PolarHBondContact O-N 3.3Å; L549-L570 HydrophobicContact CD2-CD1 3.49Å; L549-L570 VanDerWaalsContact CD2-CD1 3.49Å; L549-L570 HydrophobicContact CD2-CG 4.26Å; L549-L573 HydrophobicContact CD1-CG 4.31Å; L549-L573 HydrophobicContact CD2-CD2 4.48Å; L549-Y574 HydrophobicContact CB-CD1 4.27Å; L549-Y574 HydrophobicContact CB-CD2 4.28Å; L549-Y574 HydrophobicContact CB-CE1 4.49Å; L549-Y574 HydrophobicContact CB-CG 4.15Å; L549-Y574 HydrophobicContact CD1-CD2 4.26Å; L549-Y574 HydrophobicContact CD1-CG 4.23Å; L549-V577 HydrophobicContact CD1-CG2 4.25Å |
| 550 | A | 77.4 | Confident | 70.4 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 26% | 0.256 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.4 | -23.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L546 Q547 L548 N552 I603 | L546-A550 VanDerWaalsContact O-CB 3.3Å; L546-A550 WeakPolarHBondContact O-CB 3.43Å; L546-A550 PolarHBondContact O-N 2.65Å; Q547-A550 PolarHBondContact O-N 3.08Å; L548-A550 VanDerWaalsContact C-N 3.35Å; L548-A550 PolarHBondContact O-N 3.34Å; A550-N552 PolarHBondContact O-N 3.42Å; A550-I603 HydrophobicContact CB-CD1 4.38Å; A550-I603 HydrophobicContact CB-CG1 4.12Å; A550-I603 HydrophobicContact CB-CG2 3.68Å |
| 551 | S | 72.3 | Confident | 68.4 | Low | 46 Ų | 46 | 56.1 Ų | 56.1 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.3 | -178.7 | 77.6 | 0 | 0 | 0 | 0 | 114.1 | Q547 L548 L549 R553 | Q547-S551 PolarHBondContact O-N 3.28Å; Q547-S551 VanDerWaalsContact O-N 3.16Å; L548-S551 WeakPolarHBondContact O-CB 3.34Å; L548-S551 PolarHBondContact O-N 2.91Å; L548-S551 PolarHBondContact O-OG 3.31Å; L549-S551 VanDerWaalsContact C-N 3.27Å; L549-S551 PolarHBondContact O-N 3.34Å; S551-R553 WeakPolarHBondContact O-CG 3.43Å; S551-R553 PolarHBondContact O-N 3.11Å |
| 552 | N | 63.6 | Low | 67 | Low | 57 Ų | 57 | 61.2 Ų | 61.2 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | trans | 53.7 | 20.5 | 179.4 | -121.2 | 40.5 | 0 | 0 | 0 | 115.1 | L549 A550 Y555 | L549-N552 PolarHBondContact O-N 3.3Å; A550-N552 PolarHBondContact O-N 3.42Å; N552-Y555 VanDerWaalsContact C-CD2 3.46Å; N552-Y555 HydrophobicContact CB-CD2 4.06Å; N552-Y555 HydrophobicContact CB-CE2 4.09Å; N552-Y555 WeakPolarHBondContact O-CD2 3.48Å; N552-Y555 WeakPolarHBondContact OD1-CE2 3.43Å; N552-Y555 PolarHBondContact OD1-OH 2.94Å | ||
| 553 | R | 61 | Low | 65.8 | Low | 139 Ų | 139 | 65.7 Ų | 65.7 | 53% | 0.525 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -81 | -19.7 | -175.9 | -65.6 | -170.6 | 179.6 | -169.4 | 2.9 | 114.6 | D479 S551 Y555 S556 | D479-R553 IonicContact OD1-NH1 3.82Å; D479-R553 PolarHBondContact OD1-NH1 3.37Å; S551-R553 WeakPolarHBondContact O-CG 3.43Å; S551-R553 PolarHBondContact O-N 3.11Å; R553-Y555 PolarHBondContact O-N 3.2Å; R553-S556 PolarHBondContact O-OG 3.01Å |
| 554 | L | 58.4 | Low | 64.9 | Low | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -67.2 | -14.7 | 179.7 | -67 | 165.9 | 0 | 0 | 0 | 113.4 | L474 L478 K493 L570 | L474-L554 HydrophobicContact CB-CD2 4.35Å; L478-L554 HydrophobicContact CD1-CD2 4Å; K493-L554 PolarHBondContact NZ-O 2.85Å; K493-L554 VanDerWaalsContact NZ-O 3.12Å; L554-L570 HydrophobicContact CD1-CD1 4.23Å |
| 555 | Y | 59.1 | Low | 64.2 | Low | 84 Ų | 84 | 67.9 Ų | 67.9 | 33% | 0.329 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -77.7 | -22.2 | -172.7 | -68.8 | -105.4 | 0 | 0 | 0 | 114.3 | N552 R553 G557 Q567 L570 | N552-Y555 VanDerWaalsContact C-CD2 3.46Å; N552-Y555 HydrophobicContact CB-CD2 4.06Å; N552-Y555 HydrophobicContact CB-CE2 4.09Å; N552-Y555 WeakPolarHBondContact O-CD2 3.48Å; N552-Y555 WeakPolarHBondContact OD1-CE2 3.43Å; N552-Y555 PolarHBondContact OD1-OH 2.94Å; R553-Y555 PolarHBondContact O-N 3.2Å; Y555-G557 PolarHBondContact O-N 3.07Å; Y555-G557 VanDerWaalsContact O-N 3.15Å; Y555-Q567 PolarHBondContact OH-NE2 3.22Å; Y555-L570 HydrophobicContact CE2-CD2 3.96Å |
| 556 | S | 50.9 | Low | 63.7 | Low | 89 Ų | 89 | 70 Ų | 70 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 13.5 | -160.7 | 67.8 | 0 | 0 | 0 | 0 | 117 | R553 | R553-S556 PolarHBondContact O-OG 3.01Š|
| 557 | G | 50.3 | Low | 63.3 | Low | 41 Ų | 41 | 72.2 Ų | 72.2 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.5 | 19.4 | -165.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | Y555 | Y555-G557 PolarHBondContact O-N 3.07Å; Y555-G557 VanDerWaalsContact O-N 3.15Å |
| 558 | G | 46.4 | Very low | 63.1 | Low | 38 Ų | 38 | 72.2 Ų | 72.2 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | trans | -113.4 | 157.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | K563 | G558-K563 VanDerWaalsContact C-CE 3.44Å; G558-K563 WeakPolarHBondContact O-CE 3.5Å; G558-K563 PolarHBondContact O-NZ 3.23Å | ||
| 559 | S | 45 | Very low | 63.2 | Low | 93 Ų | 93 | 72.6 Ų | 72.6 | 65% | 0.65 | 41% | 0.411 | S | S | * | . | trans | -68.4 | 152.4 | 167.6 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | M561 K563 | S559-M561 PolarHBondContact O-N 3.29Å; S559-K563 WeakPolarHBondContact O-CE 3.4Å; S559-K563 WeakPolarHBondContact O-CG 3.48Å | ||
| 560 | E | 47.5 | Very low | 63.3 | Low | 171 Ų | 171 | 72.4 Ų | 72.4 | 80% | 0.799 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -66.8 | -24.9 | -164.9 | -68.1 | -166.9 | 152.2 | 0 | 0 | 117.1 | ||
| 561 | M | 42.7 | Very low | 63.5 | Low | 173 Ų | 173 | 72 Ų | 72 | 85% | 0.852 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -91 | -29.6 | -170.6 | -140.4 | 160.7 | 76.4 | 0 | 0 | 114.5 | S559 K563 | S559-M561 PolarHBondContact O-N 3.29Å; M561-K563 VanDerWaalsContact C-N 3.3Å; M561-K563 PolarHBondContact O-N 2.86Å |
| 562 | D | 55.4 | Low | 64.2 | Low | 121 Ų | 121 | 72.4 Ų | 72.4 | 65% | 0.647 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -84.1 | -2 | 175.2 | -64 | -36.2 | 0 | 0 | 0 | 113.1 | F566 | D562-F566 VanDerWaalsContact O-CB 3.25Å; D562-F566 WeakPolarHBondContact O-CB 3.46Å |
| 563 | K | 63 | Low | 65.4 | Low | 93 Ų | 93 | 69.7 Ų | 69.7 | 40% | 0.404 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.3 | -38 | -176.7 | -80.4 | 174.2 | -167.1 | 172.6 | 0 | 113.1 | G558 S559 M561 Q567 | G558-K563 VanDerWaalsContact C-CE 3.44Å; G558-K563 WeakPolarHBondContact O-CE 3.5Å; G558-K563 PolarHBondContact O-NZ 3.23Å; S559-K563 WeakPolarHBondContact O-CE 3.4Å; S559-K563 WeakPolarHBondContact O-CG 3.48Å; M561-K563 VanDerWaalsContact C-N 3.3Å; M561-K563 PolarHBondContact O-N 2.86Å; K563-Q567 WeakPolarHBondContact O-CB 3.24Å; K563-Q567 PolarHBondContact O-N 3.42Å |
| 564 | A | 65.9 | Low | 66.7 | Low | 68 Ų | 68 | 63.9 Ų | 63.9 | 56% | 0.562 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -72 | -46.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q567 T568 | A564-Q567 WeakPolarHBondContact O-CB 3.26Å; A564-Q567 PolarHBondContact O-N 3.4Å; A564-T568 PolarHBondContact O-N 3.11Å; A564-T568 PolarHBondContact O-OG1 2.99Å; A564-T568 VanDerWaalsContact O-OG1 3.1Å |
| 565 | T | 71.6 | Confident | 68.1 | Low | 85 Ų | 85 | 63.6 Ų | 63.6 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 177.2 | 47.4 | 0 | 0 | 0 | 0 | 111.6 | Q567 T568 D569 | T565-Q567 VanDerWaalsContact C-N 3.27Å; T565-Q567 PolarHBondContact O-N 3.39Å; T565-T568 PolarHBondContact O-N 2.92Å; T565-D569 PolarHBondContact O-N 3.29Å |
| 566 | F | 75.5 | Confident | 69.6 | Low | 47 Ų | 47 | 61.5 Ų | 61.5 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 173.4 | 177.6 | -98.3 | 0 | 0 | 0 | 112.2 | V497 L501 D562 D569 L570 | V497-F566 HydrophobicContact CB-CE2 4.45Å; V497-F566 HydrophobicContact CG1-CD2 4.16Å; V497-F566 HydrophobicContact CG1-CE2 3.56Å; L501-F566 HydrophobicContact CD1-CD2 3.88Å; L501-F566 HydrophobicContact CD1-CE2 3.58Å; L501-F566 HydrophobicContact CD1-CZ 4.34Å; D562-F566 VanDerWaalsContact O-CB 3.25Å; D562-F566 WeakPolarHBondContact O-CB 3.46Å; F566-D569 PolarHBondContact O-N 3.1Å; F566-L570 HydrophobicContact CE1-CD2 4.27Å; F566-L570 VanDerWaalsContact O-CB 3.29Å; F566-L570 WeakPolarHBondContact O-CB 3.41Å; F566-L570 PolarHBondContact O-N 3.22Å |
| 567 | Q | 78.1 | Confident | 71.6 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65 | -44.5 | 177.4 | -174.4 | 56.3 | 40.6 | 0 | 0 | 111.6 | Y555 K563 A564 T565 L570 D571 | Y555-Q567 PolarHBondContact OH-NE2 3.22Å; K563-Q567 WeakPolarHBondContact O-CB 3.24Å; K563-Q567 PolarHBondContact O-N 3.42Å; A564-Q567 WeakPolarHBondContact O-CB 3.26Å; A564-Q567 PolarHBondContact O-N 3.4Å; T565-Q567 VanDerWaalsContact C-N 3.27Å; T565-Q567 PolarHBondContact O-N 3.39Å; Q567-L570 PolarHBondContact O-N 3.35Å; Q567-D571 PolarHBondContact NE2-OD1 3.48Å; Q567-D571 PolarHBondContact NE2-OD2 3Å; Q567-D571 WeakPolarHBondContact O-CB 3.47Å; Q567-D571 VanDerWaalsContact O-CG 3.25Å; Q567-D571 PolarHBondContact O-N 3.05Å |
| 568 | T | 79.8 | Confident | 73.5 | Confident | 74 Ų | 74 | 55.3 Ų | 55.3 | 45% | 0.454 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | A564 T565 L570 D571 N572 | A564-T568 PolarHBondContact O-N 3.11Å; A564-T568 PolarHBondContact O-OG1 2.99Å; A564-T568 VanDerWaalsContact O-OG1 3.1Å; T565-T568 PolarHBondContact O-N 2.92Å; T568-L570 VanDerWaalsContact C-N 3.33Å; T568-L570 PolarHBondContact O-N 2.97Å; T568-D571 PolarHBondContact O-N 3.29Å; T568-N572 WeakPolarHBondContact O-CB 3.33Å; T568-N572 VanDerWaalsContact O-CG 3.22Å; T568-N572 PolarHBondContact O-N 3.15Å; T568-N572 PolarHBondContact O-ND2 2.67Å |
| 569 | D | 81.6 | Confident | 75.5 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 178.9 | -68.6 | -31.5 | 0 | 0 | 0 | 111.7 | L501 R502 T565 F566 L573 | L501-D569 HydrophobicContact CB-CB 4.18Å; L501-D569 HydrophobicContact CD1-CB 4.12Å; R502-D569 IonicContact CZ-OD1 3.5Å; R502-D569 IonicContact CZ-OD2 2.67Å; R502-D569 IonicContact NE-OD1 3.56Å; R502-D569 PolarHBondContact NE-OD1 3.39Å; R502-D569 IonicContact NE-OD2 2.74Å; R502-D569 PolarHBondContact NE-OD2 2.85Å; R502-D569 IonicContact NH2-OD1 3.15Å; R502-D569 PolarHBondContact NH2-OD1 3.49Å; R502-D569 IonicContact NH2-OD2 2.76Å; T565-D569 PolarHBondContact O-N 3.29Å; F566-D569 PolarHBondContact O-N 3.1Å; D569-L573 PolarHBondContact O-N 3.09Å |
| 570 | L | 83.4 | Confident | 77.7 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.8 | -42.9 | 176.1 | -171.6 | 69.7 | 0 | 0 | 0 | 112.2 | L501 L549 L554 Y555 F566 Q567 T568 N572 L573 Y574 | L501-L570 HydrophobicContact CD1-CB 4.41Å; L501-L570 HydrophobicContact CD1-CD1 4.47Å; L501-L570 HydrophobicContact CD2-CD1 4.17Å; L549-L570 HydrophobicContact CD2-CD1 3.49Å; L549-L570 VanDerWaalsContact CD2-CD1 3.49Å; L549-L570 HydrophobicContact CD2-CG 4.26Å; L554-L570 HydrophobicContact CD1-CD1 4.23Å; Y555-L570 HydrophobicContact CE2-CD2 3.96Å; F566-L570 HydrophobicContact CE1-CD2 4.27Å; F566-L570 VanDerWaalsContact O-CB 3.29Å; F566-L570 WeakPolarHBondContact O-CB 3.41Å; F566-L570 PolarHBondContact O-N 3.22Å; Q567-L570 PolarHBondContact O-N 3.35Å; T568-L570 VanDerWaalsContact C-N 3.33Å; T568-L570 PolarHBondContact O-N 2.97Å; L570-N572 VanDerWaalsContact C-N 3.33Å; L570-L573 PolarHBondContact O-N 3.18Å; L570-Y574 WeakPolarHBondContact O-CB 3.34Å; L570-Y574 PolarHBondContact O-N 3.13Å |
| 571 | D | 82.6 | Confident | 79.7 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 176.3 | -74.7 | -28.5 | 0 | 0 | 0 | 111.3 | Q567 T568 Y574 A575 S618 V621 | Q567-D571 PolarHBondContact NE2-OD1 3.48Å; Q567-D571 PolarHBondContact NE2-OD2 3Å; Q567-D571 WeakPolarHBondContact O-CB 3.47Å; Q567-D571 VanDerWaalsContact O-CG 3.25Å; Q567-D571 PolarHBondContact O-N 3.05Å; T568-D571 PolarHBondContact O-N 3.29Å; D571-Y574 PolarHBondContact O-N 3.29Å; D571-A575 WeakPolarHBondContact O-CB 3.34Å; D571-A575 PolarHBondContact O-N 3.36Å; D571-S618 WeakPolarHBondContact CB-OG 3.49Å; D571-S618 WeakPolarHBondContact OD2-CB 3.34Å; D571-V621 HydrophobicContact CB-CG2 4.13Å; D571-V621 VanDerWaalsContact O-CG2 3.31Å; D571-V621 WeakPolarHBondContact O-CG2 3.48Å |
| 572 | N | 85.8 | Confident | 81.8 | Confident | 56 Ų | 56 | 37.6 Ų | 37.6 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63 | -48.1 | 172.7 | -77.2 | -19.5 | 0 | 0 | 0 | 111.2 | T568 L570 Y574 A575 Q576 | T568-N572 WeakPolarHBondContact O-CB 3.33Å; T568-N572 VanDerWaalsContact O-CG 3.22Å; T568-N572 PolarHBondContact O-N 3.15Å; T568-N572 PolarHBondContact O-ND2 2.67Å; L570-N572 VanDerWaalsContact C-N 3.33Å; N572-Y574 VanDerWaalsContact C-N 3.3Å; N572-Y574 PolarHBondContact O-N 3.4Å; N572-A575 PolarHBondContact O-N 3.46Å; N572-Q576 VanDerWaalsContact O-CG 3.32Å; N572-Q576 WeakPolarHBondContact O-CG 3.48Å; N572-Q576 PolarHBondContact O-N 3.43Å |
| 573 | L | 88.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58 | -44.4 | 174.7 | 175.7 | 61.2 | 0 | 0 | 0 | 111.3 | L471 L501 F504 A505 L549 D569 L570 A575 Q576 V577 | L471-L573 HydrophobicContact CD1-CD2 3.89Å; L501-L573 HydrophobicContact CD2-CD2 3.56Å; F504-L573 HydrophobicContact CB-CD1 3.76Å; F504-L573 HydrophobicContact CB-CD2 4.44Å; F504-L573 HydrophobicContact CD1-CD1 3.65Å; F504-L573 HydrophobicContact CD1-CD2 3.67Å; F504-L573 HydrophobicContact CD1-CG 4.29Å; F504-L573 HydrophobicContact CD2-CD1 4.28Å; F504-L573 HydrophobicContact CE1-CD1 4.31Å; F504-L573 HydrophobicContact CE1-CD2 4.34Å; F504-L573 HydrophobicContact CG-CD1 3.62Å; F504-L573 HydrophobicContact CG-CD2 4.35Å; A505-L573 HydrophobicContact CB-CD1 4.36Å; L549-L573 HydrophobicContact CD1-CG 4.31Å; L549-L573 HydrophobicContact CD2-CD2 4.48Å; D569-L573 PolarHBondContact O-N 3.09Å; L570-L573 PolarHBondContact O-N 3.18Å; L573-A575 PolarHBondContact O-N 2.93Å; L573-Q576 PolarHBondContact O-N 3.39Å; L573-V577 HydrophobicContact CD1-CG2 3.97Å; L573-V577 HydrophobicContact CG-CG2 4.32Å; L573-V577 VanDerWaalsContact O-CG2 3.32Å; L573-V577 WeakPolarHBondContact O-CG2 3.38Å; L573-V577 PolarHBondContact O-N 3.47Å |
| 574 | Y | 88.5 | Confident | 84.5 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 178.7 | -167.5 | 175.2 | 0 | 0 | 0 | 111.5 | L546 L549 L570 D571 N572 Q576 V577 L578 I607 V621 | L546-Y574 HydrophobicContact CD1-CD2 4.03Å; L546-Y574 HydrophobicContact CD1-CE2 3.46Å; L546-Y574 VanDerWaalsContact CD1-CE2 3.46Å; L549-Y574 HydrophobicContact CB-CD1 4.27Å; L549-Y574 HydrophobicContact CB-CD2 4.28Å; L549-Y574 HydrophobicContact CB-CE1 4.49Å; L549-Y574 HydrophobicContact CB-CG 4.15Å; L549-Y574 HydrophobicContact CD1-CD2 4.26Å; L549-Y574 HydrophobicContact CD1-CG 4.23Å; L570-Y574 WeakPolarHBondContact O-CB 3.34Å; L570-Y574 PolarHBondContact O-N 3.13Å; D571-Y574 PolarHBondContact O-N 3.29Å; N572-Y574 VanDerWaalsContact C-N 3.3Å; N572-Y574 PolarHBondContact O-N 3.4Å; Y574-Q576 PolarHBondContact O-N 3.04Å; Y574-V577 PolarHBondContact O-N 2.92Å; Y574-L578 HydrophobicContact CD2-CD1 3.91Å; Y574-L578 HydrophobicContact CD2-CG 4.13Å; Y574-L578 HydrophobicContact CE2-CD1 3.87Å; Y574-L578 HydrophobicContact CE2-CD2 4.45Å; Y574-L578 HydrophobicContact CE2-CG 4.13Å; Y574-L578 WeakPolarHBondContact O-CG 3.24Å; Y574-L578 PolarHBondContact O-N 3.49Å; Y574-L578 VanDerWaalsContact O-N 3.14Å; Y574-I607 HydrophobicContact CE2-CD1 4.12Å; Y574-I607 WeakPolarHBondContact OH-CD1 3.45Å; Y574-I607 WeakPolarHBondContact OH-CG1 3.33Å; Y574-V621 HydrophobicContact CD1-CG1 3.73Å; Y574-V621 HydrophobicContact CD1-CG2 3.95Å; Y574-V621 HydrophobicContact CD2-CG1 4.2Å; Y574-V621 HydrophobicContact CE1-CG1 3.83Å; Y574-V621 HydrophobicContact CE2-CG1 4.22Å; Y574-V621 HydrophobicContact CG-CG1 3.94Å; Y574-V621 HydrophobicContact CG-CG2 3.99Å |
| 575 | A | 88.4 | Confident | 85.4 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 3% | 0.025 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D571 N572 L573 V577 L578 L579 I620 A624 | D571-A575 WeakPolarHBondContact O-CB 3.34Å; D571-A575 PolarHBondContact O-N 3.36Å; N572-A575 PolarHBondContact O-N 3.46Å; L573-A575 PolarHBondContact O-N 2.93Å; A575-V577 PolarHBondContact O-N 3.26Å; A575-L578 WeakPolarHBondContact O-CB 3.39Å; A575-L578 PolarHBondContact O-N 2.91Å; A575-L579 WeakPolarHBondContact O-CG 2.99Å; A575-L579 PolarHBondContact O-N 3.34Å; A575-I620 HydrophobicContact CB-CG2 3.65Å; A575-A624 HydrophobicContact CB-CB 3.86Å |
| 576 | Q | 90.9 | Very high | 85.8 | Confident | 39 Ų | 39 | 24.3 Ų | 24.3 | 18% | 0.182 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.1 | -34.6 | -179.2 | -65 | -56.9 | -21.3 | 0 | 0 | 113.3 | A505 C508 Q509 N572 L573 Y574 L579 A580 | A505-Q576 HydrophobicContact CB-CB 4.38Å; A505-Q576 HydrophobicContact CB-CG 4.09Å; C508-Q576 HydrophobicContact CB-CB 3.74Å; Q509-Q576 HydrophobicContact CG-CG 4.18Å; Q509-Q576 VanDerWaalsContact CG-OE1 3.26Å; N572-Q576 VanDerWaalsContact O-CG 3.32Å; N572-Q576 WeakPolarHBondContact O-CG 3.48Å; N572-Q576 PolarHBondContact O-N 3.43Å; L573-Q576 PolarHBondContact O-N 3.39Å; Y574-Q576 PolarHBondContact O-N 3.04Å; Q576-L579 PolarHBondContact O-N 3.33Å; Q576-A580 WeakPolarHBondContact O-CB 3.48Å; Q576-A580 PolarHBondContact O-N 3.4Å |
| 577 | V | 91.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 172.4 | 169 | 0 | 0 | 0 | 0 | 110.8 | L542 T545 L546 L549 L573 Y574 A575 L579 A580 M581 | L542-V577 HydrophobicContact CD2-CG1 3.99Å; T545-V577 HydrophobicContact CG2-CG2 4Å; L546-V577 HydrophobicContact CB-CG1 4.25Å; L546-V577 HydrophobicContact CD1-CG1 4.36Å; L549-V577 HydrophobicContact CD1-CG2 4.25Å; L573-V577 HydrophobicContact CD1-CG2 3.97Å; L573-V577 HydrophobicContact CG-CG2 4.32Å; L573-V577 VanDerWaalsContact O-CG2 3.32Å; L573-V577 WeakPolarHBondContact O-CG2 3.38Å; L573-V577 PolarHBondContact O-N 3.47Å; Y574-V577 PolarHBondContact O-N 2.92Å; A575-V577 PolarHBondContact O-N 3.26Å; V577-L579 VanDerWaalsContact C-N 3.32Å; V577-L579 PolarHBondContact O-N 3.45Å; V577-A580 PolarHBondContact O-N 3.18Å; V577-M581 HydrophobicContact CG1-SD 4.21Å; V577-M581 VanDerWaalsContact O-CG 3.3Å; V577-M581 WeakPolarHBondContact O-CG 3.22Å; V577-M581 PolarHBondContact O-N 3.36Å |
| 578 | L | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 175.7 | -71.6 | 166 | 0 | 0 | 0 | 111.9 | L546 Y574 A575 M581 R582 L604 I607 V621 A624 A625 L628 | L546-L578 HydrophobicContact CD1-CD2 3.6Å; L546-L578 HydrophobicContact CD1-CG 4.07Å; Y574-L578 HydrophobicContact CD2-CD1 3.91Å; Y574-L578 HydrophobicContact CD2-CG 4.13Å; Y574-L578 HydrophobicContact CE2-CD1 3.87Å; Y574-L578 HydrophobicContact CE2-CD2 4.45Å; Y574-L578 HydrophobicContact CE2-CG 4.13Å; Y574-L578 WeakPolarHBondContact O-CG 3.24Å; Y574-L578 PolarHBondContact O-N 3.49Å; Y574-L578 VanDerWaalsContact O-N 3.14Å; A575-L578 WeakPolarHBondContact O-CB 3.39Å; A575-L578 PolarHBondContact O-N 2.91Å; L578-M581 PolarHBondContact O-N 3.36Å; L578-R582 PolarHBondContact O-N 3.42Å; L578-L604 HydrophobicContact CD2-CD2 4.38Å; L578-I607 HydrophobicContact CD1-CD1 4.22Å; L578-V621 HydrophobicContact CD1-CG1 4.08Å; L578-A624 HydrophobicContact CB-CB 4.03Å; L578-A624 HydrophobicContact CD1-CB 4.15Å; L578-A625 HydrophobicContact CD1-CB 4.03Å; L578-L628 HydrophobicContact CD2-CD2 3.75Å |
| 579 | L | 89.7 | Confident | 85.5 | Confident | 30 Ų | 30 | 25.9 Ų | 25.9 | 16% | 0.157 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.7 | -37.2 | 176.6 | -67.2 | 175.3 | 0 | 0 | 0 | 112.9 | V512 A575 Q576 V577 R582 S583 A624 E627 | V512-L579 HydrophobicContact CG2-CB 4.24Å; A575-L579 WeakPolarHBondContact O-CG 2.99Å; A575-L579 PolarHBondContact O-N 3.34Å; Q576-L579 PolarHBondContact O-N 3.33Å; V577-L579 VanDerWaalsContact C-N 3.32Å; V577-L579 PolarHBondContact O-N 3.45Å; L579-R582 WeakPolarHBondContact O-CB 3.3Å; L579-R582 PolarHBondContact O-N 2.88Å; L579-S583 PolarHBondContact O-N 2.87Å; L579-S583 VanDerWaalsContact O-N 3.14Å; L579-S583 PolarHBondContact O-OG 2.92Å; L579-A624 HydrophobicContact CD2-CB 4.31Å; L579-A624 HydrophobicContact CG-CB 4.12Å; L579-E627 WeakPolarHBondContact CD2-OE2 3.36Å |
| 580 | A | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | C508 V511 V512 L542 Q576 V577 R582 S583 I584 | C508-A580 HydrophobicContact CB-CB 4.27Å; V511-A580 HydrophobicContact CG1-CB 4.47Å; V512-A580 HydrophobicContact CG2-CB 4.13Å; L542-A580 HydrophobicContact CD1-CB 4.24Å; L542-A580 HydrophobicContact CD2-CB 3.77Å; Q576-A580 WeakPolarHBondContact O-CB 3.48Å; Q576-A580 PolarHBondContact O-N 3.4Å; V577-A580 PolarHBondContact O-N 3.18Å; A580-R582 VanDerWaalsContact C-N 3.33Å; A580-R582 PolarHBondContact O-N 3.39Å; A580-S583 PolarHBondContact O-N 3.5Å; A580-S583 VanDerWaalsContact O-N 3.12Å; A580-I584 WeakPolarHBondContact O-CG1 3.49Å; A580-I584 PolarHBondContact O-N 3.07Å |
| 581 | M | 88.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 173.4 | -69.3 | 173.9 | 82.1 | 0 | 0 | 111.9 | L542 L543 L546 V577 L578 S583 I584 F585 L600 L628 | L542-M581 HydrophobicContact CB-CG 3.78Å; L542-M581 HydrophobicContact CB-SD 4.39Å; L542-M581 HydrophobicContact CD1-CG 4.01Å; L542-M581 HydrophobicContact CD2-CG 4.2Å; L542-M581 HydrophobicContact CG-CG 4.25Å; L543-M581 HydrophobicContact CD1-CE 4.1Å; L546-M581 HydrophobicContact CB-SD 4.04Å; L546-M581 HydrophobicContact CD1-SD 4.33Å; L546-M581 HydrophobicContact CD2-CE 3.73Å; L546-M581 HydrophobicContact CD2-SD 3.7Å; L546-M581 HydrophobicContact CG-SD 4.23Å; V577-M581 HydrophobicContact CG1-SD 4.21Å; V577-M581 VanDerWaalsContact O-CG 3.3Å; V577-M581 WeakPolarHBondContact O-CG 3.22Å; V577-M581 PolarHBondContact O-N 3.36Å; L578-M581 PolarHBondContact O-N 3.36Å; M581-S583 PolarHBondContact O-N 3.17Å; M581-I584 PolarHBondContact O-N 2.98Å; M581-F585 HydrophobicContact CB-CD2 4.44Å; M581-F585 HydrophobicContact CB-CE1 4.26Å; M581-F585 HydrophobicContact CB-CE2 4.15Å; M581-F585 HydrophobicContact CB-CZ 4.11Å; M581-F585 HydrophobicContact CE-CE1 4.04Å; M581-F585 HydrophobicContact CE-CE2 3.69Å; M581-F585 HydrophobicContact CE-CZ 3.17Å; M581-F585 HydrophobicContact CG-CE1 4.31Å; M581-F585 HydrophobicContact CG-CZ 4.19Å; M581-F585 VanDerWaalsContact O-CB 3.27Å; M581-F585 WeakPolarHBondContact O-CB 3.25Å; M581-F585 WeakPolarHBondContact O-CD1 3.39Å; M581-F585 WeakPolarHBondContact O-CG 3.42Å; M581-F585 PolarHBondContact O-N 2.76Å; M581-L600 HydrophobicContact CE-CD1 3.7Å; M581-L628 HydrophobicContact CB-CD2 4.48Å |
| 582 | R | 88.2 | Confident | 81.9 | Confident | 73 Ų | 73 | 31.6 Ų | 31.6 | 28% | 0.275 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -54.9 | -37.3 | 175.6 | -172.6 | -176.5 | 68.3 | 75.8 | -2.5 | 112 | L578 L579 A580 L628 F631 | L578-R582 PolarHBondContact O-N 3.42Å; L579-R582 WeakPolarHBondContact O-CB 3.3Å; L579-R582 PolarHBondContact O-N 2.88Å; A580-R582 VanDerWaalsContact C-N 3.33Å; A580-R582 PolarHBondContact O-N 3.39Å; R582-L628 HydrophobicContact CB-CD1 3.82Å; R582-L628 HydrophobicContact CG-CD1 4.36Å; R582-F631 HydrophobicContact CG-CB 3.64Å; R582-F631 HydrophobicContact CG-CD1 4.1Å; R582-F631 HydrophobicContact CG-CD2 4.05Å; R582-F631 HydrophobicContact CG-CG 3.62Å |
| 583 | S | 87.5 | Confident | 81 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -85.9 | -32.6 | -174 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | L579 A580 M581 P586 | L579-S583 PolarHBondContact O-N 2.87Å; L579-S583 VanDerWaalsContact O-N 3.14Å; L579-S583 PolarHBondContact O-OG 2.92Å; A580-S583 PolarHBondContact O-N 3.5Å; A580-S583 VanDerWaalsContact O-N 3.12Å; M581-S583 PolarHBondContact O-N 3.17Å; S583-P586 WeakPolarHBondContact O-CD 3.15Å |
| 584 | I | 87.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -88 | -38 | -175.8 | -65.5 | -68.2 | 0 | 0 | 0 | 113 | F457 V511 A515 L535 L538 L542 A580 M581 P586 L587 T588 | F457-I584 HydrophobicContact CE2-CD1 4.25Å; F457-I584 HydrophobicContact CZ-CD1 4.19Å; V511-I584 HydrophobicContact CG1-CD1 3.95Å; V511-I584 HydrophobicContact CG1-CG1 3.98Å; A515-I584 HydrophobicContact CB-CD1 3.62Å; A515-I584 HydrophobicContact CB-CG1 4.35Å; L535-I584 HydrophobicContact CD2-CD1 3.72Å; L535-I584 HydrophobicContact CD2-CG2 4.18Å; L538-I584 HydrophobicContact CD2-CD1 3.76Å; L538-I584 HydrophobicContact CD2-CG1 3.8Å; L542-I584 HydrophobicContact CD1-CG1 4.42Å; A580-I584 WeakPolarHBondContact O-CG1 3.49Å; A580-I584 PolarHBondContact O-N 3.07Å; M581-I584 PolarHBondContact O-N 2.98Å; I584-P586 VanDerWaalsContact C-N 3.33Å; I584-P586 WeakPolarHBondContact O-CD 3.5Å; I584-P586 VanDerWaalsContact O-N 3.16Å; I584-L587 WeakPolarHBondContact O-CB 3.42Å; I584-L587 PolarHBondContact O-N 2.72Å; I584-T588 HydrophobicContact CG2-CG2 3.99Å; I584-T588 PolarHBondContact O-N 3.42Å |
| 585 | F | 84.6 | Confident | 79 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.3 | -177.1 | -76 | 2.2 | 0 | 0 | 0 | 117.3 | S539 M581 L587 T588 M591 L600 I636 | S539-F585 WeakPolarHBondContact OG-CE1 3.41Å; M581-F585 HydrophobicContact CB-CD2 4.44Å; M581-F585 HydrophobicContact CB-CE1 4.26Å; M581-F585 HydrophobicContact CB-CE2 4.15Å; M581-F585 HydrophobicContact CB-CZ 4.11Å; M581-F585 HydrophobicContact CE-CE1 4.04Å; M581-F585 HydrophobicContact CE-CE2 3.69Å; M581-F585 HydrophobicContact CE-CZ 3.17Å; M581-F585 HydrophobicContact CG-CE1 4.31Å; M581-F585 HydrophobicContact CG-CZ 4.19Å; M581-F585 VanDerWaalsContact O-CB 3.27Å; M581-F585 WeakPolarHBondContact O-CB 3.25Å; M581-F585 WeakPolarHBondContact O-CD1 3.39Å; M581-F585 WeakPolarHBondContact O-CG 3.42Å; M581-F585 PolarHBondContact O-N 2.76Å; F585-L587 PolarHBondContact O-N 3.25Å; F585-T588 PolarHBondContact O-OG1 3.25Å; F585-M591 HydrophobicContact CB-CG 4.15Å; F585-M591 HydrophobicContact CB-SD 4.35Å; F585-M591 HydrophobicContact CD1-SD 4.3Å; F585-M591 HydrophobicContact CD2-CE 3.86Å; F585-M591 HydrophobicContact CD2-CG 4.48Å; F585-M591 HydrophobicContact CD2-SD 3.62Å; F585-M591 HydrophobicContact CE1-SD 4.42Å; F585-M591 HydrophobicContact CE2-CE 4.11Å; F585-M591 HydrophobicContact CE2-SD 3.76Å; F585-M591 HydrophobicContact CG-CG 4.26Å; F585-M591 HydrophobicContact CG-SD 3.87Å; F585-M591 HydrophobicContact CZ-SD 4.11Å; F585-L600 HydrophobicContact CE2-CD2 3.85Å; F585-I636 HydrophobicContact CB-CD1 4.19Å |
| 586 | P | 79.9 | Confident | 78.3 | Confident | 59 Ų | 59 | 44 Ų | 44 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -28.4 | 174.8 | -23.6 | 37.4 | 0 | 0 | 0 | 113.6 | S583 I584 F631 | S583-P586 WeakPolarHBondContact O-CD 3.15Å; I584-P586 VanDerWaalsContact C-N 3.33Å; I584-P586 WeakPolarHBondContact O-CD 3.5Å; I584-P586 VanDerWaalsContact O-N 3.16Å; P586-F631 HydrophobicContact CB-CE1 4.47Å; P586-F631 HydrophobicContact CB-CZ 4.12Å; P586-F631 HydrophobicContact CG-CE1 3.37Å; P586-F631 HydrophobicContact CG-CE2 4.27Å; P586-F631 HydrophobicContact CG-CZ 3.14Å |
| 587 | L | 81.1 | Confident | 77.6 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 18% | 0.183 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -16.7 | -171 | -52.4 | 170.9 | 0 | 0 | 0 | 111 | A515 M518 D519 L535 I584 F585 | A515-L587 HydrophobicContact CB-CD1 4.33Å; A515-L587 WeakPolarHBondContact O-CD1 3.43Å; M518-L587 HydrophobicContact CB-CD1 4.22Å; D519-L587 HydrophobicContact CB-CD2 4.35Å; L535-L587 HydrophobicContact CD1-CB 3.81Å; L535-L587 HydrophobicContact CD2-CD1 4.4Å; I584-L587 WeakPolarHBondContact O-CB 3.42Å; I584-L587 PolarHBondContact O-N 2.72Å; F585-L587 PolarHBondContact O-N 3.25Å |
| 588 | T | 77.8 | Confident | 77 | Confident | 18 Ų | 18 | 46 Ų | 46 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | trans | -96 | 141 | -179.1 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | L535 I584 F585 A590 | L535-T588 HydrophobicContact CB-CG2 3.72Å; I584-T588 HydrophobicContact CG2-CG2 3.99Å; I584-T588 PolarHBondContact O-N 3.42Å; F585-T588 PolarHBondContact O-OG1 3.25Å; T588-A590 PolarHBondContact O-N 2.64Å | ||
| 589 | K | 68.9 | Low | 76.5 | Confident | 148 Ų | 148 | 51.5 Ų | 51.5 | 64% | 0.643 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -74.8 | -10.1 | 167.4 | -64.8 | 171 | -170.7 | 149.3 | 0 | 112.4 | E532 M591 S592 | E532-K589 WeakPolarHBondContact OE1-CE 2.96Å; E532-K589 IonicContact OE1-NZ 2.77Å; E532-K589 PolarHBondContact OE1-NZ 3.35Å; E532-K589 IonicContact OE2-NZ 2.96Å; E532-K589 PolarHBondContact OE2-NZ 2.88Å; K589-M591 PolarHBondContact O-N 3.42Å; K589-M591 VanDerWaalsContact O-N 3.1Å; K589-S592 PolarHBondContact O-N 3.36Å; K589-S592 PolarHBondContact O-OG 3.36Å |
| 590 | A | 57.2 | Low | 76.2 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -57.9 | -25.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | T588 S592 G593 | T588-A590 PolarHBondContact O-N 2.64Å; A590-S592 PolarHBondContact O-N 3.48Å; A590-S592 VanDerWaalsContact O-N 3.12Å; A590-G593 PolarHBondContact O-N 3.12Å |
| 591 | M | 57.3 | Low | 75.7 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -71.7 | 1.4 | 179.5 | -64.6 | -59.1 | -71.1 | 0 | 0 | 114.7 | F585 K589 G593 L597 I636 | F585-M591 HydrophobicContact CB-CG 4.15Å; F585-M591 HydrophobicContact CB-SD 4.35Å; F585-M591 HydrophobicContact CD1-SD 4.3Å; F585-M591 HydrophobicContact CD2-CE 3.86Å; F585-M591 HydrophobicContact CD2-CG 4.48Å; F585-M591 HydrophobicContact CD2-SD 3.62Å; F585-M591 HydrophobicContact CE1-SD 4.42Å; F585-M591 HydrophobicContact CE2-CE 4.11Å; F585-M591 HydrophobicContact CE2-SD 3.76Å; F585-M591 HydrophobicContact CG-CG 4.26Å; F585-M591 HydrophobicContact CG-SD 3.87Å; F585-M591 HydrophobicContact CZ-SD 4.11Å; K589-M591 PolarHBondContact O-N 3.42Å; K589-M591 VanDerWaalsContact O-N 3.1Å; M591-G593 VanDerWaalsContact C-N 3.29Å; M591-L597 HydrophobicContact CE-CD2 3.38Å; M591-L597 HydrophobicContact CE-CG 4.23Å; M591-I636 HydrophobicContact CE-CD1 4.05Å; M591-I636 HydrophobicContact CG-CD1 4.39Å |
| 592 | S | 58 | Low | 75.4 | Confident | 108 Ų | 108 | 52.2 Ų | 52.2 | 76% | 0.755 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -75.2 | -15.2 | 172.7 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | K589 A590 E594 | K589-S592 PolarHBondContact O-N 3.36Å; K589-S592 PolarHBondContact O-OG 3.36Å; A590-S592 PolarHBondContact O-N 3.48Å; A590-S592 VanDerWaalsContact O-N 3.12Å; S592-E594 PolarHBondContact O-N 2.79Å |
| 593 | G | 65 | Low | 75.1 | Confident | 28 Ų | 28 | 49.6 Ų | 49.6 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | trans | -80.2 | 115 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A590 M591 E595 L596 | A590-G593 PolarHBondContact O-N 3.12Å; M591-G593 VanDerWaalsContact C-N 3.29Å; G593-E595 VanDerWaalsContact C-N 3.25Å; G593-E595 PolarHBondContact O-N 2.74Å; G593-L596 PolarHBondContact O-N 2.72Å | ||
| 594 | E | 66.2 | Low | 74.9 | Confident | 127 Ų | 127 | 48.8 Ų | 48.8 | 59% | 0.593 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -57.5 | -38 | 177.4 | -69.3 | -172.9 | 165.3 | 0 | 0 | 112 | S592 L596 L597 H598 | S592-E594 PolarHBondContact O-N 2.79Å; E594-L596 PolarHBondContact O-N 3.2Å; E594-L597 WeakPolarHBondContact O-CB 3.39Å; E594-L597 PolarHBondContact O-N 3.42Å; E594-H598 PolarHBondContact O-N 2.89Å; E594-H598 PolarHBondContact O-ND1 2.87Å |
| 595 | E | 70.9 | Confident | 74.5 | Confident | 126 Ų | 126 | 49.4 Ų | 49.4 | 59% | 0.589 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.2 | -38.4 | -177.5 | -166.2 | -179.3 | 171.3 | 0 | 0 | 113.6 | G593 H598 R599 | G593-E595 VanDerWaalsContact C-N 3.25Å; G593-E595 PolarHBondContact O-N 2.74Å; E595-H598 PolarHBondContact O-N 3.29Å; E595-R599 WeakPolarHBondContact O-CG 3.13Å; E595-R599 PolarHBondContact O-N 3.32Å; E595-R599 VanDerWaalsContact O-N 3.08Å; E595-R599 IonicContact OE1-CZ 2.68Å; E595-R599 IonicContact OE1-NE 3.76Å; E595-R599 IonicContact OE1-NH2 2.84Å; E595-R599 PolarHBondContact OE1-NH2 3Å |
| 596 | L | 73.5 | Confident | 74.2 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 29% | 0.288 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 178.5 | -64.5 | 177.3 | 0 | 0 | 0 | 111.4 | L543 G593 E594 R599 L600 | L543-L596 HydrophobicContact CD2-CD2 3.56Å; G593-L596 PolarHBondContact O-N 2.72Å; E594-L596 PolarHBondContact O-N 3.2Å; L596-R599 PolarHBondContact O-N 3.05Å; L596-L600 WeakPolarHBondContact O-CB 3.49Å; L596-L600 PolarHBondContact O-N 3.11Å |
| 597 | L | 75.3 | Confident | 74.4 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 174 | -75.2 | 165.6 | 0 | 0 | 0 | 110.7 | M591 E594 R599 L600 F601 P638 | M591-L597 HydrophobicContact CE-CD2 3.38Å; M591-L597 HydrophobicContact CE-CG 4.23Å; E594-L597 WeakPolarHBondContact O-CB 3.39Å; E594-L597 PolarHBondContact O-N 3.42Å; L597-R599 VanDerWaalsContact C-N 3.31Å; L597-R599 PolarHBondContact O-N 3.05Å; L597-L600 PolarHBondContact O-N 3.25Å; L597-F601 HydrophobicContact CB-CD2 4.38Å; L597-F601 HydrophobicContact CB-CE2 4.4Å; L597-F601 HydrophobicContact CD2-CE2 3.93Å; L597-F601 WeakPolarHBondContact O-CD2 3.38Å; L597-F601 PolarHBondContact O-N 3.2Å; L597-P638 HydrophobicContact CD1-CB 4Å; L597-P638 HydrophobicContact CD1-CG 4.38Å; L597-P638 HydrophobicContact CD2-CG 4.35Å |
| 598 | H | 78.9 | Confident | 74.3 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 35% | 0.347 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 178.6 | -72.8 | 87.6 | 0 | 0 | 0 | 112.2 | E594 E595 A602 | E594-H598 PolarHBondContact O-N 2.89Å; E594-H598 PolarHBondContact O-ND1 2.87Å; E595-H598 PolarHBondContact O-N 3.29Å; H598-A602 WeakPolarHBondContact O-CB 3.49Å; H598-A602 PolarHBondContact O-N 2.82Å |
| 599 | R | 79.2 | Confident | 73.9 | Confident | 116 Ų | 116 | 50.6 Ų | 50.6 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 176.1 | -69.7 | 179.1 | -170.1 | -167.7 | 5.3 | 112.1 | E595 L596 L597 F601 A602 I603 | E595-R599 WeakPolarHBondContact O-CG 3.13Å; E595-R599 PolarHBondContact O-N 3.32Å; E595-R599 VanDerWaalsContact O-N 3.08Å; E595-R599 IonicContact OE1-CZ 2.68Å; E595-R599 IonicContact OE1-NE 3.76Å; E595-R599 IonicContact OE1-NH2 2.84Å; E595-R599 PolarHBondContact OE1-NH2 3Å; L596-R599 PolarHBondContact O-N 3.05Å; L597-R599 VanDerWaalsContact C-N 3.31Å; L597-R599 PolarHBondContact O-N 3.05Å; R599-F601 PolarHBondContact O-N 3.39Å; R599-A602 WeakPolarHBondContact O-CB 3.37Å; R599-A602 PolarHBondContact O-N 3.42Å; R599-I603 WeakPolarHBondContact O-CG1 3.45Å; R599-I603 PolarHBondContact O-N 2.72Å; R599-I603 VanDerWaalsContact O-N 3.17Å |
| 600 | L | 83.4 | Confident | 73.3 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 177.4 | -177.4 | 69.9 | 0 | 0 | 0 | 111.6 | L546 M581 F585 L596 L597 A602 I603 L604 L628 I632 | L546-L600 HydrophobicContact CD2-CD1 3.64Å; M581-L600 HydrophobicContact CE-CD1 3.7Å; F585-L600 HydrophobicContact CE2-CD2 3.85Å; L596-L600 WeakPolarHBondContact O-CB 3.49Å; L596-L600 PolarHBondContact O-N 3.11Å; L597-L600 PolarHBondContact O-N 3.25Å; L600-A602 VanDerWaalsContact C-N 3.34Å; L600-A602 PolarHBondContact O-N 3.33Å; L600-I603 PolarHBondContact O-N 3.13Å; L600-L604 HydrophobicContact CG-CD1 4.29Å; L600-L604 WeakPolarHBondContact O-CG 3.18Å; L600-L604 PolarHBondContact O-N 3.17Å; L600-L628 HydrophobicContact CD1-CD2 4.32Å; L600-I632 HydrophobicContact CD2-CD1 3.68Å |
| 601 | F | 81.3 | Confident | 72.9 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71 | -27.5 | 178.7 | -75.8 | -66.1 | 0 | 0 | 0 | 113.4 | L597 R599 I603 L604 G605 L629 I632 L641 I644 I647 | L597-F601 HydrophobicContact CB-CD2 4.38Å; L597-F601 HydrophobicContact CB-CE2 4.4Å; L597-F601 HydrophobicContact CD2-CE2 3.93Å; L597-F601 WeakPolarHBondContact O-CD2 3.38Å; L597-F601 PolarHBondContact O-N 3.2Å; R599-F601 PolarHBondContact O-N 3.39Å; F601-I603 VanDerWaalsContact C-N 3.31Å; F601-L604 HydrophobicContact CD1-CD1 4Å; F601-L604 HydrophobicContact CE1-CD1 4.11Å; F601-G605 WeakPolarHBondContact O-CA 3.32Å; F601-G605 PolarHBondContact O-N 2.99Å; F601-L629 HydrophobicContact CD1-CD1 4.41Å; F601-L629 HydrophobicContact CE1-CD1 3.68Å; F601-I632 HydrophobicContact CZ-CD1 4.36Å; F601-I632 HydrophobicContact CZ-CG2 3.83Å; F601-L641 HydrophobicContact CE1-CD1 3.97Å; F601-L641 HydrophobicContact CE1-CG 4.26Å; F601-L641 HydrophobicContact CE2-CD1 3.9Å; F601-L641 HydrophobicContact CE2-CG 4.12Å; F601-L641 HydrophobicContact CZ-CD1 3.26Å; F601-L641 HydrophobicContact CZ-CG 3.77Å; F601-I644 HydrophobicContact CB-CD1 4.17Å; F601-I644 HydrophobicContact CB-CG2 3.8Å; F601-I644 HydrophobicContact CD2-CD1 3.22Å; F601-I644 HydrophobicContact CE2-CD1 3.8Å; F601-I644 HydrophobicContact CG-CD1 3.87Å; F601-I644 HydrophobicContact CG-CG2 4.37Å; F601-I647 HydrophobicContact CD1-CD1 3.82Å; F601-I647 HydrophobicContact CD1-CG1 4.19Å; F601-I647 HydrophobicContact CE1-CD1 3.95Å; F601-I647 HydrophobicContact CE1-CG1 4.48Å |
| 602 | A | 81.1 | Confident | 72.4 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H598 R599 L600 S606 | H598-A602 WeakPolarHBondContact O-CB 3.49Å; H598-A602 PolarHBondContact O-N 2.82Å; R599-A602 WeakPolarHBondContact O-CB 3.37Å; R599-A602 PolarHBondContact O-N 3.42Å; L600-A602 VanDerWaalsContact C-N 3.34Å; L600-A602 PolarHBondContact O-N 3.33Å; A602-S606 PolarHBondContact O-N 2.76Å |
| 603 | I | 82.4 | Confident | 71.8 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 9% | 0.087 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69 | -48.2 | 176.1 | -62.8 | 167.8 | 0 | 0 | 0 | 111 | L546 Q547 A550 R599 L600 F601 G605 S606 I607 | L546-I603 HydrophobicContact CD1-CG2 4.48Å; L546-I603 HydrophobicContact CD2-CD1 3.87Å; L546-I603 HydrophobicContact CD2-CG2 4.22Å; L546-I603 HydrophobicContact CG-CD1 4.08Å; L546-I603 HydrophobicContact CG-CG2 4.23Å; Q547-I603 HydrophobicContact CG-CD1 4Å; A550-I603 HydrophobicContact CB-CD1 4.38Å; A550-I603 HydrophobicContact CB-CG1 4.12Å; A550-I603 HydrophobicContact CB-CG2 3.68Å; R599-I603 WeakPolarHBondContact O-CG1 3.45Å; R599-I603 PolarHBondContact O-N 2.72Å; R599-I603 VanDerWaalsContact O-N 3.17Å; L600-I603 PolarHBondContact O-N 3.13Å; F601-I603 VanDerWaalsContact C-N 3.31Å; I603-G605 VanDerWaalsContact C-N 3.26Å; I603-G605 PolarHBondContact O-N 3.15Å; I603-S606 PolarHBondContact O-N 2.74Å; I603-S606 VanDerWaalsContact O-N 3.09Å; I603-S606 PolarHBondContact O-OG 2.98Å; I603-I607 HydrophobicContact CG2-CD1 4.27Å; I603-I607 WeakPolarHBondContact O-CG1 3.14Å; I603-I607 PolarHBondContact O-N 3.44Å |
| 604 | L | 84 | Confident | 70.8 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 175.9 | -68.5 | 174.7 | 0 | 0 | 0 | 111.5 | L578 L600 F601 S606 I607 F608 A625 L628 I632 | L578-L604 HydrophobicContact CD2-CD2 4.38Å; L600-L604 HydrophobicContact CG-CD1 4.29Å; L600-L604 WeakPolarHBondContact O-CG 3.18Å; L600-L604 PolarHBondContact O-N 3.17Å; F601-L604 HydrophobicContact CD1-CD1 4Å; F601-L604 HydrophobicContact CE1-CD1 4.11Å; L604-S606 VanDerWaalsContact C-N 3.31Å; L604-S606 PolarHBondContact O-N 3.17Å; L604-I607 HydrophobicContact CD2-CD1 4.36Å; L604-I607 PolarHBondContact O-N 2.91Å; L604-F608 HydrophobicContact CB-CE2 4.32Å; L604-F608 WeakPolarHBondContact O-CD2 3.43Å; L604-F608 PolarHBondContact O-N 3.03Å; L604-F608 VanDerWaalsContact O-N 3.08Å; L604-A625 HydrophobicContact CD2-CB 3.79Å; L604-L628 HydrophobicContact CD2-CD2 4.35Å; L604-I632 HydrophobicContact CD1-CD1 4.41Å |
| 605 | G | 79.1 | Confident | 70.2 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 13% | 0.134 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -35.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F601 I603 A609 | F601-G605 WeakPolarHBondContact O-CA 3.32Å; F601-G605 PolarHBondContact O-N 2.99Å; I603-G605 VanDerWaalsContact C-N 3.26Å; I603-G605 PolarHBondContact O-N 3.15Å; G605-A609 VanDerWaalsContact O-CB 3.3Å; G605-A609 WeakPolarHBondContact O-CB 3.39Å; G605-A609 PolarHBondContact O-N 3.3Å |
| 606 | S | 78.6 | Confident | 69.8 | Low | 70 Ų | 70 | 56.9 Ų | 56.9 | 49% | 0.49 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -73.5 | -34.4 | 175.3 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | A602 I603 L604 F608 A609 | A602-S606 PolarHBondContact O-N 2.76Å; I603-S606 PolarHBondContact O-N 2.74Å; I603-S606 VanDerWaalsContact O-N 3.09Å; I603-S606 PolarHBondContact O-OG 2.98Å; L604-S606 VanDerWaalsContact C-N 3.31Å; L604-S606 PolarHBondContact O-N 3.17Å; S606-F608 VanDerWaalsContact C-N 3.31Å; S606-F608 PolarHBondContact O-N 2.93Å; S606-A609 PolarHBondContact O-N 2.98Å |
| 607 | I | 82.4 | Confident | 69.7 | Low | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 173.8 | -63.3 | 168.6 | 0 | 0 | 0 | 110.8 | Y574 L578 I603 L604 A617 V621 Q622 A625 | Y574-I607 HydrophobicContact CE2-CD1 4.12Å; Y574-I607 WeakPolarHBondContact OH-CD1 3.45Å; Y574-I607 WeakPolarHBondContact OH-CG1 3.33Å; L578-I607 HydrophobicContact CD1-CD1 4.22Å; I603-I607 HydrophobicContact CG2-CD1 4.27Å; I603-I607 WeakPolarHBondContact O-CG1 3.14Å; I603-I607 PolarHBondContact O-N 3.44Å; L604-I607 HydrophobicContact CD2-CD1 4.36Å; L604-I607 PolarHBondContact O-N 2.91Å; I607-A617 HydrophobicContact CG2-CB 3.94Å; I607-V621 HydrophobicContact CD1-CG1 4.26Å; I607-V621 HydrophobicContact CG2-CG1 4.19Å; I607-Q622 HydrophobicContact CG2-CG 4.17Å; I607-A625 HydrophobicContact CB-CB 4.5Å; I607-A625 HydrophobicContact CD1-CB 3.87Å; I607-A625 HydrophobicContact CG2-CB 3.88Å |
| 608 | F | 79.6 | Confident | 70 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.018 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -3.5 | 178.2 | -58.3 | -54.4 | 0 | 0 | 0 | 114.1 | L604 S606 C610 A625 L629 L650 L661 V665 V669 | L604-F608 HydrophobicContact CB-CE2 4.32Å; L604-F608 WeakPolarHBondContact O-CD2 3.43Å; L604-F608 PolarHBondContact O-N 3.03Å; L604-F608 VanDerWaalsContact O-N 3.08Å; S606-F608 VanDerWaalsContact C-N 3.31Å; S606-F608 PolarHBondContact O-N 2.93Å; F608-C610 PolarHBondContact O-N 2.67Å; F608-C610 PolarHBondContact O-SG 3.15Å; F608-A625 HydrophobicContact CE1-CB 4.25Å; F608-A625 HydrophobicContact CE2-CB 4.42Å; F608-A625 HydrophobicContact CZ-CB 3.77Å; F608-L629 HydrophobicContact CE2-CD2 3.99Å; F608-L650 HydrophobicContact CB-CD2 3.89Å; F608-L650 HydrophobicContact CD2-CD1 4.17Å; F608-L661 HydrophobicContact CD1-CD1 4.25Å; F608-V665 HydrophobicContact CD1-CG1 4.39Å; F608-V665 HydrophobicContact CE1-CG1 3.87Å; F608-V669 HydrophobicContact CE1-CG2 4.14Å; F608-V669 HydrophobicContact CZ-CG2 4.17Å |
| 609 | A | 70.6 | Confident | 70.2 | Confident | 64 Ų | 64 | 56.9 Ų | 56.9 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | trans | -69.4 | 117.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G605 S606 N611 | G605-A609 VanDerWaalsContact O-CB 3.3Å; G605-A609 WeakPolarHBondContact O-CB 3.39Å; G605-A609 PolarHBondContact O-N 3.3Å; S606-A609 PolarHBondContact O-N 2.98Å; A609-N611 PolarHBondContact O-N 2.78Å | ||
| 610 | C | 55.2 | Low | 70.3 | Confident | 43 Ų | 43 | 55.4 Ų | 55.4 | 29% | 0.291 | 37% | 0.373 | S | S | . | . | trans | -90.8 | 19.9 | -172.4 | -51.2 | 0 | 0 | 0 | 0 | 115.4 | F608 G612 Q660 | F608-C610 PolarHBondContact O-N 2.67Å; F608-C610 PolarHBondContact O-SG 3.15Å; C610-G612 PolarHBondContact O-N 3.35Å; C610-Q660 HydrophobicContact CB-CB 4.27Å; C610-Q660 HydrophobicContact CB-CG 4.26Å; C610-Q660 PolarHBondContact SG-OE1 2.84Å | ||
| 611 | N | 48.3 | Very low | 70.5 | Confident | 152 Ų | 152 | 55.3 Ų | 55.3 | 81% | 0.813 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -89.6 | 87.8 | -176.2 | -74.8 | -10.4 | 0 | 0 | 0 | 111.1 | A609 S613 | A609-N611 PolarHBondContact O-N 2.78Å; N611-S613 PolarHBondContact O-N 3.32Å |
| 612 | G | 48 | Very low | 70.8 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 93% | 0.928 | 38% | 0.376 | S | S | * | . | trans | 37.5 | 20.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | C610 | C610-G612 PolarHBondContact O-N 3.35Š| ||
| 613 | S | 45.3 | Very low | 71.2 | Confident | 74 Ų | 74 | 56.6 Ų | 56.6 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | trans | -90.6 | 148.3 | 180 | -179 | 0 | 0 | 0 | 0 | 108.8 | N611 T615 | N611-S613 PolarHBondContact O-N 3.32Å; S613-T615 WeakPolarHBondContact CB-OG1 3.35Å; S613-T615 PolarHBondContact O-N 2.92Å; S613-T615 PolarHBondContact OG-OG1 3.47Å | ||
| 614 | L | 44.3 | Very low | 71.4 | Confident | 188 Ų | 188 | 56 Ų | 56 | 98% | 0.984 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -61.5 | 16.2 | 172.1 | -75.6 | 123.4 | 0 | 0 | 0 | 114 | ||
| 615 | T | 52.9 | Low | 71.8 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | trans | -136.3 | 45.3 | -168.9 | 59.9 | 0 | 0 | 0 | 0 | 111.2 | S613 A617 | S613-T615 WeakPolarHBondContact CB-OG1 3.35Å; S613-T615 PolarHBondContact O-N 2.92Å; S613-T615 PolarHBondContact OG-OG1 3.47Å; T615-A617 PolarHBondContact O-N 3.27Å | ||
| 616 | A | 62.8 | Low | 72.3 | Confident | 89 Ų | 89 | 55.3 Ų | 55.3 | 74% | 0.736 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 129.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 617 | A | 70.8 | Confident | 72.9 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 24% | 0.24 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 147.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I607 T615 V621 Q622 | I607-A617 HydrophobicContact CG2-CB 3.94Å; T615-A617 PolarHBondContact O-N 3.27Å; A617-V621 HydrophobicContact CB-CG1 4.34Å; A617-Q622 HydrophobicContact CB-CG 4.18Å; A617-Q622 PolarHBondContact O-NE2 3.08Å |
| 618 | S | 81.6 | Confident | 73.2 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 154.7 | 178.6 | 78.2 | 0 | 0 | 0 | 0 | 111.6 | D571 I620 V621 Q622 | D571-S618 WeakPolarHBondContact CB-OG 3.49Å; D571-S618 WeakPolarHBondContact OD2-CB 3.34Å; S618-I620 PolarHBondContact O-N 3.47Å; S618-V621 PolarHBondContact O-N 3.45Å; S618-V621 VanDerWaalsContact O-N 3.17Å; S618-V621 WeakPolarHBondContact OG-CG2 3.42Å; S618-V621 PolarHBondContact OG-N 2.86Å; S618-Q622 WeakPolarHBondContact O-CG 3.48Å; S618-Q622 PolarHBondContact O-N 3.21Å |
| 619 | P | 82.8 | Confident | 73.7 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -31.1 | -178.6 | 24.3 | -34.2 | 0 | 0 | 0 | 112.9 | Q622 Q623 P662 | P619-Q622 PolarHBondContact O-N 3.04Å; P619-Q623 WeakPolarHBondContact O-CB 3.4Å; P619-Q623 PolarHBondContact O-N 3.34Å; P619-P662 HydrophobicContact CB-CG 4.2Å |
| 620 | I | 82.5 | Confident | 74.7 | Confident | 86 Ų | 86 | 52.5 Ų | 52.5 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 177.7 | -55.8 | 175.9 | 0 | 0 | 0 | 110.2 | A575 S618 Q623 A624 | A575-I620 HydrophobicContact CB-CG2 3.65Å; S618-I620 PolarHBondContact O-N 3.47Å; I620-Q623 PolarHBondContact O-N 3.46Å; I620-A624 PolarHBondContact O-N 3.23Å |
| 621 | V | 86.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 176 | 176 | 0 | 0 | 0 | 0 | 111 | D571 Y574 L578 I607 A617 S618 Q623 A624 A625 | D571-V621 HydrophobicContact CB-CG2 4.13Å; D571-V621 VanDerWaalsContact O-CG2 3.31Å; D571-V621 WeakPolarHBondContact O-CG2 3.48Å; Y574-V621 HydrophobicContact CD1-CG1 3.73Å; Y574-V621 HydrophobicContact CD1-CG2 3.95Å; Y574-V621 HydrophobicContact CD2-CG1 4.2Å; Y574-V621 HydrophobicContact CE1-CG1 3.83Å; Y574-V621 HydrophobicContact CE2-CG1 4.22Å; Y574-V621 HydrophobicContact CG-CG1 3.94Å; Y574-V621 HydrophobicContact CG-CG2 3.99Å; L578-V621 HydrophobicContact CD1-CG1 4.08Å; I607-V621 HydrophobicContact CD1-CG1 4.26Å; I607-V621 HydrophobicContact CG2-CG1 4.19Å; A617-V621 HydrophobicContact CB-CG1 4.34Å; S618-V621 PolarHBondContact O-N 3.45Å; S618-V621 VanDerWaalsContact O-N 3.17Å; S618-V621 WeakPolarHBondContact OG-CG2 3.42Å; S618-V621 PolarHBondContact OG-N 2.86Å; V621-Q623 VanDerWaalsContact C-N 3.31Å; V621-Q623 PolarHBondContact O-N 3.26Å; V621-A624 PolarHBondContact O-N 3.1Å; V621-A625 WeakPolarHBondContact O-CB 3.4Å; V621-A625 PolarHBondContact O-N 2.9Å |
| 622 | Q | 88.3 | Confident | 78.1 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 175.7 | -68.9 | 176.7 | 1.1 | 0 | 0 | 112.1 | I607 A617 S618 P619 S626 V665 | I607-Q622 HydrophobicContact CG2-CG 4.17Å; A617-Q622 HydrophobicContact CB-CG 4.18Å; A617-Q622 PolarHBondContact O-NE2 3.08Å; S618-Q622 WeakPolarHBondContact O-CG 3.48Å; S618-Q622 PolarHBondContact O-N 3.21Å; P619-Q622 PolarHBondContact O-N 3.04Å; Q622-S626 WeakPolarHBondContact O-CB 3.41Å; Q622-S626 PolarHBondContact O-N 3.4Å; Q622-V665 HydrophobicContact CB-CG1 4.17Å; Q622-V665 HydrophobicContact CB-CG2 4.11Å |
| 623 | Q | 88.7 | Confident | 80 | Confident | 50 Ų | 50 | 40.5 Ų | 40.5 | 23% | 0.234 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -53.8 | 175.7 | -178.4 | 62.9 | 25.9 | 0 | 0 | 111.3 | P619 I620 V621 A625 S626 E627 V665 | P619-Q623 WeakPolarHBondContact O-CB 3.4Å; P619-Q623 PolarHBondContact O-N 3.34Å; I620-Q623 PolarHBondContact O-N 3.46Å; V621-Q623 VanDerWaalsContact C-N 3.31Å; V621-Q623 PolarHBondContact O-N 3.26Å; Q623-A625 VanDerWaalsContact C-N 3.31Å; Q623-A625 PolarHBondContact O-N 3.4Å; Q623-S626 WeakPolarHBondContact O-CB 3.32Å; Q623-S626 PolarHBondContact O-N 3.33Å; Q623-S626 PolarHBondContact O-OG 3.12Å; Q623-E627 PolarHBondContact NE2-OE1 3.37Å; Q623-E627 PolarHBondContact O-N 2.89Å; Q623-V665 HydrophobicContact CB-CG2 4.31Å |
| 624 | A | 87.7 | Confident | 81.9 | Confident | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A575 L578 L579 I620 V621 S626 E627 L628 | A575-A624 HydrophobicContact CB-CB 3.86Å; L578-A624 HydrophobicContact CB-CB 4.03Å; L578-A624 HydrophobicContact CD1-CB 4.15Å; L579-A624 HydrophobicContact CD2-CB 4.31Å; L579-A624 HydrophobicContact CG-CB 4.12Å; I620-A624 PolarHBondContact O-N 3.23Å; V621-A624 PolarHBondContact O-N 3.1Å; A624-S626 VanDerWaalsContact C-N 3.33Å; A624-S626 PolarHBondContact O-N 3.28Å; A624-E627 PolarHBondContact O-N 3.49Å; A624-L628 PolarHBondContact O-N 3.48Å |
| 625 | A | 90.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L578 L604 I607 F608 V621 Q623 E627 L628 L629 | L578-A625 HydrophobicContact CD1-CB 4.03Å; L604-A625 HydrophobicContact CD2-CB 3.79Å; I607-A625 HydrophobicContact CB-CB 4.5Å; I607-A625 HydrophobicContact CD1-CB 3.87Å; I607-A625 HydrophobicContact CG2-CB 3.88Å; F608-A625 HydrophobicContact CE1-CB 4.25Å; F608-A625 HydrophobicContact CE2-CB 4.42Å; F608-A625 HydrophobicContact CZ-CB 3.77Å; V621-A625 WeakPolarHBondContact O-CB 3.4Å; V621-A625 PolarHBondContact O-N 2.9Å; Q623-A625 VanDerWaalsContact C-N 3.31Å; Q623-A625 PolarHBondContact O-N 3.4Å; A625-E627 VanDerWaalsContact C-N 3.35Å; A625-L628 PolarHBondContact O-N 2.85Å; A625-L629 WeakPolarHBondContact O-CB 3.46Å; A625-L629 PolarHBondContact O-N 3.32Å |
| 626 | S | 90.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.3 | -35.2 | 178.4 | 79.7 | 0 | 0 | 0 | 0 | 112.3 | Q622 Q623 A624 L629 L630 N668 | Q622-S626 WeakPolarHBondContact O-CB 3.41Å; Q622-S626 PolarHBondContact O-N 3.4Å; Q623-S626 WeakPolarHBondContact O-CB 3.32Å; Q623-S626 PolarHBondContact O-N 3.33Å; Q623-S626 PolarHBondContact O-OG 3.12Å; A624-S626 VanDerWaalsContact C-N 3.33Å; A624-S626 PolarHBondContact O-N 3.28Å; S626-L629 PolarHBondContact O-N 3.43Å; S626-L630 VanDerWaalsContact O-CB 3.27Å; S626-L630 WeakPolarHBondContact O-CB 3.44Å; S626-L630 PolarHBondContact O-N 3.38Å; S626-N668 PolarHBondContact OG-ND2 3.14Å |
| 627 | E | 90.4 | Very high | 86.3 | Confident | 62 Ų | 62 | 27 Ų | 27 | 29% | 0.29 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -70.2 | -40.5 | 175.4 | -71.2 | 177 | -162 | 0 | 0 | 111.8 | L579 Q623 A624 A625 L630 F631 | L579-E627 WeakPolarHBondContact CD2-OE2 3.36Å; Q623-E627 PolarHBondContact NE2-OE1 3.37Å; Q623-E627 PolarHBondContact O-N 2.89Å; A624-E627 PolarHBondContact O-N 3.49Å; A625-E627 VanDerWaalsContact C-N 3.35Å; E627-L630 PolarHBondContact O-N 2.86Å; E627-F631 WeakPolarHBondContact O-CB 3.42Å; E627-F631 PolarHBondContact O-N 2.81Å |
| 628 | L | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 172.1 | 179 | 59.7 | 0 | 0 | 0 | 111 | L578 M581 R582 L600 L604 A624 A625 L630 F631 I632 | L578-L628 HydrophobicContact CD2-CD2 3.75Å; M581-L628 HydrophobicContact CB-CD2 4.48Å; R582-L628 HydrophobicContact CB-CD1 3.82Å; R582-L628 HydrophobicContact CG-CD1 4.36Å; L600-L628 HydrophobicContact CD1-CD2 4.32Å; L604-L628 HydrophobicContact CD2-CD2 4.35Å; A624-L628 PolarHBondContact O-N 3.48Å; A625-L628 PolarHBondContact O-N 2.85Å; L628-L630 PolarHBondContact O-N 3.38Å; L628-F631 PolarHBondContact O-N 2.97Å; L628-I632 HydrophobicContact CD1-CD1 3.95Å; L628-I632 HydrophobicContact CD1-CG1 4.19Å; L628-I632 HydrophobicContact CG-CD1 3.85Å; L628-I632 WeakPolarHBondContact O-CD1 3.41Å; L628-I632 VanDerWaalsContact O-CG1 3.24Å; L628-I632 WeakPolarHBondContact O-CG1 3.33Å; L628-I632 PolarHBondContact O-N 3.32Å |
| 629 | L | 89.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 176.7 | 179.6 | 63.5 | 0 | 0 | 0 | 111.9 | F601 F608 A625 S626 F631 I632 S633 I647 V669 | F601-L629 HydrophobicContact CD1-CD1 4.41Å; F601-L629 HydrophobicContact CE1-CD1 3.68Å; F608-L629 HydrophobicContact CE2-CD2 3.99Å; A625-L629 WeakPolarHBondContact O-CB 3.46Å; A625-L629 PolarHBondContact O-N 3.32Å; S626-L629 PolarHBondContact O-N 3.43Å; L629-F631 VanDerWaalsContact C-N 3.3Å; L629-F631 PolarHBondContact O-N 3.01Å; L629-I632 PolarHBondContact O-N 3.1Å; L629-S633 VanDerWaalsContact O-CB 3.29Å; L629-S633 WeakPolarHBondContact O-CB 3.33Å; L629-S633 PolarHBondContact O-N 2.85Å; L629-S633 PolarHBondContact O-OG 3.3Å; L629-I647 HydrophobicContact CD1-CD1 4.11Å; L629-V669 HydrophobicContact CD2-CG2 4.26Å |
| 630 | L | 90.5 | Very high | 86.7 | Confident | 24 Ų | 24 | 26.5 Ų | 26.5 | 13% | 0.126 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 176.9 | 177.7 | 61.1 | 0 | 0 | 0 | 111.1 | S626 E627 L628 S633 T634 I671 S672 Y739 | S626-L630 VanDerWaalsContact O-CB 3.27Å; S626-L630 WeakPolarHBondContact O-CB 3.44Å; S626-L630 PolarHBondContact O-N 3.38Å; E627-L630 PolarHBondContact O-N 2.86Å; L628-L630 PolarHBondContact O-N 3.38Å; L630-S633 PolarHBondContact O-N 3.35Å; L630-T634 HydrophobicContact CD1-CG2 3.87Å; L630-T634 WeakPolarHBondContact O-CB 3.34Å; L630-T634 WeakPolarHBondContact O-CG2 3.39Å; L630-T634 PolarHBondContact O-N 3.01Å; L630-T634 PolarHBondContact O-OG1 2.87Å; L630-I671 HydrophobicContact CD1-CB 3.98Å; L630-I671 HydrophobicContact CD1-CG2 3.37Å; L630-S672 WeakPolarHBondContact CA-OG 3.48Å; L630-S672 WeakPolarHBondContact CB-OG 3.42Å; L630-S672 PolarHBondContact N-OG 3.19Å; L630-S672 VanDerWaalsContact N-OG 3.16Å; L630-Y739 HydrophobicContact CD1-CE1 4.41Å; L630-Y739 HydrophobicContact CD1-CE2 4.33Å; L630-Y739 HydrophobicContact CD2-CE2 4.25Å |
| 631 | F | 88.4 | Confident | 86.5 | Confident | 32 Ų | 32 | 22.5 Ų | 22.5 | 14% | 0.14 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 178.1 | -176.6 | -87.1 | 0 | 0 | 0 | 112.3 | R582 P586 E627 L628 L629 S633 T634 V635 I636 | R582-F631 HydrophobicContact CG-CB 3.64Å; R582-F631 HydrophobicContact CG-CD1 4.1Å; R582-F631 HydrophobicContact CG-CD2 4.05Å; R582-F631 HydrophobicContact CG-CG 3.62Å; P586-F631 HydrophobicContact CB-CE1 4.47Å; P586-F631 HydrophobicContact CB-CZ 4.12Å; P586-F631 HydrophobicContact CG-CE1 3.37Å; P586-F631 HydrophobicContact CG-CE2 4.27Å; P586-F631 HydrophobicContact CG-CZ 3.14Å; E627-F631 WeakPolarHBondContact O-CB 3.42Å; E627-F631 PolarHBondContact O-N 2.81Å; L628-F631 PolarHBondContact O-N 2.97Å; L629-F631 VanDerWaalsContact C-N 3.3Å; L629-F631 PolarHBondContact O-N 3.01Å; F631-S633 PolarHBondContact O-N 2.69Å; F631-T634 PolarHBondContact O-N 2.99Å; F631-T634 PolarHBondContact O-OG1 3.42Å; F631-V635 HydrophobicContact CD1-CB 4.48Å; F631-V635 HydrophobicContact CD2-CB 4.38Å; F631-V635 HydrophobicContact CD2-CG2 3.86Å; F631-V635 HydrophobicContact CE1-CB 3.9Å; F631-V635 HydrophobicContact CE1-CG1 4.19Å; F631-V635 HydrophobicContact CE1-CG2 4.39Å; F631-V635 HydrophobicContact CE2-CB 3.86Å; F631-V635 HydrophobicContact CE2-CG1 4.2Å; F631-V635 HydrophobicContact CE2-CG2 3.45Å; F631-V635 VanDerWaalsContact CE2-CG2 3.45Å; F631-V635 HydrophobicContact CG-CG2 4.49Å; F631-V635 HydrophobicContact CZ-CB 3.54Å; F631-V635 HydrophobicContact CZ-CG1 3.61Å; F631-V635 HydrophobicContact CZ-CG2 3.69Å; F631-V635 WeakPolarHBondContact O-CB 3.38Å; F631-V635 PolarHBondContact O-N 3.24Å; F631-I636 HydrophobicContact CE1-CD1 4.32Å; F631-I636 HydrophobicContact CE1-CG1 4.16Å |
| 632 | I | 87.2 | Confident | 86 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -59.4 | -41 | 176.8 | -64.6 | 161.4 | 0 | 0 | 0 | 110.3 | L600 F601 L604 L628 L629 T634 I636 R637 P638 L641 | L600-I632 HydrophobicContact CD2-CD1 3.68Å; F601-I632 HydrophobicContact CZ-CD1 4.36Å; F601-I632 HydrophobicContact CZ-CG2 3.83Å; L604-I632 HydrophobicContact CD1-CD1 4.41Å; L628-I632 HydrophobicContact CD1-CD1 3.95Å; L628-I632 HydrophobicContact CD1-CG1 4.19Å; L628-I632 HydrophobicContact CG-CD1 3.85Å; L628-I632 WeakPolarHBondContact O-CD1 3.41Å; L628-I632 VanDerWaalsContact O-CG1 3.24Å; L628-I632 WeakPolarHBondContact O-CG1 3.33Å; L628-I632 PolarHBondContact O-N 3.32Å; L629-I632 PolarHBondContact O-N 3.1Å; I632-T634 VanDerWaalsContact C-N 3.34Å; I632-T634 PolarHBondContact O-N 3.33Å; I632-I636 HydrophobicContact CG1-CD1 4.14Å; I632-I636 HydrophobicContact CG2-CB 4.38Å; I632-I636 PolarHBondContact O-N 3.36Å; I632-R637 PolarHBondContact O-N 2.96Å; I632-P638 HydrophobicContact CG2-CG 4.32Å; I632-L641 HydrophobicContact CG2-CD1 4.05Å |
| 633 | S | 87.1 | Confident | 85.7 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -71.8 | -24.6 | -177 | -57.3 | 0 | 0 | 0 | 0 | 114 | L629 L630 F631 R637 S672 | L629-S633 VanDerWaalsContact O-CB 3.29Å; L629-S633 WeakPolarHBondContact O-CB 3.33Å; L629-S633 PolarHBondContact O-N 2.85Å; L629-S633 PolarHBondContact O-OG 3.3Å; L630-S633 PolarHBondContact O-N 3.35Å; F631-S633 PolarHBondContact O-N 2.69Å; S633-R637 VanDerWaalsContact O-CG 3.31Å; S633-R637 WeakPolarHBondContact O-CG 3.42Å; S633-S672 WeakPolarHBondContact CB-O 3.47Å |
| 634 | T | 86.9 | Confident | 85.4 | Confident | 21 Ų | 21 | 24.2 Ų | 24.2 | 13% | 0.129 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -107.4 | -38.1 | -173.3 | 56 | 0 | 0 | 0 | 0 | 112.1 | L630 F631 I632 R637 L679 Y739 | L630-T634 HydrophobicContact CD1-CG2 3.87Å; L630-T634 WeakPolarHBondContact O-CB 3.34Å; L630-T634 WeakPolarHBondContact O-CG2 3.39Å; L630-T634 PolarHBondContact O-N 3.01Å; L630-T634 PolarHBondContact O-OG1 2.87Å; F631-T634 PolarHBondContact O-N 2.99Å; F631-T634 PolarHBondContact O-OG1 3.42Å; I632-T634 VanDerWaalsContact C-N 3.34Å; I632-T634 PolarHBondContact O-N 3.33Å; T634-R637 VanDerWaalsContact O-CD 3.29Å; T634-R637 WeakPolarHBondContact O-CD 3.39Å; T634-R637 PolarHBondContact O-NE 3.45Å; T634-L679 HydrophobicContact CG2-CD1 4.4Å; T634-Y739 HydrophobicContact CG2-CE1 3.83Å; T634-Y739 VanDerWaalsContact CG2-OH 3.28Å; T634-Y739 WeakPolarHBondContact CG2-OH 3.49Å |
| 635 | V | 84.8 | Confident | 85.1 | Confident | 48 Ų | 48 | 27.7 Ų | 27.7 | 29% | 0.291 | 15% | 0.145 | S | C | . | . | I | π-helix | trans | -96.4 | -56.9 | -177.9 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | F631 K682 | F631-V635 HydrophobicContact CD1-CB 4.48Å; F631-V635 HydrophobicContact CD2-CB 4.38Å; F631-V635 HydrophobicContact CD2-CG2 3.86Å; F631-V635 HydrophobicContact CE1-CB 3.9Å; F631-V635 HydrophobicContact CE1-CG1 4.19Å; F631-V635 HydrophobicContact CE1-CG2 4.39Å; F631-V635 HydrophobicContact CE2-CB 3.86Å; F631-V635 HydrophobicContact CE2-CG1 4.2Å; F631-V635 HydrophobicContact CE2-CG2 3.45Å; F631-V635 VanDerWaalsContact CE2-CG2 3.45Å; F631-V635 HydrophobicContact CG-CG2 4.49Å; F631-V635 HydrophobicContact CZ-CB 3.54Å; F631-V635 HydrophobicContact CZ-CG1 3.61Å; F631-V635 HydrophobicContact CZ-CG2 3.69Å; F631-V635 WeakPolarHBondContact O-CB 3.38Å; F631-V635 PolarHBondContact O-N 3.24Å; V635-K682 WeakPolarHBondContact O-CD 3.23Å; V635-K682 WeakPolarHBondContact O-CE 3.44Å; V635-K682 PolarHBondContact O-NZ 3.14Å |
| 636 | I | 81.7 | Confident | 84.8 | Confident | 32 Ų | 32 | 30.1 Ų | 30.1 | 16% | 0.164 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -74.7 | -47.5 | -173.1 | -57.4 | 179 | 0 | 0 | 0 | 111.3 | F585 M591 F631 I632 | F585-I636 HydrophobicContact CB-CD1 4.19Å; M591-I636 HydrophobicContact CE-CD1 4.05Å; M591-I636 HydrophobicContact CG-CD1 4.39Å; F631-I636 HydrophobicContact CE1-CD1 4.32Å; F631-I636 HydrophobicContact CE1-CG1 4.16Å; I632-I636 HydrophobicContact CG1-CD1 4.14Å; I632-I636 HydrophobicContact CG2-CB 4.38Å; I632-I636 PolarHBondContact O-N 3.36Å |
| 637 | R | 85.2 | Confident | 84.4 | Confident | 49 Ų | 49 | 30.3 Ų | 30.3 | 19% | 0.185 | 16% | 0.157 | C | C | . | . | trans | 53.4 | 55.1 | 175.7 | -61.6 | 178.2 | -76.5 | 166.1 | -13.6 | 114.6 | I632 S633 T634 P680 K682 | I632-R637 PolarHBondContact O-N 2.96Å; S633-R637 VanDerWaalsContact O-CG 3.31Å; S633-R637 WeakPolarHBondContact O-CG 3.42Å; T634-R637 VanDerWaalsContact O-CD 3.29Å; T634-R637 WeakPolarHBondContact O-CD 3.39Å; T634-R637 PolarHBondContact O-NE 3.45Å; R637-P680 WeakPolarHBondContact CD-O 3.38Å; R637-P680 PolarHBondContact NH1-O 3.49Å; R637-K682 HydrophobicContact CB-CG 4.41Å; R637-K682 VanDerWaalsContact NH2-CE 3.27Å | ||
| 638 | P | 81.9 | Confident | 84.1 | Confident | 19 Ų | 19 | 31.4 Ų | 31.4 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | trans | -71.8 | 140.1 | -179.9 | 30.3 | -32.7 | 0 | 0 | 0 | 112 | L597 I632 C640 L641 Y676 | L597-P638 HydrophobicContact CD1-CB 4Å; L597-P638 HydrophobicContact CD1-CG 4.38Å; L597-P638 HydrophobicContact CD2-CG 4.35Å; I632-P638 HydrophobicContact CG2-CG 4.32Å; P638-C640 VanDerWaalsContact C-N 3.35Å; P638-C640 PolarHBondContact O-N 3.43Å; P638-L641 HydrophobicContact CG-CB 4.13Å; P638-L641 HydrophobicContact CG-CD1 3.99Å; P638-Y676 WeakPolarHBondContact O-CE2 3.48Å; P638-Y676 VanDerWaalsContact O-CZ 3.28Å; P638-Y676 PolarHBondContact O-OH 3.25Å | ||
| 639 | K | 81.8 | Confident | 83.8 | Confident | 86 Ų | 86 | 34.3 Ų | 34.3 | 37% | 0.374 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -64 | -33.3 | -176.8 | -177.3 | 178.7 | 177.4 | -177.3 | 0 | 113.9 | L641 Y676 W681 V684 | K639-L641 VanDerWaalsContact C-N 3.26Å; K639-L641 PolarHBondContact O-N 2.94Å; K639-Y676 VanDerWaalsContact C-OH 3.28Å; K639-Y676 PolarHBondContact O-OH 3.36Å; K639-W681 HydrophobicContact CB-CD2 4.47Å; K639-W681 HydrophobicContact CB-CE3 4.42Å; K639-W681 HydrophobicContact CD-CE3 4.24Å; K639-W681 HydrophobicContact CD-CZ3 4.21Å; K639-W681 HydrophobicContact CG-CD2 4.25Å; K639-W681 HydrophobicContact CG-CE3 3.83Å; K639-W681 HydrophobicContact CG-CH2 4.33Å; K639-W681 HydrophobicContact CG-CZ3 3.88Å; K639-V684 HydrophobicContact CB-CG2 4.34Å; K639-V684 HydrophobicContact CD-CG2 4.34Å |
| 640 | C | 79.4 | Confident | 83.5 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 12% | 0.115 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -73.2 | -10.2 | -174.8 | 59.7 | 0 | 0 | 0 | 0 | 114.7 | P638 L642 D643 I644 | P638-C640 VanDerWaalsContact C-N 3.35Å; P638-C640 PolarHBondContact O-N 3.43Å; C640-L642 VanDerWaalsContact C-N 3.28Å; C640-L642 PolarHBondContact O-N 3.21Å; C640-D643 WeakPolarHBondContact O-CB 3.2Å; C640-D643 PolarHBondContact O-N 3.22Å; C640-I644 WeakPolarHBondContact O-CG1 3.48Å; C640-I644 PolarHBondContact O-N 3.12Å |
| 641 | L | 78.1 | Confident | 83.2 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -65.7 | -25.7 | -169.4 | -174.9 | 161.6 | 0 | 0 | 0 | 113.5 | F601 I632 P638 K639 D643 I647 Y676 | F601-L641 HydrophobicContact CE1-CD1 3.97Å; F601-L641 HydrophobicContact CE1-CG 4.26Å; F601-L641 HydrophobicContact CE2-CD1 3.9Å; F601-L641 HydrophobicContact CE2-CG 4.12Å; F601-L641 HydrophobicContact CZ-CD1 3.26Å; F601-L641 HydrophobicContact CZ-CG 3.77Å; I632-L641 HydrophobicContact CG2-CD1 4.05Å; P638-L641 HydrophobicContact CG-CB 4.13Å; P638-L641 HydrophobicContact CG-CD1 3.99Å; K639-L641 VanDerWaalsContact C-N 3.26Å; K639-L641 PolarHBondContact O-N 2.94Å; L641-D643 VanDerWaalsContact C-N 3.29Å; L641-I647 HydrophobicContact CD2-CB 4.46Å; L641-I647 HydrophobicContact CD2-CD1 4.11Å; L641-I647 HydrophobicContact CD2-CG1 3.88Å; L641-I647 HydrophobicContact CD2-CG2 3.93Å; L641-I647 HydrophobicContact CG-CG1 4.14Å; L641-I647 WeakPolarHBondContact O-CB 3.5Å; L641-Y676 HydrophobicContact CB-CE1 3.74Å; L641-Y676 HydrophobicContact CB-CE2 3.99Å; L641-Y676 VanDerWaalsContact CB-CZ 3.49Å; L641-Y676 WeakPolarHBondContact CB-OH 3.36Å; L641-Y676 HydrophobicContact CD2-CD1 3.42Å; L641-Y676 VanDerWaalsContact CD2-CD1 3.42Å; L641-Y676 HydrophobicContact CD2-CD2 4.29Å; L641-Y676 HydrophobicContact CD2-CE1 3.39Å; L641-Y676 HydrophobicContact CD2-CE2 4.36Å; L641-Y676 HydrophobicContact CD2-CG 3.87Å; L641-Y676 HydrophobicContact CG-CE1 4.12Å; L641-Y676 PolarHBondContact N-OH 2.99Å; L641-Y676 VanDerWaalsContact N-OH 3.13Å |
| 642 | L | 77.4 | Confident | 83 | Confident | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -72.3 | -24.2 | 172.9 | -74.2 | -172.4 | 0 | 0 | 0 | 112.5 | C640 I644 Q648 Y676 W681 R694 M697 | C640-L642 VanDerWaalsContact C-N 3.28Å; C640-L642 PolarHBondContact O-N 3.21Å; L642-I644 VanDerWaalsContact C-N 3.33Å; L642-Q648 WeakPolarHBondContact O-CG 3.39Å; L642-Q648 PolarHBondContact O-NE2 2.8Å; L642-Y676 HydrophobicContact CB-CE1 4Å; L642-Y676 HydrophobicContact CD1-CE1 4.38Å; L642-Y676 HydrophobicContact CD2-CD1 3.51Å; L642-Y676 HydrophobicContact CD2-CE1 3.34Å; L642-Y676 HydrophobicContact CG-CD1 3.92Å; L642-Y676 HydrophobicContact CG-CE1 3.23Å; L642-Y676 VanDerWaalsContact N-CE1 3.35Å; L642-Y676 PolarHBondContact N-OH 3.28Å; L642-W681 HydrophobicContact CD1-CZ2 4.16Å; L642-R694 HydrophobicContact CD1-CG 4.5Å; L642-M697 HydrophobicContact CD1-CE 4.12Å; L642-M697 HydrophobicContact CD1-SD 3.92Å; L642-M697 HydrophobicContact CD2-CE 3.98Å |
| 643 | D | 80.7 | Confident | 82.7 | Confident | 95 Ų | 95 | 42.3 Ų | 42.3 | 51% | 0.508 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -10.1 | -176.4 | -57.6 | -43 | 0 | 0 | 0 | 111.7 | C640 L641 | C640-D643 WeakPolarHBondContact O-CB 3.2Å; C640-D643 PolarHBondContact O-N 3.22Å; L641-D643 VanDerWaalsContact C-N 3.29Å |
| 644 | I | 82.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -75 | 126 | -179.4 | -63.2 | -179.8 | 0 | 0 | 0 | 110.4 | F601 C640 L642 Q646 I647 Q648 | F601-I644 HydrophobicContact CB-CD1 4.17Å; F601-I644 HydrophobicContact CB-CG2 3.8Å; F601-I644 HydrophobicContact CD2-CD1 3.22Å; F601-I644 HydrophobicContact CE2-CD1 3.8Å; F601-I644 HydrophobicContact CG-CD1 3.87Å; F601-I644 HydrophobicContact CG-CG2 4.37Å; C640-I644 WeakPolarHBondContact O-CG1 3.48Å; C640-I644 PolarHBondContact O-N 3.12Å; L642-I644 VanDerWaalsContact C-N 3.33Å; I644-Q646 VanDerWaalsContact C-N 3.28Å; I644-Q646 HydrophobicContact CG2-CB 4.32Å; I644-Q646 PolarHBondContact O-N 3.38Å; I644-I647 HydrophobicContact CB-CG1 4.23Å; I644-I647 HydrophobicContact CG2-CG1 4.32Å; I644-I647 PolarHBondContact O-N 3.42Å; I644-I647 VanDerWaalsContact O-N 3.07Å; I644-Q648 PolarHBondContact O-N 3.1Å; I644-Q648 VanDerWaalsContact O-N 3.13Å | ||
| 645 | P | 82.6 | Confident | 81.8 | Confident | 78 Ų | 78 | 45.5 Ų | 45.5 | 51% | 0.506 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.4 | -31.1 | -173.1 | 22.9 | -31.2 | 0 | 0 | 0 | 113.1 | Q648 S649 | P645-Q648 PolarHBondContact O-N 3.08Å; P645-S649 PolarHBondContact O-N 3.04Å |
| 646 | Q | 82.7 | Confident | 81.5 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 24% | 0.243 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.6 | -31.9 | 176.3 | -64.6 | 82.4 | 0.3 | 0 | 0 | 112.8 | I644 S649 L650 | I644-Q646 VanDerWaalsContact C-N 3.28Å; I644-Q646 HydrophobicContact CG2-CB 4.32Å; I644-Q646 PolarHBondContact O-N 3.38Å; Q646-S649 PolarHBondContact O-OG 2.93Å; Q646-L650 WeakPolarHBondContact O-CG 3.36Å; Q646-L650 PolarHBondContact O-N 3.14Å |
| 647 | I | 83 | Confident | 81.3 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -74.3 | -38.4 | 173.8 | -63.3 | -63 | 0 | 0 | 0 | 110.1 | F601 L629 L641 I644 S649 L650 L651 L673 | F601-I647 HydrophobicContact CD1-CD1 3.82Å; F601-I647 HydrophobicContact CD1-CG1 4.19Å; F601-I647 HydrophobicContact CE1-CD1 3.95Å; F601-I647 HydrophobicContact CE1-CG1 4.48Å; L629-I647 HydrophobicContact CD1-CD1 4.11Å; L641-I647 HydrophobicContact CD2-CB 4.46Å; L641-I647 HydrophobicContact CD2-CD1 4.11Å; L641-I647 HydrophobicContact CD2-CG1 3.88Å; L641-I647 HydrophobicContact CD2-CG2 3.93Å; L641-I647 HydrophobicContact CG-CG1 4.14Å; L641-I647 WeakPolarHBondContact O-CB 3.5Å; I644-I647 HydrophobicContact CB-CG1 4.23Å; I644-I647 HydrophobicContact CG2-CG1 4.32Å; I644-I647 PolarHBondContact O-N 3.42Å; I644-I647 VanDerWaalsContact O-N 3.07Å; I647-S649 VanDerWaalsContact C-N 3.34Å; I647-S649 PolarHBondContact O-N 2.97Å; I647-L650 HydrophobicContact CD1-CD1 4.41Å; I647-L650 PolarHBondContact O-N 3.38Å; I647-L651 HydrophobicContact CG2-CD1 4.28Å; I647-L651 WeakPolarHBondContact O-CG 3.39Å; I647-L651 PolarHBondContact O-N 3.46Å; I647-L673 HydrophobicContact CG2-CD2 3.92Å |
| 648 | Q | 84.5 | Confident | 80.7 | Confident | 85 Ų | 85 | 50.6 Ų | 50.6 | 40% | 0.397 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 175.1 | -66.1 | -177.8 | 0.7 | 0 | 0 | 112.2 | L642 I644 P645 L651 Q652 | L642-Q648 WeakPolarHBondContact O-CG 3.39Å; L642-Q648 PolarHBondContact O-NE2 2.8Å; I644-Q648 PolarHBondContact O-N 3.1Å; I644-Q648 VanDerWaalsContact O-N 3.13Å; P645-Q648 PolarHBondContact O-N 3.08Å; Q648-L651 PolarHBondContact O-N 2.97Å; Q648-Q652 WeakPolarHBondContact O-CG 3.49Å; Q648-Q652 PolarHBondContact O-N 3.43Å |
| 649 | S | 83.8 | Confident | 80.3 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 43% | 0.434 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 174.7 | 68.8 | 0 | 0 | 0 | 0 | 112 | P645 Q646 I647 Q652 A653 | P645-S649 PolarHBondContact O-N 3.04Å; Q646-S649 PolarHBondContact O-OG 2.93Å; I647-S649 VanDerWaalsContact C-N 3.34Å; I647-S649 PolarHBondContact O-N 2.97Å; S649-Q652 PolarHBondContact O-N 3.03Å; S649-A653 VanDerWaalsContact O-CB 3.29Å; S649-A653 WeakPolarHBondContact O-CB 3.45Å; S649-A653 PolarHBondContact O-N 3.18Å |
| 650 | L | 83.5 | Confident | 80 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 173 | -74.6 | 175.2 | 0 | 0 | 0 | 112.5 | F608 Q646 I647 A653 G654 L657 | F608-L650 HydrophobicContact CB-CD2 3.89Å; F608-L650 HydrophobicContact CD2-CD1 4.17Å; Q646-L650 WeakPolarHBondContact O-CG 3.36Å; Q646-L650 PolarHBondContact O-N 3.14Å; I647-L650 HydrophobicContact CD1-CD1 4.41Å; I647-L650 PolarHBondContact O-N 3.38Å; L650-A653 PolarHBondContact O-N 3.23Å; L650-G654 PolarHBondContact O-N 2.63Å; L650-L657 HydrophobicContact CD2-CD2 4.33Å |
| 651 | L | 84.4 | Confident | 80.2 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 174.6 | -76.4 | 169.1 | 0 | 0 | 0 | 111.9 | I647 Q648 G654 L673 M677 M697 Y701 | I647-L651 HydrophobicContact CG2-CD1 4.28Å; I647-L651 WeakPolarHBondContact O-CG 3.39Å; I647-L651 PolarHBondContact O-N 3.46Å; Q648-L651 PolarHBondContact O-N 2.97Å; L651-G654 PolarHBondContact O-N 2.88Å; L651-L673 HydrophobicContact CD2-CB 4.12Å; L651-L673 HydrophobicContact CD2-CD1 4Å; L651-L673 HydrophobicContact CD2-CD2 3.97Å; L651-L673 HydrophobicContact CD2-CG 4.24Å; L651-L673 HydrophobicContact CG-CD1 4.49Å; L651-L673 HydrophobicContact CG-CD2 4.06Å; L651-M677 HydrophobicContact CD1-CE 4.01Å; L651-M677 HydrophobicContact CD2-CE 3.27Å; L651-M677 HydrophobicContact CG-CE 4.31Å; L651-M697 HydrophobicContact CD1-CE 4.42Å; L651-Y701 HydrophobicContact CD2-CD2 3.79Å; L651-Y701 HydrophobicContact CD2-CE2 3.89Å; L651-Y701 HydrophobicContact CD2-CG 4.2Å; L651-Y701 WeakPolarHBondContact O-CE2 3.41Å |
| 652 | Q | 84.4 | Confident | 80.5 | Confident | 161 Ų | 161 | 57 Ų | 57 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.5 | -33.6 | 177.1 | -69.2 | 174.3 | 10.5 | 0 | 0 | 112.7 | Q648 S649 G654 | Q648-Q652 WeakPolarHBondContact O-CG 3.49Å; Q648-Q652 PolarHBondContact O-N 3.43Å; S649-Q652 PolarHBondContact O-N 3.03Å; Q652-G654 VanDerWaalsContact C-N 3.27Å; Q652-G654 PolarHBondContact O-N 3.38Å |
| 653 | A | 81.2 | Confident | 80.8 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 24% | 0.24 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -78.6 | -6.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S649 L650 S655 R656 L657 | S649-A653 VanDerWaalsContact O-CB 3.29Å; S649-A653 WeakPolarHBondContact O-CB 3.45Å; S649-A653 PolarHBondContact O-N 3.18Å; L650-A653 PolarHBondContact O-N 3.23Å; A653-S655 VanDerWaalsContact C-N 3.34Å; A653-S655 PolarHBondContact O-N 3.4Å; A653-R656 WeakPolarHBondContact O-CA 3.31Å; A653-R656 WeakPolarHBondContact O-CB 3.46Å; A653-R656 PolarHBondContact O-N 2.96Å; A653-L657 HydrophobicContact CB-CD2 4.3Å; A653-L657 PolarHBondContact O-N 3.24Å |
| 654 | G | 78.4 | Confident | 81 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -43.8 | -47.3 | -167 | 0 | 0 | 0 | 0 | 0 | 116.3 | L650 L651 Q652 R656 L657 H670 L705 | L650-G654 PolarHBondContact O-N 2.63Å; L651-G654 PolarHBondContact O-N 2.88Å; Q652-G654 VanDerWaalsContact C-N 3.27Å; Q652-G654 PolarHBondContact O-N 3.38Å; G654-R656 VanDerWaalsContact C-N 3.25Å; G654-R656 PolarHBondContact O-N 3.34Å; G654-L657 PolarHBondContact O-N 3.37Å; G654-H670 PolarHBondContact O-CE1 3.26Å; G654-L705 VanDerWaalsContact C-CD2 3.44Å |
| 655 | S | 75.6 | Confident | 81.3 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 60% | 0.601 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -71.3 | -17.1 | -178.6 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | A653 | A653-S655 VanDerWaalsContact C-N 3.34Å; A653-S655 PolarHBondContact O-N 3.4Å |
| 656 | R | 78.7 | Confident | 81.5 | Confident | 178 Ų | 178 | 61.4 Ų | 61.4 | 67% | 0.672 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -95 | -18.5 | -178.9 | -58 | -179.8 | -175.6 | 178.4 | 1.4 | 113 | A653 G654 G658 A659 | A653-R656 WeakPolarHBondContact O-CA 3.31Å; A653-R656 WeakPolarHBondContact O-CB 3.46Å; A653-R656 PolarHBondContact O-N 2.96Å; G654-R656 VanDerWaalsContact C-N 3.25Å; G654-R656 PolarHBondContact O-N 3.34Å; R656-G658 VanDerWaalsContact C-N 3.28Å; R656-G658 PolarHBondContact O-N 3.25Å; R656-A659 PolarHBondContact O-N 2.77Å; R656-A659 VanDerWaalsContact O-N 3.15Å |
| 657 | L | 77.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -58.3 | -38.3 | -176.8 | -64.6 | 176.7 | 0 | 0 | 0 | 112.6 | L650 A653 G654 A659 Q660 L661 V669 | L650-L657 HydrophobicContact CD2-CD2 4.33Å; A653-L657 HydrophobicContact CB-CD2 4.3Å; A653-L657 PolarHBondContact O-N 3.24Å; G654-L657 PolarHBondContact O-N 3.37Å; L657-A659 PolarHBondContact O-N 3.2Å; L657-Q660 PolarHBondContact O-N 2.85Å; L657-L661 HydrophobicContact CB-CD1 4.48Å; L657-L661 HydrophobicContact CD2-CD1 4.05Å; L657-L661 PolarHBondContact O-N 2.85Å; L657-V669 HydrophobicContact CD1-CG1 3.96Å |
| 658 | G | 71.9 | Confident | 82.1 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -65 | -19.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R656 | R656-G658 VanDerWaalsContact C-N 3.28Å; R656-G658 PolarHBondContact O-N 3.25Å |
| 659 | A | 73.6 | Confident | 82.3 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 79% | 0.793 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -90 | -12 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | R656 L657 | R656-A659 PolarHBondContact O-N 2.77Å; R656-A659 VanDerWaalsContact O-N 3.15Å; L657-A659 PolarHBondContact O-N 3.2Å |
| 660 | Q | 75.8 | Confident | 82.7 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -25.7 | -165.5 | -65.1 | 176.9 | -36.6 | 0 | 0 | 113.3 | C610 L657 | C610-Q660 HydrophobicContact CB-CB 4.27Å; C610-Q660 HydrophobicContact CB-CG 4.26Å; C610-Q660 PolarHBondContact SG-OE1 2.84Å; L657-Q660 PolarHBondContact O-N 2.85Å |
| 661 | L | 82.8 | Confident | 83 | Confident | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -117 | 154.2 | -178.8 | -64.7 | 173.9 | 0 | 0 | 0 | 111.3 | F608 L657 V665 | F608-L661 HydrophobicContact CD1-CD1 4.25Å; L657-L661 HydrophobicContact CB-CD1 4.48Å; L657-L661 HydrophobicContact CD2-CD1 4.05Å; L657-L661 PolarHBondContact O-N 2.85Å; L661-V665 HydrophobicContact CB-CB 4.42Å; L661-V665 HydrophobicContact CB-CG1 4.27Å; L661-V665 HydrophobicContact CD1-CG1 4.12Å; L661-V665 HydrophobicContact CD2-CG1 4.41Å |
| 662 | P | 85.3 | Confident | 83.3 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | trans | -54.9 | 148.1 | 169.4 | -22.3 | 31.9 | 0 | 0 | 0 | 111.7 | P619 Q664 V665 C666 | P619-P662 HydrophobicContact CB-CG 4.2Å; P662-Q664 VanDerWaalsContact C-N 3.32Å; P662-Q664 PolarHBondContact O-N 3.4Å; P662-V665 HydrophobicContact CB-CB 4.43Å; P662-V665 HydrophobicContact CB-CG2 3.97Å; P662-V665 HydrophobicContact CG-CG2 4.02Å; P662-V665 WeakPolarHBondContact O-CB 3.02Å; P662-V665 PolarHBondContact O-N 3.47Å; P662-V665 VanDerWaalsContact O-N 3.16Å; P662-C666 PolarHBondContact O-N 2.82Å | ||
| 663 | R | 83.6 | Confident | 83.6 | Confident | 181 Ų | 181 | 44.2 Ų | 44.2 | 68% | 0.683 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -52.8 | -45.7 | -174.1 | -177 | 178 | 176.6 | -173.8 | -2.7 | 113 | C666 I667 | R663-C666 PolarHBondContact O-N 3.01Å; R663-I667 HydrophobicContact CG-CD1 3.96Å; R663-I667 VanDerWaalsContact O-CG1 3.3Å; R663-I667 WeakPolarHBondContact O-CG1 3.42Å; R663-I667 PolarHBondContact O-N 3.38Å |
| 664 | Q | 85.2 | Confident | 84.1 | Confident | 87 Ų | 87 | 42.9 Ų | 42.9 | 41% | 0.407 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.5 | -41.6 | -178.3 | -170.5 | 58.9 | 36.2 | 0 | 0 | 112.6 | P662 C666 I667 N668 | P662-Q664 VanDerWaalsContact C-N 3.32Å; P662-Q664 PolarHBondContact O-N 3.4Å; Q664-C666 VanDerWaalsContact C-N 3.31Å; Q664-C666 PolarHBondContact O-N 3.26Å; Q664-I667 PolarHBondContact O-N 3Å; Q664-N668 PolarHBondContact NE2-OD1 3.35Å; Q664-N668 VanDerWaalsContact NE2-OD1 3.1Å; Q664-N668 WeakPolarHBondContact O-CB 3.45Å; Q664-N668 PolarHBondContact O-N 3.27Å |
| 665 | V | 87.8 | Confident | 84.6 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.1 | -47.3 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 110 | F608 Q622 Q623 L661 P662 I667 N668 V669 | F608-V665 HydrophobicContact CD1-CG1 4.39Å; F608-V665 HydrophobicContact CE1-CG1 3.87Å; Q622-V665 HydrophobicContact CB-CG1 4.17Å; Q622-V665 HydrophobicContact CB-CG2 4.11Å; Q623-V665 HydrophobicContact CB-CG2 4.31Å; L661-V665 HydrophobicContact CB-CB 4.42Å; L661-V665 HydrophobicContact CB-CG1 4.27Å; L661-V665 HydrophobicContact CD1-CG1 4.12Å; L661-V665 HydrophobicContact CD2-CG1 4.41Å; P662-V665 HydrophobicContact CB-CB 4.43Å; P662-V665 HydrophobicContact CB-CG2 3.97Å; P662-V665 HydrophobicContact CG-CG2 4.02Å; P662-V665 WeakPolarHBondContact O-CB 3.02Å; P662-V665 PolarHBondContact O-N 3.47Å; P662-V665 VanDerWaalsContact O-N 3.16Å; V665-I667 PolarHBondContact O-N 2.97Å; V665-N668 PolarHBondContact O-N 3.4Å; V665-V669 VanDerWaalsContact O-CG2 3.3Å; V665-V669 WeakPolarHBondContact O-CG2 3.39Å; V665-V669 PolarHBondContact O-N 3.24Å |
| 666 | C | 87.7 | Confident | 85.1 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 178.1 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | P662 R663 Q664 N668 V669 H670 | P662-C666 PolarHBondContact O-N 2.82Å; R663-C666 PolarHBondContact O-N 3.01Å; Q664-C666 VanDerWaalsContact C-N 3.31Å; Q664-C666 PolarHBondContact O-N 3.26Å; C666-N668 PolarHBondContact O-N 2.72Å; C666-V669 PolarHBondContact O-N 3.19Å; C666-H670 PolarHBondContact O-CD2 3.1Å; C666-H670 PolarHBondContact O-N 3.18Å; C666-H670 VanDerWaalsContact SG-CD2 3.59Å; C666-H670 PolarHBondContact SG-NE2 3.25Å |
| 667 | I | 87.8 | Confident | 85.6 | Confident | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 175.5 | -69.8 | 165.2 | 0 | 0 | 0 | 110.8 | R663 Q664 V665 V669 H670 I671 T732 A735 | R663-I667 HydrophobicContact CG-CD1 3.96Å; R663-I667 VanDerWaalsContact O-CG1 3.3Å; R663-I667 WeakPolarHBondContact O-CG1 3.42Å; R663-I667 PolarHBondContact O-N 3.38Å; Q664-I667 PolarHBondContact O-N 3Å; V665-I667 PolarHBondContact O-N 2.97Å; I667-V669 VanDerWaalsContact C-N 3.34Å; I667-V669 PolarHBondContact O-N 3.26Å; I667-H670 PolarHBondContact O-N 3.21Å; I667-I671 HydrophobicContact CG2-CD1 3.63Å; I667-I671 HydrophobicContact CG2-CG1 4.27Å; I667-I671 VanDerWaalsContact O-CG1 3.3Å; I667-I671 WeakPolarHBondContact O-CG1 3.11Å; I667-I671 PolarHBondContact O-N 3.47Å; I667-T732 HydrophobicContact CG1-CG2 4.26Å; I667-A735 HydrophobicContact CD1-CB 4.1Å; I667-A735 HydrophobicContact CG2-CB 3.91Å |
| 668 | N | 89.8 | Confident | 86.1 | Confident | 9 Ų | 9 | 30.4 Ų | 30.4 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 178.8 | -76.7 | -3.5 | 0 | 0 | 0 | 111.9 | S626 Q664 V665 C666 I671 S672 | S626-N668 PolarHBondContact OG-ND2 3.14Å; Q664-N668 PolarHBondContact NE2-OD1 3.35Å; Q664-N668 VanDerWaalsContact NE2-OD1 3.1Å; Q664-N668 WeakPolarHBondContact O-CB 3.45Å; Q664-N668 PolarHBondContact O-N 3.27Å; V665-N668 PolarHBondContact O-N 3.4Å; C666-N668 PolarHBondContact O-N 2.72Å; N668-I671 PolarHBondContact O-N 3.01Å; N668-S672 WeakPolarHBondContact O-CB 3.42Å; N668-S672 PolarHBondContact O-N 2.88Å; N668-S672 PolarHBondContact O-OG 3.07Å |
| 669 | V | 90 | Very high | 86.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | F608 L629 L657 V665 C666 I667 I671 S672 L673 | F608-V669 HydrophobicContact CE1-CG2 4.14Å; F608-V669 HydrophobicContact CZ-CG2 4.17Å; L629-V669 HydrophobicContact CD2-CG2 4.26Å; L657-V669 HydrophobicContact CD1-CG1 3.96Å; V665-V669 VanDerWaalsContact O-CG2 3.3Å; V665-V669 WeakPolarHBondContact O-CG2 3.39Å; V665-V669 PolarHBondContact O-N 3.24Å; C666-V669 PolarHBondContact O-N 3.19Å; I667-V669 VanDerWaalsContact C-N 3.34Å; I667-V669 PolarHBondContact O-N 3.26Å; V669-I671 PolarHBondContact O-N 2.91Å; V669-S672 WeakPolarHBondContact O-CB 3.32Å; V669-S672 PolarHBondContact O-N 2.94Å; V669-L673 HydrophobicContact CG1-CD1 3.95Å; V669-L673 HydrophobicContact CG1-CG 4.43Å; V669-L673 WeakPolarHBondContact O-CG 3.43Å; V669-L673 PolarHBondContact O-N 3.26Å |
| 670 | H | 90.4 | Very high | 87.6 | Confident | 11 Ų | 11 | 26.7 Ų | 26.7 | 5% | 0.051 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.5 | -69.7 | -52.8 | 0 | 0 | 0 | 112.3 | G654 C666 I667 S672 L673 V674 Y701 L736 | G654-H670 PolarHBondContact O-CE1 3.26Å; C666-H670 PolarHBondContact O-CD2 3.1Å; C666-H670 PolarHBondContact O-N 3.18Å; C666-H670 VanDerWaalsContact SG-CD2 3.59Å; C666-H670 PolarHBondContact SG-NE2 3.25Å; I667-H670 PolarHBondContact O-N 3.21Å; H670-S672 VanDerWaalsContact C-N 3.3Å; H670-S672 PolarHBondContact O-N 2.7Å; H670-L673 PolarHBondContact O-N 3.14Å; H670-V674 WeakPolarHBondContact O-CB 3.28Å; H670-V674 WeakPolarHBondContact O-CG2 3.29Å; H670-V674 PolarHBondContact O-N 2.72Å; H670-Y701 PolarHBondContact CE1-OH 3.39Å; H670-Y701 AromaticContact ND1-CZ 3.82Å; H670-Y701 PolarHBondContact ND1-OH 3.2Å; H670-L736 HydrophobicContact CB-CD1 3.95Å |
| 671 | I | 90.8 | Very high | 88 | Confident | 8 Ų | 8 | 22.6 Ų | 22.6 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.9 | -67.2 | 168.4 | 0 | 0 | 0 | 110.2 | L630 I667 N668 V669 S675 L736 Y739 | L630-I671 HydrophobicContact CD1-CB 3.98Å; L630-I671 HydrophobicContact CD1-CG2 3.37Å; I667-I671 HydrophobicContact CG2-CD1 3.63Å; I667-I671 HydrophobicContact CG2-CG1 4.27Å; I667-I671 VanDerWaalsContact O-CG1 3.3Å; I667-I671 WeakPolarHBondContact O-CG1 3.11Å; I667-I671 PolarHBondContact O-N 3.47Å; N668-I671 PolarHBondContact O-N 3.01Å; V669-I671 PolarHBondContact O-N 2.91Å; I671-S675 WeakPolarHBondContact O-CA 3.43Å; I671-S675 WeakPolarHBondContact O-CB 3.27Å; I671-S675 PolarHBondContact O-N 2.94Å; I671-S675 PolarHBondContact O-OG 3.47Å; I671-L736 HydrophobicContact CG1-CB 4.33Å; I671-L736 HydrophobicContact CG1-CG 4.32Å; I671-Y739 HydrophobicContact CD1-CD2 4.13Å; I671-Y739 HydrophobicContact CD1-CG 4.1Å; I671-Y739 HydrophobicContact CG1-CG 4.46Å; I671-Y739 HydrophobicContact CG2-CD1 3.26Å; I671-Y739 HydrophobicContact CG2-CD2 3.91Å; I671-Y739 HydrophobicContact CG2-CE1 3.56Å; I671-Y739 HydrophobicContact CG2-CE2 4.16Å; I671-Y739 HydrophobicContact CG2-CG 3.46Å; I671-Y739 VanDerWaalsContact CG2-CG 3.46Å |
| 672 | S | 90.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.3 | -51.3 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | L630 S633 N668 V669 H670 S675 Y676 | L630-S672 WeakPolarHBondContact CA-OG 3.48Å; L630-S672 WeakPolarHBondContact CB-OG 3.42Å; L630-S672 PolarHBondContact N-OG 3.19Å; L630-S672 VanDerWaalsContact N-OG 3.16Å; S633-S672 WeakPolarHBondContact CB-O 3.47Å; N668-S672 WeakPolarHBondContact O-CB 3.42Å; N668-S672 PolarHBondContact O-N 2.88Å; N668-S672 PolarHBondContact O-OG 3.07Å; V669-S672 WeakPolarHBondContact O-CB 3.32Å; V669-S672 PolarHBondContact O-N 2.94Å; H670-S672 VanDerWaalsContact C-N 3.3Å; H670-S672 PolarHBondContact O-N 2.7Å; S672-S675 PolarHBondContact O-N 3.03Å; S672-Y676 WeakPolarHBondContact O-CB 3.22Å; S672-Y676 PolarHBondContact O-N 3Å |
| 673 | L | 90.3 | Very high | 87.3 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | -178.7 | -65.6 | 172.1 | 0 | 0 | 0 | 111.6 | I647 L651 V669 H670 M677 Y701 | I647-L673 HydrophobicContact CG2-CD2 3.92Å; L651-L673 HydrophobicContact CD2-CB 4.12Å; L651-L673 HydrophobicContact CD2-CD1 4Å; L651-L673 HydrophobicContact CD2-CD2 3.97Å; L651-L673 HydrophobicContact CD2-CG 4.24Å; L651-L673 HydrophobicContact CG-CD1 4.49Å; L651-L673 HydrophobicContact CG-CD2 4.06Å; V669-L673 HydrophobicContact CG1-CD1 3.95Å; V669-L673 HydrophobicContact CG1-CG 4.43Å; V669-L673 WeakPolarHBondContact O-CG 3.43Å; V669-L673 PolarHBondContact O-N 3.26Å; H670-L673 PolarHBondContact O-N 3.14Å; L673-M677 WeakPolarHBondContact O-CG 3.4Å; L673-M677 PolarHBondContact O-N 3.01Å; L673-Y701 HydrophobicContact CD1-CE2 4.44Å; L673-Y701 WeakPolarHBondContact CD1-OH 3.44Å |
| 674 | V | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | H670 Y676 M677 V678 L698 Y701 L736 F740 L751 | H670-V674 WeakPolarHBondContact O-CB 3.28Å; H670-V674 WeakPolarHBondContact O-CG2 3.29Å; H670-V674 PolarHBondContact O-N 2.72Å; V674-Y676 PolarHBondContact O-N 2.84Å; V674-M677 PolarHBondContact O-N 3.21Å; V674-M677 VanDerWaalsContact O-N 3.1Å; V674-V678 HydrophobicContact CG1-CG2 3.85Å; V674-V678 VanDerWaalsContact O-CB 3.3Å; V674-V678 WeakPolarHBondContact O-CB 3.42Å; V674-V678 VanDerWaalsContact O-CG2 3.26Å; V674-V678 WeakPolarHBondContact O-CG2 3.39Å; V674-V678 PolarHBondContact O-N 2.86Å; V674-L698 HydrophobicContact CB-CD1 4.43Å; V674-L698 HydrophobicContact CG1-CD1 3.88Å; V674-L698 HydrophobicContact CG2-CD1 4.08Å; V674-Y701 HydrophobicContact CG2-CD1 4.45Å; V674-Y701 HydrophobicContact CG2-CE1 4.37Å; V674-L736 HydrophobicContact CG1-CD2 4.3Å; V674-L736 HydrophobicContact CG2-CD1 3.98Å; V674-F740 HydrophobicContact CB-CE2 4.44Å; V674-F740 HydrophobicContact CB-CZ 4.24Å; V674-F740 HydrophobicContact CG1-CE2 3.85Å; V674-F740 HydrophobicContact CG1-CZ 3.73Å; V674-L751 HydrophobicContact CG1-CD2 3.83Å |
| 675 | S | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.6 | -42.1 | 178.9 | -68.3 | 0 | 0 | 0 | 0 | 111 | I671 S672 M677 V678 L679 F740 | I671-S675 WeakPolarHBondContact O-CA 3.43Å; I671-S675 WeakPolarHBondContact O-CB 3.27Å; I671-S675 PolarHBondContact O-N 2.94Å; I671-S675 PolarHBondContact O-OG 3.47Å; S672-S675 PolarHBondContact O-N 3.03Å; S675-M677 PolarHBondContact O-N 3.35Å; S675-V678 PolarHBondContact O-N 3.44Å; S675-L679 WeakPolarHBondContact O-CB 3.39Å; S675-L679 VanDerWaalsContact O-CG 3.24Å; S675-L679 WeakPolarHBondContact O-CG 3.49Å; S675-L679 PolarHBondContact O-N 3.24Å; S675-F740 VanDerWaalsContact OG-CZ 3.23Å; S675-F740 WeakPolarHBondContact OG-CZ 3.3Å |
| 676 | Y | 86.2 | Confident | 86.8 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.2 | -34.6 | 179.2 | -175.2 | -120.6 | 0 | 0 | 0 | 113.5 | P638 K639 L641 L642 S672 V674 W681 | P638-Y676 WeakPolarHBondContact O-CE2 3.48Å; P638-Y676 VanDerWaalsContact O-CZ 3.28Å; P638-Y676 PolarHBondContact O-OH 3.25Å; K639-Y676 VanDerWaalsContact C-OH 3.28Å; K639-Y676 PolarHBondContact O-OH 3.36Å; L641-Y676 HydrophobicContact CB-CE1 3.74Å; L641-Y676 HydrophobicContact CB-CE2 3.99Å; L641-Y676 VanDerWaalsContact CB-CZ 3.49Å; L641-Y676 WeakPolarHBondContact CB-OH 3.36Å; L641-Y676 HydrophobicContact CD2-CD1 3.42Å; L641-Y676 VanDerWaalsContact CD2-CD1 3.42Å; L641-Y676 HydrophobicContact CD2-CD2 4.29Å; L641-Y676 HydrophobicContact CD2-CE1 3.39Å; L641-Y676 HydrophobicContact CD2-CE2 4.36Å; L641-Y676 HydrophobicContact CD2-CG 3.87Å; L641-Y676 HydrophobicContact CG-CE1 4.12Å; L641-Y676 PolarHBondContact N-OH 2.99Å; L641-Y676 VanDerWaalsContact N-OH 3.13Å; L642-Y676 HydrophobicContact CB-CE1 4Å; L642-Y676 HydrophobicContact CD1-CE1 4.38Å; L642-Y676 HydrophobicContact CD2-CD1 3.51Å; L642-Y676 HydrophobicContact CD2-CE1 3.34Å; L642-Y676 HydrophobicContact CG-CD1 3.92Å; L642-Y676 HydrophobicContact CG-CE1 3.23Å; L642-Y676 VanDerWaalsContact N-CE1 3.35Å; L642-Y676 PolarHBondContact N-OH 3.28Å; S672-Y676 WeakPolarHBondContact O-CB 3.22Å; S672-Y676 PolarHBondContact O-N 3Å; V674-Y676 PolarHBondContact O-N 2.84Å; Y676-W681 AromaticContact CD2-NE1 3.96Å; Y676-W681 AromaticContact CE2-CD1 3.58Å; Y676-W681 AromaticContact CE2-NE1 3.27Å; Y676-W681 VanDerWaalsContact CE2-NE1 3.27Å; Y676-W681 AromaticContact CZ-NE1 3.49Å |
| 677 | M | 88.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.2 | -23.2 | 174.3 | -65.8 | -176.2 | -162.4 | 0 | 0 | 113.8 | L651 L673 V674 S675 R694 M697 L698 M750 | L651-M677 HydrophobicContact CD1-CE 4.01Å; L651-M677 HydrophobicContact CD2-CE 3.27Å; L651-M677 HydrophobicContact CG-CE 4.31Å; L673-M677 WeakPolarHBondContact O-CG 3.4Å; L673-M677 PolarHBondContact O-N 3.01Å; V674-M677 PolarHBondContact O-N 3.21Å; V674-M677 VanDerWaalsContact O-N 3.1Å; S675-M677 PolarHBondContact O-N 3.35Å; M677-R694 PolarHBondContact O-NE 2.83Å; M677-R694 PolarHBondContact O-NH2 3.45Å; M677-M697 HydrophobicContact CE-CB 4.36Å; M677-M697 HydrophobicContact SD-CB 4.02Å; M677-L698 HydrophobicContact CB-CB 4.4Å; M677-L698 VanDerWaalsContact SD-CA 3.53Å; M677-L698 HydrophobicContact SD-CB 3.97Å; M677-L698 HydrophobicContact SD-CD1 4.37Å; M677-L698 PolarHBondContact SD-N 2.63Å; M677-M750 WeakPolarHBondContact O-CE 3.31Å |
| 678 | V | 89.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -103.9 | -36.9 | -171 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | V674 S675 R694 L698 F740 A747 L751 | V674-V678 HydrophobicContact CG1-CG2 3.85Å; V674-V678 VanDerWaalsContact O-CB 3.3Å; V674-V678 WeakPolarHBondContact O-CB 3.42Å; V674-V678 VanDerWaalsContact O-CG2 3.26Å; V674-V678 WeakPolarHBondContact O-CG2 3.39Å; V674-V678 PolarHBondContact O-N 2.86Å; S675-V678 PolarHBondContact O-N 3.44Å; V678-R694 PolarHBondContact O-NH2 2.98Å; V678-L698 HydrophobicContact CG2-CD1 4.18Å; V678-L698 HydrophobicContact CG2-CD2 3.66Å; V678-F740 HydrophobicContact CG1-CE1 4.44Å; V678-A747 VanDerWaalsContact CG1-CA 3.46Å; V678-A747 HydrophobicContact CG1-CB 3.32Å; V678-A747 WeakPolarHBondContact CG1-O 3.49Å; V678-L751 HydrophobicContact CG1-CD1 4.15Å; V678-L751 HydrophobicContact CG1-CG 4.06Å; V678-L751 HydrophobicContact CG2-CD2 3.95Å; V678-L751 HydrophobicContact CG2-CG 4.19Å |
| 679 | L | 88.8 | Confident | 86 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -82.5 | 144.1 | -178.2 | -61 | 175 | 0 | 0 | 0 | 112.2 | T634 S675 R694 T743 | T634-L679 HydrophobicContact CG2-CD1 4.4Å; S675-L679 WeakPolarHBondContact O-CB 3.39Å; S675-L679 VanDerWaalsContact O-CG 3.24Å; S675-L679 WeakPolarHBondContact O-CG 3.49Å; S675-L679 PolarHBondContact O-N 3.24Å; L679-R694 VanDerWaalsContact C-NH2 3.35Å; L679-R694 VanDerWaalsContact O-CZ 3.3Å; L679-R694 PolarHBondContact O-NH1 3.34Å; L679-R694 PolarHBondContact O-NH2 3.23Å; L679-T743 HydrophobicContact CD2-CG2 3.92Å |
| 680 | P | 86.5 | Confident | 85.8 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 34% | 0.338 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -63.6 | 139.2 | 176.9 | 23.6 | -30.2 | 0 | 0 | 0 | 110.9 | R637 | R637-P680 WeakPolarHBondContact CD-O 3.38Å; R637-P680 PolarHBondContact NH1-O 3.49Å |
| 681 | W | 86.2 | Confident | 85.7 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 138.8 | 173.2 | -60.7 | -38 | 0 | 0 | 0 | 110.5 | K639 L642 Y676 V684 Q688 Q689 E690 R694 | K639-W681 HydrophobicContact CB-CD2 4.47Å; K639-W681 HydrophobicContact CB-CE3 4.42Å; K639-W681 HydrophobicContact CD-CE3 4.24Å; K639-W681 HydrophobicContact CD-CZ3 4.21Å; K639-W681 HydrophobicContact CG-CD2 4.25Å; K639-W681 HydrophobicContact CG-CE3 3.83Å; K639-W681 HydrophobicContact CG-CH2 4.33Å; K639-W681 HydrophobicContact CG-CZ3 3.88Å; L642-W681 HydrophobicContact CD1-CZ2 4.16Å; Y676-W681 AromaticContact CD2-NE1 3.96Å; Y676-W681 AromaticContact CE2-CD1 3.58Å; Y676-W681 AromaticContact CE2-NE1 3.27Å; Y676-W681 VanDerWaalsContact CE2-NE1 3.27Å; Y676-W681 AromaticContact CZ-NE1 3.49Å; W681-V684 HydrophobicContact CB-CB 4.19Å; W681-V684 HydrophobicContact CB-CG2 3.99Å; W681-V684 HydrophobicContact CE3-CG1 4.38Å; W681-Q688 WeakPolarHBondContact CZ3-O 3.49Å; W681-Q689 PolarHBondContact O-NE2 2.89Å; W681-E690 HydrophobicContact CH2-CB 4.43Å; W681-R694 HydrophobicContact CZ2-CG 4.35Å |
| 682 | K | 77.9 | Confident | 85.5 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 143.8 | 178.4 | -78.5 | -170.5 | 170.1 | 173.5 | 0 | 110.2 | V635 R637 V684 | V635-K682 WeakPolarHBondContact O-CD 3.23Å; V635-K682 WeakPolarHBondContact O-CE 3.44Å; V635-K682 PolarHBondContact O-NZ 3.14Å; R637-K682 HydrophobicContact CB-CG 4.41Å; R637-K682 VanDerWaalsContact NH2-CE 3.27Å; K682-V684 PolarHBondContact O-N 3.44Å; K682-V684 VanDerWaalsContact O-N 3.14Å |
| 683 | S | 75.2 | Confident | 85.5 | Confident | 134 Ų | 134 | 59.8 Ų | 59.8 | 94% | 0.937 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 19.5 | 175.6 | -48.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 684 | V | 82.2 | Confident | 85.5 | Confident | 28 Ų | 28 | 59.7 Ų | 59.7 | 17% | 0.17 | 31% | 0.307 | C | S | . | . | trans | -114.8 | 127.8 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | K639 W681 K682 Q688 Q689 | K639-V684 HydrophobicContact CB-CG2 4.34Å; K639-V684 HydrophobicContact CD-CG2 4.34Å; W681-V684 HydrophobicContact CB-CB 4.19Å; W681-V684 HydrophobicContact CB-CG2 3.99Å; W681-V684 HydrophobicContact CE3-CG1 4.38Å; K682-V684 PolarHBondContact O-N 3.44Å; K682-V684 VanDerWaalsContact O-N 3.14Å; V684-Q688 HydrophobicContact CG1-CB 3.63Å; V684-Q689 PolarHBondContact O-NE2 3.28Å | ||
| 685 | P | 83.7 | Confident | 85.4 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | trans | -58.2 | 149.1 | 177.4 | -23.3 | 32.8 | 0 | 0 | 0 | 113 | Q687 Q688 | P685-Q687 PolarHBondContact O-N 3.48Å; P685-Q687 VanDerWaalsContact O-N 3.1Å; P685-Q688 PolarHBondContact O-N 3.43Å | ||
| 686 | E | 80 | Confident | 85.5 | Confident | 165 Ų | 165 | 69.1 Ų | 69.1 | 77% | 0.771 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -52.9 | -36.7 | -177.2 | -70.9 | -170.9 | 163.1 | 0 | 0 | 113.9 | Q688 Q689 | E686-Q688 PolarHBondContact O-N 3.31Å; E686-Q689 WeakPolarHBondContact O-CB 3.37Å; E686-Q689 PolarHBondContact O-N 2.96Å |
| 687 | Q | 79.9 | Confident | 85.6 | Confident | 188 Ų | 188 | 70.7 Ų | 70.7 | 88% | 0.879 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -63.8 | -26 | 178.9 | -64.3 | 178 | -6.3 | 0 | 0 | 113.3 | P685 | P685-Q687 PolarHBondContact O-N 3.48Å; P685-Q687 VanDerWaalsContact O-N 3.1Å |
| 688 | Q | 83.2 | Confident | 85.8 | Confident | 102 Ų | 102 | 70.5 Ų | 70.5 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -102.1 | 8.4 | -177.2 | -62.8 | -179.1 | 7.8 | 0 | 0 | 112.8 | W681 V684 P685 E686 E690 | W681-Q688 WeakPolarHBondContact CZ3-O 3.49Å; V684-Q688 HydrophobicContact CG1-CB 3.63Å; P685-Q688 PolarHBondContact O-N 3.43Å; E686-Q688 PolarHBondContact O-N 3.31Å; Q688-E690 VanDerWaalsContact C-N 3.26Å; Q688-E690 PolarHBondContact O-N 3.34Å |
| 689 | Q | 84.4 | Confident | 85.9 | Confident | 5 Ų | 5 | 75.8 Ų | 75.8 | 2% | 0.023 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -75 | -13.2 | 179.2 | -69.7 | -72.2 | -18.9 | 0 | 0 | 113.4 | W681 V684 E686 Y691 R694 | W681-Q689 PolarHBondContact O-NE2 2.89Å; V684-Q689 PolarHBondContact O-NE2 3.28Å; E686-Q689 WeakPolarHBondContact O-CB 3.37Å; E686-Q689 PolarHBondContact O-N 2.96Å; Q689-Y691 VanDerWaalsContact C-N 3.25Å; Q689-Y691 HydrophobicContact CB-CD2 3.83Å; Q689-Y691 HydrophobicContact CB-CE1 4.38Å; Q689-Y691 HydrophobicContact CB-CE2 3.47Å; Q689-Y691 VanDerWaalsContact CB-CE2 3.47Å; Q689-Y691 HydrophobicContact CB-CG 4.43Å; Q689-Y691 HydrophobicContact CG-CE2 4.02Å; Q689-Y691 PolarHBondContact O-N 2.91Å; Q689-Y691 VanDerWaalsContact O-N 3.14Å; Q689-R694 WeakPolarHBondContact O-CD 3.32Å |
| 690 | E | 85.9 | Confident | 86 | Confident | 73 Ų | 73 | 79.4 Ų | 79.4 | 34% | 0.341 | 39% | 0.388 | S | S | . | . | trans | 50.7 | 38 | 176.1 | -64.4 | -177.2 | -158.9 | 0 | 0 | 114.5 | W681 Q688 P692 R693 R694 | W681-E690 HydrophobicContact CH2-CB 4.43Å; Q688-E690 VanDerWaalsContact C-N 3.26Å; Q688-E690 PolarHBondContact O-N 3.34Å; E690-P692 VanDerWaalsContact C-N 3.33Å; E690-P692 VanDerWaalsContact O-N 3.16Å; E690-R693 HydrophobicContact CB-CB 4.43Å; E690-R693 PolarHBondContact O-N 3.36Å; E690-R693 VanDerWaalsContact O-N 3.12Å; E690-R693 WeakPolarHBondContact OE2-CD 3.42Å; E690-R693 IonicContact OE2-CZ 2.67Å; E690-R693 IonicContact OE2-NH1 3.33Å; E690-R693 PolarHBondContact OE2-NH1 3.45Å; E690-R694 PolarHBondContact O-N 3.07Å; E690-R694 VanDerWaalsContact O-N 3.14Å | ||
| 691 | Y | 87.7 | Confident | 86.2 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 24% | 0.239 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -49.1 | -41.4 | -178.6 | -69.1 | -68.5 | 0 | 0 | 0 | 115 | Q689 R693 R694 L695 M750 | Q689-Y691 VanDerWaalsContact C-N 3.25Å; Q689-Y691 HydrophobicContact CB-CD2 3.83Å; Q689-Y691 HydrophobicContact CB-CE1 4.38Å; Q689-Y691 HydrophobicContact CB-CE2 3.47Å; Q689-Y691 VanDerWaalsContact CB-CE2 3.47Å; Q689-Y691 HydrophobicContact CB-CG 4.43Å; Q689-Y691 HydrophobicContact CG-CE2 4.02Å; Q689-Y691 PolarHBondContact O-N 2.91Å; Q689-Y691 VanDerWaalsContact O-N 3.14Å; Y691-R693 PolarHBondContact O-N 3.42Å; Y691-R694 PolarHBondContact O-N 2.96Å; Y691-L695 WeakPolarHBondContact O-CB 3.34Å; Y691-L695 PolarHBondContact O-N 3.42Å; Y691-M750 HydrophobicContact CD1-SD 4.02Å |
| 692 | P | 88.4 | Confident | 86.5 | Confident | 106 Ų | 106 | 77.5 Ų | 77.5 | 69% | 0.688 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 179.6 | -23.7 | 35.1 | 0 | 0 | 0 | 113.5 | E690 L695 W696 | E690-P692 VanDerWaalsContact C-N 3.33Å; E690-P692 VanDerWaalsContact O-N 3.16Å; P692-L695 PolarHBondContact O-N 3.48Å; P692-W696 PolarHBondContact O-N 3.17Å |
| 693 | R | 88.8 | Confident | 87.1 | Confident | 127 Ų | 127 | 78.3 Ų | 78.3 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 178.2 | -179.2 | -177.9 | 176 | -165.9 | -1.7 | 110.5 | E690 Y691 L695 W696 M697 | E690-R693 HydrophobicContact CB-CB 4.43Å; E690-R693 PolarHBondContact O-N 3.36Å; E690-R693 VanDerWaalsContact O-N 3.12Å; E690-R693 WeakPolarHBondContact OE2-CD 3.42Å; E690-R693 IonicContact OE2-CZ 2.67Å; E690-R693 IonicContact OE2-NH1 3.33Å; E690-R693 PolarHBondContact OE2-NH1 3.45Å; Y691-R693 PolarHBondContact O-N 3.42Å; R693-L695 PolarHBondContact O-N 2.99Å; R693-W696 WeakPolarHBondContact O-CB 3.42Å; R693-W696 PolarHBondContact O-N 3.32Å; R693-M697 HydrophobicContact CG-SD 4.42Å; R693-M697 WeakPolarHBondContact O-CG 3.44Å; R693-M697 PolarHBondContact O-N 3.26Å |
| 694 | R | 89.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 0% | 0.004 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 177.5 | -70.3 | 165.3 | 45.9 | 161.1 | -3.2 | 112.7 | L642 M677 V678 L679 W681 Q689 E690 Y691 W696 M697 L698 M750 | L642-R694 HydrophobicContact CD1-CG 4.5Å; M677-R694 PolarHBondContact O-NE 2.83Å; M677-R694 PolarHBondContact O-NH2 3.45Å; V678-R694 PolarHBondContact O-NH2 2.98Å; L679-R694 VanDerWaalsContact C-NH2 3.35Å; L679-R694 VanDerWaalsContact O-CZ 3.3Å; L679-R694 PolarHBondContact O-NH1 3.34Å; L679-R694 PolarHBondContact O-NH2 3.23Å; W681-R694 HydrophobicContact CZ2-CG 4.35Å; Q689-R694 WeakPolarHBondContact O-CD 3.32Å; E690-R694 PolarHBondContact O-N 3.07Å; E690-R694 VanDerWaalsContact O-N 3.14Å; Y691-R694 PolarHBondContact O-N 2.96Å; R694-W696 VanDerWaalsContact C-N 3.34Å; R694-M697 PolarHBondContact O-N 3.32Å; R694-L698 WeakPolarHBondContact O-CB 3.4Å; R694-L698 PolarHBondContact O-N 3.48Å; R694-M750 HydrophobicContact CB-CE 4.29Å |
| 695 | L | 90.8 | Very high | 88 | Confident | 40 Ų | 40 | 73.6 Ų | 73.6 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 174.6 | -179.1 | 58.4 | 0 | 0 | 0 | 111.5 | Y691 P692 R693 L698 R699 M750 | Y691-L695 WeakPolarHBondContact O-CB 3.34Å; Y691-L695 PolarHBondContact O-N 3.42Å; P692-L695 PolarHBondContact O-N 3.48Å; R693-L695 PolarHBondContact O-N 2.99Å; L695-L698 HydrophobicContact CD1-CD2 4.4Å; L695-L698 PolarHBondContact O-N 3.37Å; L695-R699 HydrophobicContact CD1-CG 4.45Å; L695-R699 WeakPolarHBondContact O-CG 3.32Å; L695-R699 PolarHBondContact O-N 3.43Å; L695-M750 HydrophobicContact CB-CE 3.95Å; L695-M750 HydrophobicContact CD1-CB 4.04Å; L695-M750 HydrophobicContact CD1-CE 4.27Å; L695-M750 HydrophobicContact CD1-CG 4.13Å |
| 696 | W | 90.9 | Very high | 88.4 | Confident | 158 Ų | 158 | 70 Ų | 70 | 60% | 0.598 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.5 | -49.1 | 174.5 | 178.2 | 79.9 | 0 | 0 | 0 | 111.3 | P692 R693 R694 L698 R699 E700 | P692-W696 PolarHBondContact O-N 3.17Å; R693-W696 WeakPolarHBondContact O-CB 3.42Å; R693-W696 PolarHBondContact O-N 3.32Å; R694-W696 VanDerWaalsContact C-N 3.34Å; W696-L698 VanDerWaalsContact C-N 3.31Å; W696-L698 PolarHBondContact O-N 3.48Å; W696-R699 PolarHBondContact O-N 2.83Å; W696-E700 HydrophobicContact CD2-CG 4.11Å; W696-E700 HydrophobicContact CH2-CG 4.16Å; W696-E700 HydrophobicContact CZ2-CG 3.69Å; W696-E700 WeakPolarHBondContact O-CG 3.4Å; W696-E700 PolarHBondContact O-N 3.2Å |
| 697 | M | 89 | Confident | 88.8 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 18% | 0.177 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.4 | -41 | 176.7 | -67.4 | 177.9 | 68.7 | 0 | 0 | 112.6 | L642 L651 M677 R693 R694 Y701 | L642-M697 HydrophobicContact CD1-CE 4.12Å; L642-M697 HydrophobicContact CD1-SD 3.92Å; L642-M697 HydrophobicContact CD2-CE 3.98Å; L651-M697 HydrophobicContact CD1-CE 4.42Å; M677-M697 HydrophobicContact CE-CB 4.36Å; M677-M697 HydrophobicContact SD-CB 4.02Å; R693-M697 HydrophobicContact CG-SD 4.42Å; R693-M697 WeakPolarHBondContact O-CG 3.44Å; R693-M697 PolarHBondContact O-N 3.26Å; R694-M697 PolarHBondContact O-N 3.32Å; M697-Y701 VanDerWaalsContact O-CB 3.3Å; M697-Y701 WeakPolarHBondContact O-CB 3.47Å; M697-Y701 PolarHBondContact O-N 3.46Å |
| 698 | L | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 176.5 | 177 | 66.5 | 0 | 0 | 0 | 111.5 | V674 M677 V678 R694 L695 W696 Y701 V702 M750 T754 | V674-L698 HydrophobicContact CB-CD1 4.43Å; V674-L698 HydrophobicContact CG1-CD1 3.88Å; V674-L698 HydrophobicContact CG2-CD1 4.08Å; M677-L698 HydrophobicContact CB-CB 4.4Å; M677-L698 VanDerWaalsContact SD-CA 3.53Å; M677-L698 HydrophobicContact SD-CB 3.97Å; M677-L698 HydrophobicContact SD-CD1 4.37Å; M677-L698 PolarHBondContact SD-N 2.63Å; V678-L698 HydrophobicContact CG2-CD1 4.18Å; V678-L698 HydrophobicContact CG2-CD2 3.66Å; R694-L698 WeakPolarHBondContact O-CB 3.4Å; R694-L698 PolarHBondContact O-N 3.48Å; L695-L698 HydrophobicContact CD1-CD2 4.4Å; L695-L698 PolarHBondContact O-N 3.37Å; W696-L698 VanDerWaalsContact C-N 3.31Å; W696-L698 PolarHBondContact O-N 3.48Å; L698-Y701 PolarHBondContact O-N 3.04Å; L698-V702 HydrophobicContact CD1-CG2 4.02Å; L698-V702 WeakPolarHBondContact O-CB 3.38Å; L698-V702 WeakPolarHBondContact O-CG2 3.3Å; L698-V702 PolarHBondContact O-N 3.25Å; L698-M750 HydrophobicContact CD2-CB 4.21Å; L698-M750 HydrophobicContact CD2-CE 4.39Å; L698-T754 HydrophobicContact CG-CG2 4.22Å |
| 699 | R | 92.2 | Very high | 89.4 | Confident | 112 Ų | 112 | 59.7 Ų | 59.7 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -48.2 | 179.2 | -74.6 | 177.4 | -179.7 | -175 | 1.7 | 111.8 | L695 W696 Y701 V702 Q703 S753 T754 | L695-R699 HydrophobicContact CD1-CG 4.45Å; L695-R699 WeakPolarHBondContact O-CG 3.32Å; L695-R699 PolarHBondContact O-N 3.43Å; W696-R699 PolarHBondContact O-N 2.83Å; R699-Y701 VanDerWaalsContact C-N 3.32Å; R699-Y701 PolarHBondContact O-N 3.34Å; R699-V702 PolarHBondContact O-N 3.15Å; R699-Q703 WeakPolarHBondContact O-CB 3.07Å; R699-Q703 PolarHBondContact O-N 3.4Å; R699-S753 PolarHBondContact NH2-OG 3.12Å; R699-S753 VanDerWaalsContact NH2-OG 3.16Å; R699-T754 HydrophobicContact CG-CG2 4.18Å |
| 700 | E | 90.5 | Very high | 89.6 | Confident | 98 Ų | 98 | 61.7 Ų | 61.7 | 46% | 0.458 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 177.6 | -69.6 | -62.4 | 135.6 | 0 | 0 | 111.5 | W696 G704 | W696-E700 HydrophobicContact CD2-CG 4.11Å; W696-E700 HydrophobicContact CH2-CG 4.16Å; W696-E700 HydrophobicContact CZ2-CG 3.69Å; W696-E700 WeakPolarHBondContact O-CG 3.4Å; W696-E700 PolarHBondContact O-N 3.2Å; E700-G704 PolarHBondContact O-N 3.23Å |
| 701 | Y | 91.2 | Very high | 89.7 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -51.9 | 179.4 | -178.1 | -110.1 | 0 | 0 | 0 | 112.3 | L651 H670 L673 V674 M697 L698 R699 Q703 G704 L705 | L651-Y701 HydrophobicContact CD2-CD2 3.79Å; L651-Y701 HydrophobicContact CD2-CE2 3.89Å; L651-Y701 HydrophobicContact CD2-CG 4.2Å; L651-Y701 WeakPolarHBondContact O-CE2 3.41Å; H670-Y701 PolarHBondContact CE1-OH 3.39Å; H670-Y701 AromaticContact ND1-CZ 3.82Å; H670-Y701 PolarHBondContact ND1-OH 3.2Å; L673-Y701 HydrophobicContact CD1-CE2 4.44Å; L673-Y701 WeakPolarHBondContact CD1-OH 3.44Å; V674-Y701 HydrophobicContact CG2-CD1 4.45Å; V674-Y701 HydrophobicContact CG2-CE1 4.37Å; M697-Y701 VanDerWaalsContact O-CB 3.3Å; M697-Y701 WeakPolarHBondContact O-CB 3.47Å; M697-Y701 PolarHBondContact O-N 3.46Å; L698-Y701 PolarHBondContact O-N 3.04Å; R699-Y701 VanDerWaalsContact C-N 3.32Å; R699-Y701 PolarHBondContact O-N 3.34Å; Y701-Q703 VanDerWaalsContact C-N 3.34Å; Y701-Q703 PolarHBondContact O-N 3.43Å; Y701-G704 PolarHBondContact O-N 3.3Å; Y701-L705 HydrophobicContact CD1-CD1 4.13Å; Y701-L705 HydrophobicContact CE1-CD1 3.63Å; Y701-L705 HydrophobicContact CE1-CG 4.45Å; Y701-L705 WeakPolarHBondContact O-CG 3.48Å; Y701-L705 PolarHBondContact O-N 3.36Å |
| 702 | V | 92.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.5 | -36.9 | -179.2 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | L698 R699 L705 A706 F733 T754 F755 I758 | L698-V702 HydrophobicContact CD1-CG2 4.02Å; L698-V702 WeakPolarHBondContact O-CB 3.38Å; L698-V702 WeakPolarHBondContact O-CG2 3.3Å; L698-V702 PolarHBondContact O-N 3.25Å; R699-V702 PolarHBondContact O-N 3.15Å; V702-L705 PolarHBondContact O-N 2.66Å; V702-A706 VanDerWaalsContact O-CB 3.32Å; V702-A706 WeakPolarHBondContact O-CB 3.19Å; V702-A706 PolarHBondContact O-N 2.8Å; V702-F733 HydrophobicContact CG1-CE2 4.33Å; V702-F733 HydrophobicContact CG1-CZ 4.1Å; V702-T754 HydrophobicContact CB-CG2 3.67Å; V702-T754 HydrophobicContact CG1-CG2 3.83Å; V702-T754 HydrophobicContact CG2-CG2 3.92Å; V702-F755 HydrophobicContact CG1-CD1 4.31Å; V702-F755 HydrophobicContact CG1-CE1 3.86Å; V702-F755 HydrophobicContact CG1-CE2 4.48Å; V702-F755 HydrophobicContact CG1-CZ 3.96Å; V702-F755 HydrophobicContact CG2-CE2 4.27Å; V702-F755 HydrophobicContact CG2-CZ 3.99Å; V702-I758 HydrophobicContact CG1-CD1 3.51Å |
| 703 | Q | 90.3 | Very high | 89.4 | Confident | 114 Ų | 114 | 60.4 Ų | 60.4 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 174.3 | -176 | 173 | -9 | 0 | 0 | 111.5 | R699 Y701 L705 A706 Q707 | R699-Q703 WeakPolarHBondContact O-CB 3.07Å; R699-Q703 PolarHBondContact O-N 3.4Å; Y701-Q703 VanDerWaalsContact C-N 3.34Å; Y701-Q703 PolarHBondContact O-N 3.43Å; Q703-L705 VanDerWaalsContact C-N 3.32Å; Q703-L705 PolarHBondContact O-N 2.82Å; Q703-A706 CarbonylContact O-C 3.57Å; Q703-A706 PolarHBondContact O-N 3.15Å; Q703-Q707 WeakPolarHBondContact O-CA 3.49Å; Q703-Q707 WeakPolarHBondContact O-CB 3.47Å; Q703-Q707 PolarHBondContact O-N 3.46Å |
| 704 | G | 88.5 | Confident | 89.1 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | E700 Y701 | E700-G704 PolarHBondContact O-N 3.23Å; Y701-G704 PolarHBondContact O-N 3.3Å |
| 705 | L | 88.8 | Confident | 88.2 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 173.3 | -66.2 | 178.8 | 0 | 0 | 0 | 112.3 | G654 Y701 V702 Q703 F733 | G654-L705 VanDerWaalsContact C-CD2 3.44Å; Y701-L705 HydrophobicContact CD1-CD1 4.13Å; Y701-L705 HydrophobicContact CE1-CD1 3.63Å; Y701-L705 HydrophobicContact CE1-CG 4.45Å; Y701-L705 WeakPolarHBondContact O-CG 3.48Å; Y701-L705 PolarHBondContact O-N 3.36Å; V702-L705 PolarHBondContact O-N 2.66Å; Q703-L705 VanDerWaalsContact C-N 3.32Å; Q703-L705 PolarHBondContact O-N 2.82Å; L705-F733 HydrophobicContact CB-CE1 4.15Å; L705-F733 HydrophobicContact CB-CZ 3.86Å; L705-F733 HydrophobicContact CD1-CE1 3.98Å; L705-F733 HydrophobicContact CD1-CZ 4.41Å |
| 706 | A | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -89.9 | -1.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V702 Q703 N708 F709 L710 L729 F733 I758 | V702-A706 VanDerWaalsContact O-CB 3.32Å; V702-A706 WeakPolarHBondContact O-CB 3.19Å; V702-A706 PolarHBondContact O-N 2.8Å; Q703-A706 CarbonylContact O-C 3.57Å; Q703-A706 PolarHBondContact O-N 3.15Å; A706-N708 PolarHBondContact O-N 3.41Å; A706-F709 WeakPolarHBondContact O-CA 3.37Å; A706-F709 WeakPolarHBondContact O-CB 3.46Å; A706-F709 PolarHBondContact O-N 2.92Å; A706-L710 HydrophobicContact CB-CD1 4.04Å; A706-L710 HydrophobicContact CB-CG 4.17Å; A706-L710 PolarHBondContact O-N 2.82Å; A706-L729 HydrophobicContact CB-CD2 3.96Å; A706-F733 HydrophobicContact CB-CE2 4.09Å; A706-F733 HydrophobicContact CB-CZ 4.37Å; A706-I758 HydrophobicContact CB-CD1 3.9Å; A706-I758 HydrophobicContact CB-CG1 3.98Å |
| 707 | Q | 88.7 | Confident | 86.6 | Confident | 108 Ų | 108 | 59 Ų | 59 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -54.1 | -52.1 | -169.6 | -174.9 | 175.9 | 6.1 | 0 | 0 | 112.2 | Q703 F709 L710 D711 | Q703-Q707 WeakPolarHBondContact O-CA 3.49Å; Q703-Q707 WeakPolarHBondContact O-CB 3.47Å; Q703-Q707 PolarHBondContact O-N 3.46Å; Q707-F709 PolarHBondContact O-N 3.42Å; Q707-F709 VanDerWaalsContact O-N 3.1Å; Q707-L710 PolarHBondContact O-N 3.04Å; Q707-D711 WeakPolarHBondContact CG-OD2 3.41Å; Q707-D711 WeakPolarHBondContact O-CB 3.38Å; Q707-D711 VanDerWaalsContact O-CG 3.3Å; Q707-D711 PolarHBondContact O-N 3.17Å |
| 708 | N | 86.1 | Confident | 86.1 | Confident | 127 Ų | 127 | 63 Ų | 63 | 68% | 0.679 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60 | -25 | 179 | -70.2 | -25.9 | 0 | 0 | 0 | 113.8 | A706 L712 | A706-N708 PolarHBondContact O-N 3.41Å; N708-L712 WeakPolarHBondContact O-CG 2.84Å |
| 709 | F | 89.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.013 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -88 | -40.4 | 179.4 | 174 | -96.2 | 0 | 0 | 0 | 112.2 | A706 Q707 D711 L712 T726 L729 L730 I758 K761 A762 I765 | A706-F709 WeakPolarHBondContact O-CA 3.37Å; A706-F709 WeakPolarHBondContact O-CB 3.46Å; A706-F709 PolarHBondContact O-N 2.92Å; Q707-F709 PolarHBondContact O-N 3.42Å; Q707-F709 VanDerWaalsContact O-N 3.1Å; F709-D711 VanDerWaalsContact C-N 3.35Å; F709-L712 HydrophobicContact CD2-CD1 4.15Å; F709-L712 WeakPolarHBondContact O-CB 3.39Å; F709-L712 WeakPolarHBondContact O-CG 3.18Å; F709-L712 PolarHBondContact O-N 3.26Å; F709-T726 HydrophobicContact CE2-CG2 4.23Å; F709-L729 HydrophobicContact CB-CD2 3.33Å; F709-L729 HydrophobicContact CD1-CD2 3.87Å; F709-L729 HydrophobicContact CD2-CD2 4.2Å; F709-L729 HydrophobicContact CG-CD2 3.56Å; F709-L730 HydrophobicContact CE2-CG 4.45Å; F709-L730 HydrophobicContact CZ-CD1 4.45Å; F709-L730 HydrophobicContact CZ-CD2 4.17Å; F709-L730 HydrophobicContact CZ-CG 4.47Å; F709-I758 HydrophobicContact CD1-CG2 4.33Å; F709-I758 HydrophobicContact CE1-CG2 3.98Å; F709-K761 HydrophobicContact CD1-CG 4.22Å; F709-K761 HydrophobicContact CE1-CB 3.89Å; F709-K761 HydrophobicContact CE1-CG 3.76Å; F709-K761 HydrophobicContact CZ-CG 4.27Å; F709-A762 HydrophobicContact CZ-CB 4.08Å; F709-I765 HydrophobicContact CD2-CD1 4.16Å; F709-I765 HydrophobicContact CE1-CD1 4.46Å; F709-I765 HydrophobicContact CE2-CD1 3.32Å; F709-I765 HydrophobicContact CZ-CD1 3.51Å |
| 710 | L | 89 | Confident | 85.2 | Confident | 46 Ų | 46 | 66 Ų | 66 | 24% | 0.241 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | 177.7 | -67.8 | 173.8 | 0 | 0 | 0 | 111.3 | A706 Q707 L712 I758 K761 | A706-L710 HydrophobicContact CB-CD1 4.04Å; A706-L710 HydrophobicContact CB-CG 4.17Å; A706-L710 PolarHBondContact O-N 2.82Å; Q707-L710 PolarHBondContact O-N 3.04Å; L710-L712 PolarHBondContact O-N 2.94Å; L710-I758 HydrophobicContact CD2-CG1 4.25Å; L710-K761 HydrophobicContact CD2-CB 4.18Å; L710-K761 HydrophobicContact CD2-CG 4.44Å; L710-K761 PolarHBondContact O-NZ 3.43Å |
| 711 | D | 87.7 | Confident | 84.9 | Confident | 115 Ų | 115 | 67.7 Ų | 67.7 | 62% | 0.615 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 0.1 | -178.6 | -65.9 | -16.1 | 0 | 0 | 0 | 113.9 | Q707 F709 D713 | Q707-D711 WeakPolarHBondContact CG-OD2 3.41Å; Q707-D711 WeakPolarHBondContact O-CB 3.38Å; Q707-D711 VanDerWaalsContact O-CG 3.3Å; Q707-D711 PolarHBondContact O-N 3.17Å; F709-D711 VanDerWaalsContact C-N 3.35Å; D711-D713 PolarHBondContact O-N 3.1Å |
| 712 | L | 86.8 | Confident | 84.6 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | trans | -64.5 | 117.1 | 176.8 | -68.7 | 172.2 | 0 | 0 | 0 | 111.4 | N708 F709 L710 L714 T725 K761 | N708-L712 WeakPolarHBondContact O-CG 2.84Å; F709-L712 HydrophobicContact CD2-CD1 4.15Å; F709-L712 WeakPolarHBondContact O-CB 3.39Å; F709-L712 WeakPolarHBondContact O-CG 3.18Å; F709-L712 PolarHBondContact O-N 3.26Å; L710-L712 PolarHBondContact O-N 2.94Å; L712-L714 HydrophobicContact CB-CD2 4.49Å; L712-L714 PolarHBondContact O-N 3.46Å; L712-T725 WeakPolarHBondContact CD1-OG1 3.44Å; L712-K761 PolarHBondContact O-NZ 3.01Å | ||
| 713 | D | 83.6 | Confident | 84.3 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | trans | -79.7 | 104.7 | 168.8 | -172.6 | -6.9 | 0 | 0 | 0 | 110.4 | D711 G715 Q716 A717 | D711-D713 PolarHBondContact O-N 3.1Å; D713-G715 PolarHBondContact O-N 3.48Å; D713-G715 PolarHBondContact OD1-N 3.1Å; D713-Q716 PolarHBondContact O-N 3.45Å; D713-A717 WeakPolarHBondContact O-CB 3.43Å; D713-A717 PolarHBondContact O-N 3.21Å | ||
| 714 | L | 82.2 | Confident | 84.1 | Confident | 29 Ų | 29 | 65 Ų | 65 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.4 | -176.7 | -55.7 | -179.3 | 0 | 0 | 0 | 113.2 | L712 M764 I765 F769 | L712-L714 HydrophobicContact CB-CD2 4.49Å; L712-L714 PolarHBondContact O-N 3.46Å; L714-M764 HydrophobicContact CD1-CB 3.92Å; L714-I765 HydrophobicContact CD1-CG1 4.27Å; L714-I765 HydrophobicContact CD2-CD1 4.4Å; L714-I765 HydrophobicContact CD2-CG1 3.6Å; L714-F769 HydrophobicContact CB-CE2 4.24Å; L714-F769 HydrophobicContact CD2-CE2 4.06Å |
| 715 | G | 72.1 | Confident | 84 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 74% | 0.742 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -22.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D713 | D713-G715 PolarHBondContact O-N 3.48Å; D713-G715 PolarHBondContact OD1-N 3.1Å |
| 716 | Q | 72.8 | Confident | 83.9 | Confident | 167 Ų | 167 | 63.7 Ų | 63.7 | 78% | 0.78 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | -11.8 | -173.9 | -61 | -172.5 | 5 | 0 | 0 | 114.2 | D713 | D713-Q716 PolarHBondContact O-N 3.45Š|
| 717 | A | 74 | Confident | 83.7 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | trans | -76.9 | 140.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D713 V722 | D713-A717 WeakPolarHBondContact O-CB 3.43Å; D713-A717 PolarHBondContact O-N 3.21Å; A717-V722 HydrophobicContact CB-CG2 3.74Å | ||
| 718 | N | 78.7 | Confident | 83.5 | Confident | 119 Ų | 119 | 65.9 Ų | 65.9 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | trans | -64.9 | 135.8 | 169.9 | -70.7 | -10.8 | 0 | 0 | 0 | 110.9 | S720 K721 V722 | N718-S720 VanDerWaalsContact C-N 3.27Å; N718-S720 PolarHBondContact O-N 3.17Å; N718-K721 WeakPolarHBondContact O-CB 3.39Å; N718-K721 PolarHBondContact O-N 3.43Å; N718-V722 PolarHBondContact O-N 3.21Å; N718-V722 VanDerWaalsContact O-N 3.16Å | ||
| 719 | E | 82.1 | Confident | 83.7 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -53.1 | -40.7 | 179.9 | -174.5 | 179.7 | 178.5 | 0 | 0 | 113.1 | K721 V722 A723 F769 S772 M776 | E719-K721 VanDerWaalsContact C-N 3.32Å; E719-K721 PolarHBondContact O-N 3.22Å; E719-V722 PolarHBondContact O-N 2.93Å; E719-A723 WeakPolarHBondContact O-CB 3.43Å; E719-A723 PolarHBondContact O-N 3.25Å; E719-F769 HydrophobicContact CG-CD1 4.31Å; E719-S772 VanDerWaalsContact CD-OG 3.31Å; E719-S772 WeakPolarHBondContact OE1-CB 3.32Å; E719-S772 PolarHBondContact OE1-OG 2.98Å; E719-M776 HydrophobicContact CG-CE 4.11Å |
| 720 | S | 83 | Confident | 83.7 | Confident | 90 Ų | 90 | 60.8 Ų | 60.8 | 63% | 0.629 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.4 | -35.5 | 178.8 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | N718 A724 | N718-S720 VanDerWaalsContact C-N 3.27Å; N718-S720 PolarHBondContact O-N 3.17Å; S720-A724 WeakPolarHBondContact O-CB 3.36Å; S720-A724 PolarHBondContact O-N 3.38Å |
| 721 | K | 84.7 | Confident | 83.6 | Confident | 135 Ų | 135 | 59.3 Ų | 59.3 | 59% | 0.587 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -71.6 | -40.4 | 176.4 | -172.7 | -179.1 | 178.5 | -175.5 | 0 | 110.8 | N718 E719 A723 T725 | N718-K721 WeakPolarHBondContact O-CB 3.39Å; N718-K721 PolarHBondContact O-N 3.43Å; E719-K721 VanDerWaalsContact C-N 3.32Å; E719-K721 PolarHBondContact O-N 3.22Å; K721-A723 VanDerWaalsContact C-N 3.35Å; K721-T725 WeakPolarHBondContact O-CG2 3.02Å; K721-T725 PolarHBondContact O-N 2.71Å; K721-T725 PolarHBondContact O-OG1 2.99Å |
| 722 | V | 85.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 174.7 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | A717 N718 E719 T725 T726 I765 F769 M776 | A717-V722 HydrophobicContact CB-CG2 3.74Å; N718-V722 PolarHBondContact O-N 3.21Å; N718-V722 VanDerWaalsContact O-N 3.16Å; E719-V722 PolarHBondContact O-N 2.93Å; V722-T725 PolarHBondContact O-OG1 3.39Å; V722-T725 VanDerWaalsContact O-OG1 3.05Å; V722-T726 VanDerWaalsContact O-CB 3.22Å; V722-T726 WeakPolarHBondContact O-CB 3.44Å; V722-T726 PolarHBondContact O-N 2.84Å; V722-T726 PolarHBondContact O-OG1 3.49Å; V722-I765 HydrophobicContact CG1-CG2 3.98Å; V722-F769 HydrophobicContact CG1-CD2 4.29Å; V722-F769 HydrophobicContact CG1-CE2 4.47Å; V722-M776 HydrophobicContact CG1-SD 4.06Å |
| 723 | A | 85.4 | Confident | 83.8 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 12% | 0.124 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -52.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E719 K721 T725 T726 L727 M776 | E719-A723 WeakPolarHBondContact O-CB 3.43Å; E719-A723 PolarHBondContact O-N 3.25Å; K721-A723 VanDerWaalsContact C-N 3.35Å; A723-T725 VanDerWaalsContact C-N 3.33Å; A723-T725 PolarHBondContact O-N 3.02Å; A723-T726 PolarHBondContact O-N 3.11Å; A723-L727 WeakPolarHBondContact O-CB 3.41Å; A723-L727 WeakPolarHBondContact O-CG 3.3Å; A723-L727 PolarHBondContact O-N 2.95Å; A723-M776 WeakPolarHBondContact CA-SD 3.48Å; A723-M776 HydrophobicContact CB-CE 4.2Å; A723-M776 HydrophobicContact CB-CG 3.85Å; A723-M776 HydrophobicContact CB-SD 3.7Å |
| 724 | A | 85.9 | Confident | 84.2 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 54% | 0.537 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S720 S728 | S720-A724 WeakPolarHBondContact O-CB 3.36Å; S720-A724 PolarHBondContact O-N 3.38Å; A724-S728 WeakPolarHBondContact O-CB 3.44Å; A724-S728 PolarHBondContact O-N 3.36Å |
| 725 | T | 85.9 | Confident | 84.4 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.7 | -41 | 178.6 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | L712 K721 V722 A723 L729 | L712-T725 WeakPolarHBondContact CD1-OG1 3.44Å; K721-T725 WeakPolarHBondContact O-CG2 3.02Å; K721-T725 PolarHBondContact O-N 2.71Å; K721-T725 PolarHBondContact O-OG1 2.99Å; V722-T725 PolarHBondContact O-OG1 3.39Å; V722-T725 VanDerWaalsContact O-OG1 3.05Å; A723-T725 VanDerWaalsContact C-N 3.33Å; A723-T725 PolarHBondContact O-N 3.02Å; T725-L729 WeakPolarHBondContact O-CB 3.36Å; T725-L729 PolarHBondContact O-N 3.16Å |
| 726 | T | 87 | Confident | 85.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 177.6 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | F709 V722 A723 S728 L730 V780 | F709-T726 HydrophobicContact CE2-CG2 4.23Å; V722-T726 VanDerWaalsContact O-CB 3.22Å; V722-T726 WeakPolarHBondContact O-CB 3.44Å; V722-T726 PolarHBondContact O-N 2.84Å; V722-T726 PolarHBondContact O-OG1 3.49Å; A723-T726 PolarHBondContact O-N 3.11Å; T726-S728 PolarHBondContact O-N 3.31Å; T726-L730 HydrophobicContact CG2-CD1 3.61Å; T726-L730 HydrophobicContact CG2-CG 4.14Å; T726-L730 VanDerWaalsContact O-CB 3.3Å; T726-L730 WeakPolarHBondContact O-CB 3.29Å; T726-L730 WeakPolarHBondContact O-CG 3.15Å; T726-L730 PolarHBondContact O-N 2.86Å; T726-V780 HydrophobicContact CG2-CG2 4Å |
| 727 | L | 87.4 | Confident | 86.2 | Confident | 67 Ų | 67 | 40.3 Ų | 40.3 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.9 | -43.5 | -177.2 | -66.4 | 173.8 | 0 | 0 | 0 | 112.1 | A723 G731 A775 T779 | A723-L727 WeakPolarHBondContact O-CB 3.41Å; A723-L727 WeakPolarHBondContact O-CG 3.3Å; A723-L727 PolarHBondContact O-N 2.95Å; L727-G731 PolarHBondContact O-N 3.32Å; L727-A775 HydrophobicContact CD1-CB 4.48Å; L727-A775 HydrophobicContact CD2-CB 4.04Å; L727-A775 WeakPolarHBondContact CD2-O 3.37Å; L727-T779 HydrophobicContact CD2-CG2 3.43Å; L727-T779 VanDerWaalsContact CD2-CG2 3.43Å; L727-T779 WeakPolarHBondContact CD2-OG1 3.29Å |
| 728 | S | 84.6 | Confident | 87 | Confident | 87 Ų | 87 | 43 Ų | 43 | 61% | 0.608 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -68.1 | -47.1 | -179.1 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | A724 T726 T732 | A724-S728 WeakPolarHBondContact O-CB 3.44Å; A724-S728 PolarHBondContact O-N 3.36Å; T726-S728 PolarHBondContact O-N 3.31Å; S728-T732 PolarHBondContact O-OG1 3.47Å |
| 729 | L | 89.4 | Confident | 87.4 | Confident | 23 Ų | 23 | 42 Ų | 42 | 12% | 0.12 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.9 | -52.5 | -175.6 | -176.2 | 69.1 | 0 | 0 | 0 | 112 | A706 F709 T725 G731 T732 F733 | A706-L729 HydrophobicContact CB-CD2 3.96Å; F709-L729 HydrophobicContact CB-CD2 3.33Å; F709-L729 HydrophobicContact CD1-CD2 3.87Å; F709-L729 HydrophobicContact CD2-CD2 4.2Å; F709-L729 HydrophobicContact CG-CD2 3.56Å; T725-L729 WeakPolarHBondContact O-CB 3.36Å; T725-L729 PolarHBondContact O-N 3.16Å; L729-G731 VanDerWaalsContact C-N 3.3Å; L729-G731 PolarHBondContact O-N 2.98Å; L729-T732 PolarHBondContact O-N 2.78Å; L729-T732 VanDerWaalsContact O-N 3.13Å; L729-F733 HydrophobicContact CD1-CD1 4.35Å; L729-F733 HydrophobicContact CD1-CD2 4.15Å; L729-F733 HydrophobicContact CD1-CE1 3.9Å; L729-F733 HydrophobicContact CD1-CE2 3.65Å; L729-F733 HydrophobicContact CD1-CG 4.49Å; L729-F733 HydrophobicContact CD1-CZ 3.54Å; L729-F733 HydrophobicContact CD2-CD2 4.46Å; L729-F733 HydrophobicContact CD2-CE2 4.06Å; L729-F733 HydrophobicContact CG-CD2 4Å; L729-F733 HydrophobicContact CG-CE2 3.85Å; L729-F733 HydrophobicContact CG-CZ 4.26Å; L729-F733 PolarHBondContact O-N 3.05Å |
| 730 | L | 90.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.3 | -33.6 | -174 | -63.4 | -169.4 | 0 | 0 | 0 | 111.6 | F709 T726 T732 F733 T734 I758 A762 V780 F783 | F709-L730 HydrophobicContact CE2-CG 4.45Å; F709-L730 HydrophobicContact CZ-CD1 4.45Å; F709-L730 HydrophobicContact CZ-CD2 4.17Å; F709-L730 HydrophobicContact CZ-CG 4.47Å; T726-L730 HydrophobicContact CG2-CD1 3.61Å; T726-L730 HydrophobicContact CG2-CG 4.14Å; T726-L730 VanDerWaalsContact O-CB 3.3Å; T726-L730 WeakPolarHBondContact O-CB 3.29Å; T726-L730 WeakPolarHBondContact O-CG 3.15Å; T726-L730 PolarHBondContact O-N 2.86Å; L730-T732 VanDerWaalsContact C-N 3.29Å; L730-T732 PolarHBondContact O-N 3.46Å; L730-F733 PolarHBondContact O-N 2.8Å; L730-T734 VanDerWaalsContact O-CB 3.29Å; L730-T734 WeakPolarHBondContact O-CB 3.45Å; L730-T734 PolarHBondContact O-N 3.42Å; L730-T734 PolarHBondContact O-OG1 3.41Å; L730-I758 HydrophobicContact CD2-CG2 4.23Å; L730-A762 HydrophobicContact CD1-CB 4.03Å; L730-V780 HydrophobicContact CD1-CB 4.44Å; L730-V780 HydrophobicContact CD1-CG2 3.71Å; L730-F783 HydrophobicContact CB-CB 4.28Å; L730-F783 HydrophobicContact CB-CG 4.48Å; L730-F783 HydrophobicContact CD1-CB 4.39Å; L730-F783 HydrophobicContact CD1-CD1 4.48Å; L730-F783 HydrophobicContact CD2-CD1 3.84Å; L730-F783 HydrophobicContact CD2-CD2 4.46Å; L730-F783 HydrophobicContact CD2-CE1 4.1Å; L730-F783 HydrophobicContact CD2-CG 4.04Å |
| 731 | G | 86.7 | Confident | 87.8 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -39.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L727 L729 | L727-G731 PolarHBondContact O-N 3.32Å; L729-G731 VanDerWaalsContact C-N 3.3Å; L729-G731 PolarHBondContact O-N 2.98Å |
| 732 | T | 86.3 | Confident | 87.7 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 17% | 0.172 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.4 | -44 | 177.8 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | I667 S728 L729 L730 T734 A735 L736 | I667-T732 HydrophobicContact CG1-CG2 4.26Å; S728-T732 PolarHBondContact O-OG1 3.47Å; L729-T732 PolarHBondContact O-N 2.78Å; L729-T732 VanDerWaalsContact O-N 3.13Å; L730-T732 VanDerWaalsContact C-N 3.29Å; L730-T732 PolarHBondContact O-N 3.46Å; T732-T734 PolarHBondContact O-N 3.1Å; T732-A735 PolarHBondContact O-N 3.14Å; T732-L736 PolarHBondContact O-N 3.1Å; T732-L736 VanDerWaalsContact O-N 3.1Å |
| 733 | F | 92.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.3 | -30.1 | 179.8 | -73.8 | -4.3 | 0 | 0 | 0 | 113.6 | V702 L705 A706 L729 L730 L736 I737 F755 I758 F783 | V702-F733 HydrophobicContact CG1-CE2 4.33Å; V702-F733 HydrophobicContact CG1-CZ 4.1Å; L705-F733 HydrophobicContact CB-CE1 4.15Å; L705-F733 HydrophobicContact CB-CZ 3.86Å; L705-F733 HydrophobicContact CD1-CE1 3.98Å; L705-F733 HydrophobicContact CD1-CZ 4.41Å; A706-F733 HydrophobicContact CB-CE2 4.09Å; A706-F733 HydrophobicContact CB-CZ 4.37Å; L729-F733 HydrophobicContact CD1-CD1 4.35Å; L729-F733 HydrophobicContact CD1-CD2 4.15Å; L729-F733 HydrophobicContact CD1-CE1 3.9Å; L729-F733 HydrophobicContact CD1-CE2 3.65Å; L729-F733 HydrophobicContact CD1-CG 4.49Å; L729-F733 HydrophobicContact CD1-CZ 3.54Å; L729-F733 HydrophobicContact CD2-CD2 4.46Å; L729-F733 HydrophobicContact CD2-CE2 4.06Å; L729-F733 HydrophobicContact CG-CD2 4Å; L729-F733 HydrophobicContact CG-CE2 3.85Å; L729-F733 HydrophobicContact CG-CZ 4.26Å; L729-F733 PolarHBondContact O-N 3.05Å; L730-F733 PolarHBondContact O-N 2.8Å; F733-L736 PolarHBondContact O-N 3.36Å; F733-I737 WeakPolarHBondContact O-CB 3.49Å; F733-I737 VanDerWaalsContact O-CG1 3.29Å; F733-I737 WeakPolarHBondContact O-CG1 3.4Å; F733-I737 PolarHBondContact O-N 3.11Å; F733-F755 HydrophobicContact CB-CE1 4.21Å; F733-F755 HydrophobicContact CD1-CE1 4.13Å; F733-F755 HydrophobicContact CD2-CD1 4.13Å; F733-F755 AromaticContact CD2-CE1 3.66Å; F733-F755 HydrophobicContact CD2-CE1 3.66Å; F733-F755 HydrophobicContact CE1-CE1 4.35Å; F733-F755 HydrophobicContact CE2-CD1 4.46Å; F733-F755 AromaticContact CE2-CE1 3.92Å; F733-F755 HydrophobicContact CE2-CE1 3.92Å; F733-F755 AromaticContact CG-CE1 3.76Å; F733-F755 HydrophobicContact CG-CE1 3.76Å; F733-F755 HydrophobicContact CZ-CE1 4.24Å; F733-I758 HydrophobicContact CD2-CD1 4.28Å; F733-I758 HydrophobicContact CD2-CG2 4.21Å; F733-I758 HydrophobicContact CE2-CD1 3.65Å; F733-I758 HydrophobicContact CE2-CG2 4.34Å; F733-F783 HydrophobicContact CB-CD2 4.18Å; F733-F783 HydrophobicContact CB-CE2 3.69Å; F733-F783 HydrophobicContact CB-CZ 4.5Å |
| 734 | T | 91.2 | Very high | 87.4 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -51.1 | 174.4 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | L730 T732 L736 I737 E738 E782 F783 S786 | L730-T734 VanDerWaalsContact O-CB 3.29Å; L730-T734 WeakPolarHBondContact O-CB 3.45Å; L730-T734 PolarHBondContact O-N 3.42Å; L730-T734 PolarHBondContact O-OG1 3.41Å; T732-T734 PolarHBondContact O-N 3.1Å; T734-L736 PolarHBondContact O-N 3.44Å; T734-I737 PolarHBondContact O-N 3.49Å; T734-E738 WeakPolarHBondContact O-CB 3.46Å; T734-E738 PolarHBondContact O-N 3.08Å; T734-E738 VanDerWaalsContact O-N 3.08Å; T734-E782 HydrophobicContact CG2-CB 4.47Å; T734-F783 WeakPolarHBondContact OG1-CA 3.16Å; T734-F783 WeakPolarHBondContact OG1-CB 3.4Å; T734-S786 PolarHBondContact O-OG 2.94Å; T734-S786 VanDerWaalsContact O-OG 3.1Å |
| 735 | A | 87.5 | Confident | 87.2 | Confident | 34 Ų | 34 | 40 Ų | 40 | 28% | 0.281 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I667 T732 Y739 | I667-A735 HydrophobicContact CD1-CB 4.1Å; I667-A735 HydrophobicContact CG2-CB 3.91Å; T732-A735 PolarHBondContact O-N 3.14Å; A735-Y739 PolarHBondContact O-N 3.44Å |
| 736 | L | 91 | Very high | 87.1 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 177.9 | -180 | 157.8 | 0 | 0 | 0 | 112.1 | H670 I671 V674 T732 F733 T734 Y739 F740 F755 | H670-L736 HydrophobicContact CB-CD1 3.95Å; I671-L736 HydrophobicContact CG1-CB 4.33Å; I671-L736 HydrophobicContact CG1-CG 4.32Å; V674-L736 HydrophobicContact CG1-CD2 4.3Å; V674-L736 HydrophobicContact CG2-CD1 3.98Å; T732-L736 PolarHBondContact O-N 3.1Å; T732-L736 VanDerWaalsContact O-N 3.1Å; F733-L736 PolarHBondContact O-N 3.36Å; T734-L736 PolarHBondContact O-N 3.44Å; L736-Y739 WeakPolarHBondContact O-CB 3.37Å; L736-F740 HydrophobicContact CD2-CD2 4.44Å; L736-F740 HydrophobicContact CD2-CE2 4.08Å; L736-F740 WeakPolarHBondContact O-CD2 3.2Å; L736-F740 WeakPolarHBondContact O-CE2 3.38Å; L736-F755 HydrophobicContact CD2-CE2 4.12Å; L736-F755 HydrophobicContact CD2-CZ 3.75Å |
| 737 | I | 91.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.8 | -33.7 | -175.6 | -67.9 | 173.7 | 0 | 0 | 0 | 111.5 | F733 T734 Y739 F740 F755 F783 M787 T790 | F733-I737 WeakPolarHBondContact O-CB 3.49Å; F733-I737 VanDerWaalsContact O-CG1 3.29Å; F733-I737 WeakPolarHBondContact O-CG1 3.4Å; F733-I737 PolarHBondContact O-N 3.11Å; T734-I737 PolarHBondContact O-N 3.49Å; I737-Y739 PolarHBondContact O-N 3.32Å; I737-F740 PolarHBondContact O-N 3.07Å; I737-F740 VanDerWaalsContact O-N 3.1Å; I737-F755 HydrophobicContact CD1-CB 4.12Å; I737-F755 HydrophobicContact CD1-CD1 3.51Å; I737-F755 HydrophobicContact CD1-CD2 3.99Å; I737-F755 HydrophobicContact CD1-CE1 3.82Å; I737-F755 HydrophobicContact CD1-CE2 4.29Å; I737-F755 HydrophobicContact CD1-CG 3.6Å; I737-F755 HydrophobicContact CD1-CZ 4.2Å; I737-F755 HydrophobicContact CG1-CD1 4.42Å; I737-F755 HydrophobicContact CG1-CD2 4.37Å; I737-F755 HydrophobicContact CG1-CE1 4.33Å; I737-F755 HydrophobicContact CG1-CE2 4.29Å; I737-F755 HydrophobicContact CG1-CG 4.44Å; I737-F755 HydrophobicContact CG1-CZ 4.27Å; I737-F783 HydrophobicContact CD1-CE2 3.54Å; I737-F783 HydrophobicContact CD1-CZ 4.04Å; I737-M787 HydrophobicContact CD1-CG 4.15Å; I737-M787 HydrophobicContact CD1-SD 3.24Å; I737-M787 WeakPolarHBondContact CD1-SD 3.29Å; I737-M787 HydrophobicContact CG1-SD 4.34Å; I737-M787 HydrophobicContact CG2-SD 3.93Å; I737-T790 HydrophobicContact CG2-CG2 4.11Å; I737-T790 WeakPolarHBondContact O-CG2 3.36Å; I737-T790 PolarHBondContact O-OG1 3.33Å |
| 738 | E | 89.4 | Confident | 87.2 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -32.6 | 177.8 | -169.3 | 154.3 | -150 | 0 | 0 | 111.9 | T734 F740 K741 S786 R789 | T734-E738 WeakPolarHBondContact O-CB 3.46Å; T734-E738 PolarHBondContact O-N 3.08Å; T734-E738 VanDerWaalsContact O-N 3.08Å; E738-F740 PolarHBondContact O-N 3.4Å; E738-K741 WeakPolarHBondContact O-CB 3.44Å; E738-K741 PolarHBondContact O-N 2.72Å; E738-S786 PolarHBondContact N-OG 2.87Å; E738-R789 IonicContact OE1-NH1 3.35Å |
| 739 | Y | 88.4 | Confident | 87.4 | Confident | 99 Ų | 99 | 41.7 Ų | 41.7 | 39% | 0.388 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.2 | -33.4 | 174 | -172.2 | -95.1 | 0 | 0 | 0 | 113.3 | L630 T634 I671 A735 L736 I737 K741 | L630-Y739 HydrophobicContact CD1-CE1 4.41Å; L630-Y739 HydrophobicContact CD1-CE2 4.33Å; L630-Y739 HydrophobicContact CD2-CE2 4.25Å; T634-Y739 HydrophobicContact CG2-CE1 3.83Å; T634-Y739 VanDerWaalsContact CG2-OH 3.28Å; T634-Y739 WeakPolarHBondContact CG2-OH 3.49Å; I671-Y739 HydrophobicContact CD1-CD2 4.13Å; I671-Y739 HydrophobicContact CD1-CG 4.1Å; I671-Y739 HydrophobicContact CG1-CG 4.46Å; I671-Y739 HydrophobicContact CG2-CD1 3.26Å; I671-Y739 HydrophobicContact CG2-CD2 3.91Å; I671-Y739 HydrophobicContact CG2-CE1 3.56Å; I671-Y739 HydrophobicContact CG2-CE2 4.16Å; I671-Y739 HydrophobicContact CG2-CG 3.46Å; I671-Y739 VanDerWaalsContact CG2-CG 3.46Å; A735-Y739 PolarHBondContact O-N 3.44Å; L736-Y739 WeakPolarHBondContact O-CB 3.37Å; I737-Y739 PolarHBondContact O-N 3.32Å; Y739-K741 VanDerWaalsContact C-N 3.31Å; Y739-K741 PolarHBondContact O-N 3.2Å |
| 740 | F | 88.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -85.5 | 7.6 | -175.2 | -68.1 | -83.5 | 0 | 0 | 0 | 114.6 | V674 S675 V678 L736 I737 E738 A742 T743 L751 T790 | V674-F740 HydrophobicContact CB-CE2 4.44Å; V674-F740 HydrophobicContact CB-CZ 4.24Å; V674-F740 HydrophobicContact CG1-CE2 3.85Å; V674-F740 HydrophobicContact CG1-CZ 3.73Å; S675-F740 VanDerWaalsContact OG-CZ 3.23Å; S675-F740 WeakPolarHBondContact OG-CZ 3.3Å; V678-F740 HydrophobicContact CG1-CE1 4.44Å; L736-F740 HydrophobicContact CD2-CD2 4.44Å; L736-F740 HydrophobicContact CD2-CE2 4.08Å; L736-F740 WeakPolarHBondContact O-CD2 3.2Å; L736-F740 WeakPolarHBondContact O-CE2 3.38Å; I737-F740 PolarHBondContact O-N 3.07Å; I737-F740 VanDerWaalsContact O-N 3.1Å; E738-F740 PolarHBondContact O-N 3.4Å; F740-A742 VanDerWaalsContact C-N 3.26Å; F740-A742 PolarHBondContact O-N 2.72Å; F740-A742 VanDerWaalsContact O-N 3.14Å; F740-T743 HydrophobicContact CB-CG2 4.3Å; F740-T743 HydrophobicContact CD1-CG2 3.85Å; F740-T743 PolarHBondContact O-N 2.83Å; F740-T743 PolarHBondContact O-OG1 3.3Å; F740-L751 HydrophobicContact CB-CD1 3.63Å; F740-L751 HydrophobicContact CD1-CD1 3.88Å; F740-L751 HydrophobicContact CD2-CD1 3.93Å; F740-L751 HydrophobicContact CG-CD1 3.53Å; F740-T790 HydrophobicContact CB-CG2 4.02Å |
| 741 | K | 85.3 | Confident | 87.6 | Confident | 123 Ų | 123 | 41.3 Ų | 41.3 | 54% | 0.535 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -50 | -42.4 | -176.4 | -172.5 | 178.8 | 179.4 | -176.9 | 0 | 113.7 | E738 Y739 K748 | E738-K741 WeakPolarHBondContact O-CB 3.44Å; E738-K741 PolarHBondContact O-N 2.72Å; Y739-K741 VanDerWaalsContact C-N 3.31Å; Y739-K741 PolarHBondContact O-N 3.2Å; K741-K748 WeakPolarHBondContact O-CE 3.49Å; K741-K748 PolarHBondContact O-NZ 2.71Å |
| 742 | A | 81.8 | Confident | 87.8 | Confident | 105 Ų | 105 | 40.9 Ų | 40.9 | 87% | 0.868 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -88.6 | 6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F740 | F740-A742 VanDerWaalsContact C-N 3.26Å; F740-A742 PolarHBondContact O-N 2.72Å; F740-A742 VanDerWaalsContact O-N 3.14Å |
| 743 | T | 83.6 | Confident | 88 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | trans | -85.9 | 160.5 | -173.3 | 63 | 0 | 0 | 0 | 0 | 114.3 | L679 F740 K748 | L679-T743 HydrophobicContact CD2-CG2 3.92Å; F740-T743 HydrophobicContact CB-CG2 4.3Å; F740-T743 HydrophobicContact CD1-CG2 3.85Å; F740-T743 PolarHBondContact O-N 2.83Å; F740-T743 PolarHBondContact O-OG1 3.3Å; T743-K748 WeakPolarHBondContact O-CE 3.49Å; T743-K748 PolarHBondContact O-NZ 3.38Å | ||
| 744 | G | 81.4 | Confident | 88 | Confident | 51 Ų | 51 | 42.2 Ų | 42.2 | 53% | 0.526 | 26% | 0.257 | S | S | . | . | trans | -73 | 167.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | N746 A747 K748 | G744-N746 PolarHBondContact O-N 2.68Å; G744-A747 WeakPolarHBondContact O-CB 3.41Å; G744-A747 PolarHBondContact O-N 2.84Å; G744-K748 PolarHBondContact O-N 3.45Å | ||
| 745 | G | 81.4 | Confident | 88.1 | Confident | 39 Ų | 39 | 41.5 Ų | 41.5 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.1 | -50.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A747 K748 D749 | G745-A747 VanDerWaalsContact C-N 3.29Å; G745-A747 PolarHBondContact O-N 2.93Å; G745-K748 CarbonylContact O-C 3.58Å; G745-K748 WeakPolarHBondContact O-CA 3.5Å; G745-K748 WeakPolarHBondContact O-CB 3.34Å; G745-K748 PolarHBondContact O-N 3.49Å; G745-D749 PolarHBondContact O-N 3.32Å |
| 746 | N | 84.9 | Confident | 88.3 | Confident | 102 Ų | 102 | 43.6 Ų | 43.6 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | -178.2 | -67.7 | -3.3 | 0 | 0 | 0 | 112.9 | G744 K748 D749 M750 | G744-N746 PolarHBondContact O-N 2.68Å; N746-K748 VanDerWaalsContact C-N 3.35Å; N746-D749 PolarHBondContact O-N 3.48Å; N746-M750 WeakPolarHBondContact O-CG 3.29Å; N746-M750 PolarHBondContact O-N 3.28Å; N746-M750 VanDerWaalsContact O-N 3.11Å |
| 747 | A | 86.6 | Confident | 88.4 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | V678 G744 G745 M750 L751 | V678-A747 VanDerWaalsContact CG1-CA 3.46Å; V678-A747 HydrophobicContact CG1-CB 3.32Å; V678-A747 WeakPolarHBondContact CG1-O 3.49Å; G744-A747 WeakPolarHBondContact O-CB 3.41Å; G744-A747 PolarHBondContact O-N 2.84Å; G745-A747 VanDerWaalsContact C-N 3.29Å; G745-A747 PolarHBondContact O-N 2.93Å; A747-M750 PolarHBondContact O-N 2.95Å; A747-L751 WeakPolarHBondContact O-CG 3.4Å; A747-L751 PolarHBondContact O-N 3.38Å |
| 748 | K | 89.6 | Confident | 88.5 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -36 | 176.9 | -69.8 | -175.5 | 170.4 | 176.5 | 0 | 112.6 | K741 T743 G744 G745 N746 L751 A752 T790 L791 | K741-K748 WeakPolarHBondContact O-CE 3.49Å; K741-K748 PolarHBondContact O-NZ 2.71Å; T743-K748 WeakPolarHBondContact O-CE 3.49Å; T743-K748 PolarHBondContact O-NZ 3.38Å; G744-K748 PolarHBondContact O-N 3.45Å; G745-K748 CarbonylContact O-C 3.58Å; G745-K748 WeakPolarHBondContact O-CA 3.5Å; G745-K748 WeakPolarHBondContact O-CB 3.34Å; G745-K748 PolarHBondContact O-N 3.49Å; N746-K748 VanDerWaalsContact C-N 3.35Å; K748-L751 PolarHBondContact O-N 3.28Å; K748-A752 WeakPolarHBondContact O-CB 3.41Å; K748-A752 PolarHBondContact O-N 3.03Å; K748-T790 WeakPolarHBondContact CD-O 3.49Å; K748-T790 WeakPolarHBondContact CE-O 3.41Å; K748-T790 PolarHBondContact NZ-O 3.34Å; K748-L791 HydrophobicContact CB-CD2 3.48Å; K748-L791 VanDerWaalsContact CB-CD2 3.48Å; K748-L791 HydrophobicContact CD-CD2 4.23Å; K748-L791 HydrophobicContact CG-CD2 3.64Å; K748-L791 WeakPolarHBondContact O-CD2 3.34Å |
| 749 | D | 89.1 | Confident | 88.8 | Confident | 78 Ų | 78 | 43.1 Ų | 43.1 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 173.2 | -77.1 | -49.4 | 0 | 0 | 0 | 112.2 | G745 N746 L751 A752 S753 H794 | G745-D749 PolarHBondContact O-N 3.32Å; N746-D749 PolarHBondContact O-N 3.48Å; D749-L751 PolarHBondContact O-N 3.05Å; D749-A752 PolarHBondContact O-N 2.87Å; D749-S753 WeakPolarHBondContact O-CB 3.49Å; D749-S753 PolarHBondContact O-N 2.94Å; D749-H794 IonicContact OD1-CE1 3.48Å; D749-H794 PolarHBondContact OD1-CE1 3.49Å; D749-H794 IonicContact OD1-CG 2.84Å; D749-H794 IonicContact OD1-ND1 3.3Å; D749-H794 PolarHBondContact OD1-ND1 2.76Å; D749-H794 IonicContact OD2-CE1 3.84Å; D749-H794 IonicContact OD2-ND1 2.92Å |
| 750 | M | 91.1 | Very high | 89 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 177 | -69 | 178.3 | 65.3 | 0 | 0 | 111.2 | M677 Y691 R694 L695 L698 N746 A747 S753 T754 | M677-M750 WeakPolarHBondContact O-CE 3.31Å; Y691-M750 HydrophobicContact CD1-SD 4.02Å; R694-M750 HydrophobicContact CB-CE 4.29Å; L695-M750 HydrophobicContact CB-CE 3.95Å; L695-M750 HydrophobicContact CD1-CB 4.04Å; L695-M750 HydrophobicContact CD1-CE 4.27Å; L695-M750 HydrophobicContact CD1-CG 4.13Å; L698-M750 HydrophobicContact CD2-CB 4.21Å; L698-M750 HydrophobicContact CD2-CE 4.39Å; N746-M750 WeakPolarHBondContact O-CG 3.29Å; N746-M750 PolarHBondContact O-N 3.28Å; N746-M750 VanDerWaalsContact O-N 3.11Å; A747-M750 PolarHBondContact O-N 2.95Å; M750-S753 PolarHBondContact O-OG 3.29Å; M750-T754 PolarHBondContact O-N 3.4Å; M750-T754 PolarHBondContact O-OG1 3.38Å |
| 751 | L | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 177.4 | -70.2 | 170.2 | 0 | 0 | 0 | 111.9 | V674 V678 F740 A747 K748 D749 S753 T754 F755 L791 | V674-L751 HydrophobicContact CG1-CD2 3.83Å; V678-L751 HydrophobicContact CG1-CD1 4.15Å; V678-L751 HydrophobicContact CG1-CG 4.06Å; V678-L751 HydrophobicContact CG2-CD2 3.95Å; V678-L751 HydrophobicContact CG2-CG 4.19Å; F740-L751 HydrophobicContact CB-CD1 3.63Å; F740-L751 HydrophobicContact CD1-CD1 3.88Å; F740-L751 HydrophobicContact CD2-CD1 3.93Å; F740-L751 HydrophobicContact CG-CD1 3.53Å; A747-L751 WeakPolarHBondContact O-CG 3.4Å; A747-L751 PolarHBondContact O-N 3.38Å; K748-L751 PolarHBondContact O-N 3.28Å; D749-L751 PolarHBondContact O-N 3.05Å; L751-S753 VanDerWaalsContact C-N 3.34Å; L751-S753 PolarHBondContact O-N 3.14Å; L751-T754 PolarHBondContact O-N 3.01Å; L751-T754 VanDerWaalsContact O-N 3.09Å; L751-F755 HydrophobicContact CD2-CD2 4.26Å; L751-F755 HydrophobicContact CD2-CE2 3.89Å; L751-F755 WeakPolarHBondContact O-CD2 3.26Å; L751-F755 PolarHBondContact O-N 3.3Å; L751-L791 HydrophobicContact CB-CD1 4.18Å; L751-L791 HydrophobicContact CB-CD2 4.35Å |
| 752 | A | 90.3 | Very high | 89.6 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K748 D749 T754 K756 L791 H794 | K748-A752 WeakPolarHBondContact O-CB 3.41Å; K748-A752 PolarHBondContact O-N 3.03Å; D749-A752 PolarHBondContact O-N 2.87Å; A752-T754 PolarHBondContact O-N 3.39Å; A752-K756 WeakPolarHBondContact O-CB 3.41Å; A752-K756 PolarHBondContact O-N 3.21Å; A752-K756 VanDerWaalsContact O-N 3.11Å; A752-L791 HydrophobicContact CB-CD1 4.07Å; A752-H794 HydrophobicContact CB-CB 3.64Å |
| 753 | S | 90.4 | Very high | 90.1 | Very high | 48 Ų | 48 | 32.1 Ų | 32.1 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.6 | -29.1 | 178.2 | 80.9 | 0 | 0 | 0 | 0 | 113.2 | R699 D749 M750 L751 | R699-S753 PolarHBondContact NH2-OG 3.12Å; R699-S753 VanDerWaalsContact NH2-OG 3.16Å; D749-S753 WeakPolarHBondContact O-CB 3.49Å; D749-S753 PolarHBondContact O-N 2.94Å; M750-S753 PolarHBondContact O-OG 3.29Å; L751-S753 VanDerWaalsContact C-N 3.34Å; L751-S753 PolarHBondContact O-N 3.14Å |
| 754 | T | 93.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -86.3 | -41.8 | -176.2 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | L698 R699 V702 M750 L751 A752 P757 | L698-T754 HydrophobicContact CG-CG2 4.22Å; R699-T754 HydrophobicContact CG-CG2 4.18Å; V702-T754 HydrophobicContact CB-CG2 3.67Å; V702-T754 HydrophobicContact CG1-CG2 3.83Å; V702-T754 HydrophobicContact CG2-CG2 3.92Å; M750-T754 PolarHBondContact O-N 3.4Å; M750-T754 PolarHBondContact O-OG1 3.38Å; L751-T754 PolarHBondContact O-N 3.01Å; L751-T754 VanDerWaalsContact O-N 3.09Å; A752-T754 PolarHBondContact O-N 3.39Å; T754-P757 WeakPolarHBondContact O-CD 3.33Å |
| 755 | F | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -90 | -16.6 | -175.2 | -76.3 | -84.1 | 0 | 0 | 0 | 114.3 | V702 F733 L736 I737 L751 I758 L759 F783 M787 | V702-F755 HydrophobicContact CG1-CD1 4.31Å; V702-F755 HydrophobicContact CG1-CE1 3.86Å; V702-F755 HydrophobicContact CG1-CE2 4.48Å; V702-F755 HydrophobicContact CG1-CZ 3.96Å; V702-F755 HydrophobicContact CG2-CE2 4.27Å; V702-F755 HydrophobicContact CG2-CZ 3.99Å; F733-F755 HydrophobicContact CB-CE1 4.21Å; F733-F755 HydrophobicContact CD1-CE1 4.13Å; F733-F755 HydrophobicContact CD2-CD1 4.13Å; F733-F755 AromaticContact CD2-CE1 3.66Å; F733-F755 HydrophobicContact CD2-CE1 3.66Å; F733-F755 HydrophobicContact CE1-CE1 4.35Å; F733-F755 HydrophobicContact CE2-CD1 4.46Å; F733-F755 AromaticContact CE2-CE1 3.92Å; F733-F755 HydrophobicContact CE2-CE1 3.92Å; F733-F755 AromaticContact CG-CE1 3.76Å; F733-F755 HydrophobicContact CG-CE1 3.76Å; F733-F755 HydrophobicContact CZ-CE1 4.24Å; L736-F755 HydrophobicContact CD2-CE2 4.12Å; L736-F755 HydrophobicContact CD2-CZ 3.75Å; I737-F755 HydrophobicContact CD1-CB 4.12Å; I737-F755 HydrophobicContact CD1-CD1 3.51Å; I737-F755 HydrophobicContact CD1-CD2 3.99Å; I737-F755 HydrophobicContact CD1-CE1 3.82Å; I737-F755 HydrophobicContact CD1-CE2 4.29Å; I737-F755 HydrophobicContact CD1-CG 3.6Å; I737-F755 HydrophobicContact CD1-CZ 4.2Å; I737-F755 HydrophobicContact CG1-CD1 4.42Å; I737-F755 HydrophobicContact CG1-CD2 4.37Å; I737-F755 HydrophobicContact CG1-CE1 4.33Å; I737-F755 HydrophobicContact CG1-CE2 4.29Å; I737-F755 HydrophobicContact CG1-CG 4.44Å; I737-F755 HydrophobicContact CG1-CZ 4.27Å; L751-F755 HydrophobicContact CD2-CD2 4.26Å; L751-F755 HydrophobicContact CD2-CE2 3.89Å; L751-F755 WeakPolarHBondContact O-CD2 3.26Å; L751-F755 PolarHBondContact O-N 3.3Å; F755-I758 HydrophobicContact CD1-CD1 3.91Å; F755-I758 HydrophobicContact CE1-CD1 4.36Å; F755-I758 WeakPolarHBondContact O-CB 3.38Å; F755-I758 PolarHBondContact O-N 3.17Å; F755-I758 VanDerWaalsContact O-N 3.11Å; F755-L759 PolarHBondContact O-N 3.28Å; F755-F783 HydrophobicContact CD1-CZ 4.34Å; F755-M787 HydrophobicContact CB-CE 3.7Å; F755-M787 HydrophobicContact CB-SD 3.95Å |
| 756 | K | 91 | Very high | 91.2 | Very high | 78 Ų | 78 | 31.4 Ų | 31.4 | 34% | 0.339 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.6 | -40.4 | 179.3 | -176.2 | 169.4 | -176.1 | 166.2 | 0 | 114.4 | A752 I758 L759 T760 L795 | A752-K756 WeakPolarHBondContact O-CB 3.41Å; A752-K756 PolarHBondContact O-N 3.21Å; A752-K756 VanDerWaalsContact O-N 3.11Å; K756-I758 PolarHBondContact O-N 3.46Å; K756-L759 PolarHBondContact O-N 2.88Å; K756-T760 WeakPolarHBondContact O-CB 3.48Å; K756-T760 PolarHBondContact O-N 3.45Å; K756-T760 PolarHBondContact O-OG1 2.91Å; K756-L795 PolarHBondContact NZ-O 2.94Å; K756-L795 VanDerWaalsContact NZ-O 3.1Å |
| 757 | P | 92.7 | Very high | 91.4 | Very high | 72 Ų | 72 | 29.1 Ų | 29.1 | 47% | 0.468 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 173.9 | -24 | 35.1 | 0 | 0 | 0 | 113.3 | T754 T760 K761 | T754-P757 WeakPolarHBondContact O-CD 3.33Å; P757-T760 PolarHBondContact O-N 3.01Å; P757-K761 PolarHBondContact O-N 3.18Å |
| 758 | I | 94.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -45.2 | 178.2 | -63.7 | 156.4 | 0 | 0 | 0 | 110.3 | V702 A706 F709 L710 L730 F733 F755 K756 T760 K761 A762 F783 | V702-I758 HydrophobicContact CG1-CD1 3.51Å; A706-I758 HydrophobicContact CB-CD1 3.9Å; A706-I758 HydrophobicContact CB-CG1 3.98Å; F709-I758 HydrophobicContact CD1-CG2 4.33Å; F709-I758 HydrophobicContact CE1-CG2 3.98Å; L710-I758 HydrophobicContact CD2-CG1 4.25Å; L730-I758 HydrophobicContact CD2-CG2 4.23Å; F733-I758 HydrophobicContact CD2-CD1 4.28Å; F733-I758 HydrophobicContact CD2-CG2 4.21Å; F733-I758 HydrophobicContact CE2-CD1 3.65Å; F733-I758 HydrophobicContact CE2-CG2 4.34Å; F755-I758 HydrophobicContact CD1-CD1 3.91Å; F755-I758 HydrophobicContact CE1-CD1 4.36Å; F755-I758 WeakPolarHBondContact O-CB 3.38Å; F755-I758 PolarHBondContact O-N 3.17Å; F755-I758 VanDerWaalsContact O-N 3.11Å; K756-I758 PolarHBondContact O-N 3.46Å; I758-T760 VanDerWaalsContact C-N 3.31Å; I758-T760 PolarHBondContact O-N 3.31Å; I758-K761 PolarHBondContact O-N 3.21Å; I758-A762 WeakPolarHBondContact O-CB 3.22Å; I758-A762 PolarHBondContact O-N 3.01Å; I758-F783 HydrophobicContact CG2-CE1 4.21Å; I758-F783 HydrophobicContact CG2-CZ 4.25Å |
| 759 | L | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -42 | 174.8 | -179.4 | 59.1 | 0 | 0 | 0 | 111.6 | F755 K756 K761 A762 L763 F783 S784 M787 L795 F799 | F755-L759 PolarHBondContact O-N 3.28Å; K756-L759 PolarHBondContact O-N 2.88Å; L759-K761 VanDerWaalsContact C-N 3.34Å; L759-K761 PolarHBondContact O-N 3.12Å; L759-A762 WeakPolarHBondContact O-CB 3.26Å; L759-A762 PolarHBondContact O-N 3.44Å; L759-L763 HydrophobicContact CD1-CG 4.42Å; L759-L763 HydrophobicContact CG-CD1 4.45Å; L759-L763 WeakPolarHBondContact O-CG 3.48Å; L759-L763 PolarHBondContact O-N 3.3Å; L759-F783 HydrophobicContact CB-CE1 4.05Å; L759-F783 HydrophobicContact CD1-CD1 4.01Å; L759-F783 HydrophobicContact CD1-CE1 4.01Å; L759-S784 WeakPolarHBondContact CD1-OG 3.15Å; L759-M787 HydrophobicContact CD2-CB 4.14Å; L759-M787 HydrophobicContact CD2-CE 4.07Å; L759-M787 HydrophobicContact CD2-CG 4.25Å; L759-L795 HydrophobicContact CD2-CD2 4.06Å; L759-F799 HydrophobicContact CD2-CE1 3.63Å; L759-F799 HydrophobicContact CD2-CZ 4.01Å; L759-F799 HydrophobicContact CG-CE1 4.24Å; L759-F799 HydrophobicContact CG-CZ 4.14Å |
| 760 | T | 93.3 | Very high | 90.5 | Very high | 47 Ų | 47 | 29.5 Ų | 29.5 | 29% | 0.288 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | K756 P757 I758 L763 M764 | K756-T760 WeakPolarHBondContact O-CB 3.48Å; K756-T760 PolarHBondContact O-N 3.45Å; K756-T760 PolarHBondContact O-OG1 2.91Å; P757-T760 PolarHBondContact O-N 3.01Å; I758-T760 VanDerWaalsContact C-N 3.31Å; I758-T760 PolarHBondContact O-N 3.31Å; T760-L763 PolarHBondContact O-N 2.98Å; T760-M764 HydrophobicContact CG2-CE 3.81Å; T760-M764 WeakPolarHBondContact O-CG 3.32Å; T760-M764 PolarHBondContact O-N 3.03Å; T760-M764 VanDerWaalsContact O-N 3.13Å |
| 761 | K | 92.8 | Very high | 89.9 | Confident | 37 Ų | 37 | 32 Ų | 32 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 174.8 | -174.3 | 74.6 | 178.3 | -150.2 | 0 | 112.2 | F709 L710 L712 P757 I758 L759 L763 M764 I765 | F709-K761 HydrophobicContact CD1-CG 4.22Å; F709-K761 HydrophobicContact CE1-CB 3.89Å; F709-K761 HydrophobicContact CE1-CG 3.76Å; F709-K761 HydrophobicContact CZ-CG 4.27Å; L710-K761 HydrophobicContact CD2-CB 4.18Å; L710-K761 HydrophobicContact CD2-CG 4.44Å; L710-K761 PolarHBondContact O-NZ 3.43Å; L712-K761 PolarHBondContact O-NZ 3.01Å; P757-K761 PolarHBondContact O-N 3.18Å; I758-K761 PolarHBondContact O-N 3.21Å; L759-K761 VanDerWaalsContact C-N 3.34Å; L759-K761 PolarHBondContact O-N 3.12Å; K761-L763 VanDerWaalsContact C-N 3.33Å; K761-L763 PolarHBondContact O-N 3.37Å; K761-M764 WeakPolarHBondContact O-CB 3.2Å; K761-M764 PolarHBondContact O-N 3.2Å; K761-I765 HydrophobicContact CG-CD1 4.38Å; K761-I765 WeakPolarHBondContact O-CG1 3.17Å; K761-I765 PolarHBondContact O-N 3.1Å |
| 762 | A | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | F709 L730 I758 L759 I765 F766 V780 F783 | F709-A762 HydrophobicContact CZ-CB 4.08Å; L730-A762 HydrophobicContact CD1-CB 4.03Å; I758-A762 WeakPolarHBondContact O-CB 3.22Å; I758-A762 PolarHBondContact O-N 3.01Å; L759-A762 WeakPolarHBondContact O-CB 3.26Å; L759-A762 PolarHBondContact O-N 3.44Å; A762-I765 WeakPolarHBondContact O-CB 3.25Å; A762-I765 PolarHBondContact O-N 3.14Å; A762-F766 PolarHBondContact O-N 2.93Å; A762-V780 HydrophobicContact CB-CG1 4.06Å; A762-V780 HydrophobicContact CB-CG2 4.44Å; A762-F783 HydrophobicContact CB-CD1 4.45Å |
| 763 | L | 92.5 | Very high | 88.8 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -35.9 | 175.1 | -65.9 | 175.3 | 0 | 0 | 0 | 112.5 | L759 T760 K761 F766 N767 F799 M803 L806 F807 | L759-L763 HydrophobicContact CD1-CG 4.42Å; L759-L763 HydrophobicContact CG-CD1 4.45Å; L759-L763 WeakPolarHBondContact O-CG 3.48Å; L759-L763 PolarHBondContact O-N 3.3Å; T760-L763 PolarHBondContact O-N 2.98Å; K761-L763 VanDerWaalsContact C-N 3.33Å; K761-L763 PolarHBondContact O-N 3.37Å; L763-F766 PolarHBondContact O-N 3.42Å; L763-N767 PolarHBondContact O-N 3.03Å; L763-F799 HydrophobicContact CD1-CZ 3.97Å; L763-M803 HydrophobicContact CD1-CB 4.08Å; L763-M803 HydrophobicContact CD1-CG 3.86Å; L763-M803 HydrophobicContact CD1-SD 4.47Å; L763-M803 HydrophobicContact CD2-CG 3.86Å; L763-L806 HydrophobicContact CB-CD2 3.86Å; L763-L806 HydrophobicContact CD2-CD2 4.3Å; L763-L806 WeakPolarHBondContact O-CD2 3.46Å; L763-F807 HydrophobicContact CD2-CE2 3.79Å; L763-F807 HydrophobicContact CD2-CZ 3.93Å |
| 764 | M | 91.3 | Very high | 88.5 | Confident | 98 Ų | 98 | 36.5 Ų | 36.5 | 48% | 0.483 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 172 | -66.4 | 172.2 | -174 | 0 | 0 | 111.9 | L714 T760 K761 F766 N767 N768 | L714-M764 HydrophobicContact CD1-CB 3.92Å; T760-M764 HydrophobicContact CG2-CE 3.81Å; T760-M764 WeakPolarHBondContact O-CG 3.32Å; T760-M764 PolarHBondContact O-N 3.03Å; T760-M764 VanDerWaalsContact O-N 3.13Å; K761-M764 WeakPolarHBondContact O-CB 3.2Å; K761-M764 PolarHBondContact O-N 3.2Å; M764-F766 VanDerWaalsContact C-N 3.34Å; M764-N767 PolarHBondContact O-N 3.38Å; M764-N768 PolarHBondContact O-N 3.31Å |
| 765 | I | 89.4 | Confident | 88 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 174.6 | -69.2 | 166 | 0 | 0 | 0 | 110 | F709 L714 V722 K761 A762 N767 N768 F769 | F709-I765 HydrophobicContact CD2-CD1 4.16Å; F709-I765 HydrophobicContact CE1-CD1 4.46Å; F709-I765 HydrophobicContact CE2-CD1 3.32Å; F709-I765 HydrophobicContact CZ-CD1 3.51Å; L714-I765 HydrophobicContact CD1-CG1 4.27Å; L714-I765 HydrophobicContact CD2-CD1 4.4Å; L714-I765 HydrophobicContact CD2-CG1 3.6Å; V722-I765 HydrophobicContact CG1-CG2 3.98Å; K761-I765 HydrophobicContact CG-CD1 4.38Å; K761-I765 WeakPolarHBondContact O-CG1 3.17Å; K761-I765 PolarHBondContact O-N 3.1Å; A762-I765 WeakPolarHBondContact O-CB 3.25Å; A762-I765 PolarHBondContact O-N 3.14Å; I765-N767 VanDerWaalsContact C-N 3.34Å; I765-N767 PolarHBondContact O-N 3.18Å; I765-N768 PolarHBondContact O-N 3.5Å; I765-F769 HydrophobicContact CG2-CB 4.49Å; I765-F769 HydrophobicContact CG2-CD2 4.36Å; I765-F769 WeakPolarHBondContact O-CA 3.24Å; I765-F769 WeakPolarHBondContact O-CB 3.35Å; I765-F769 PolarHBondContact O-N 2.95Å |
| 766 | F | 89.1 | Confident | 87.7 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -40 | 176.9 | -178 | -99.3 | 0 | 0 | 0 | 112.7 | A762 L763 M764 N768 G770 A777 V780 F807 V810 | A762-F766 PolarHBondContact O-N 2.93Å; L763-F766 PolarHBondContact O-N 3.42Å; M764-F766 VanDerWaalsContact C-N 3.34Å; F766-N768 VanDerWaalsContact C-N 3.3Å; F766-N768 PolarHBondContact O-N 3.35Å; F766-G770 WeakPolarHBondContact O-CA 3.47Å; F766-G770 PolarHBondContact O-N 3.11Å; F766-A777 HydrophobicContact CD2-CB 4.3Å; F766-A777 HydrophobicContact CE2-CB 3.91Å; F766-V780 HydrophobicContact CB-CB 4.5Å; F766-V780 HydrophobicContact CB-CG1 3.89Å; F766-V780 HydrophobicContact CD2-CG1 4.5Å; F766-V780 HydrophobicContact CG-CG1 4.44Å; F766-F807 HydrophobicContact CD1-CD1 4.03Å; F766-F807 AromaticContact CD1-CE1 3.96Å; F766-F807 HydrophobicContact CD1-CE1 3.96Å; F766-F807 HydrophobicContact CD2-CE1 4.12Å; F766-F807 AromaticContact CE1-CD1 3.39Å; F766-F807 HydrophobicContact CE1-CD1 3.39Å; F766-F807 AromaticContact CE1-CE1 3.73Å; F766-F807 HydrophobicContact CE1-CE1 3.73Å; F766-F807 HydrophobicContact CE1-CG 4.24Å; F766-F807 HydrophobicContact CE2-CD1 4.1Å; F766-F807 AromaticContact CE2-CE1 3.89Å; F766-F807 HydrophobicContact CE2-CE1 3.89Å; F766-F807 HydrophobicContact CG-CE1 4.16Å; F766-F807 AromaticContact CZ-CD1 3.44Å; F766-F807 HydrophobicContact CZ-CD1 3.44Å; F766-F807 VanDerWaalsContact CZ-CD1 3.44Å; F766-F807 AromaticContact CZ-CE1 3.71Å; F766-F807 HydrophobicContact CZ-CE1 3.71Å; F766-V810 HydrophobicContact CD1-CB 4.32Å; F766-V810 HydrophobicContact CD1-CG1 4.34Å; F766-V810 HydrophobicContact CD1-CG2 4.14Å; F766-V810 HydrophobicContact CE1-CB 3.6Å; F766-V810 HydrophobicContact CE1-CG1 3.73Å; F766-V810 HydrophobicContact CE1-CG2 3.88Å; F766-V810 HydrophobicContact CZ-CB 4.17Å; F766-V810 HydrophobicContact CZ-CG1 3.94Å |
| 767 | N | 89.6 | Confident | 87.5 | Confident | 53 Ų | 53 | 34.7 Ų | 34.7 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.2 | -35.3 | 176.8 | -176.5 | 55.2 | 0 | 0 | 0 | 113.5 | L763 M764 I765 L806 R813 | L763-N767 PolarHBondContact O-N 3.03Å; M764-N767 PolarHBondContact O-N 3.38Å; I765-N767 VanDerWaalsContact C-N 3.34Å; I765-N767 PolarHBondContact O-N 3.18Å; N767-L806 HydrophobicContact CB-CD1 3.95Å; N767-L806 HydrophobicContact CB-CD2 4.44Å; N767-R813 PolarHBondContact O-NH1 3.5Å; N767-R813 PolarHBondContact OD1-NH2 3.38Å |
| 768 | N | 85.8 | Confident | 87.3 | Confident | 89 Ų | 89 | 33 Ų | 33 | 48% | 0.476 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -92.7 | -37.8 | -174.4 | -66.2 | -4.3 | 0 | 0 | 0 | 112.9 | M764 I765 F766 | M764-N768 PolarHBondContact O-N 3.31Å; I765-N768 PolarHBondContact O-N 3.5Å; F766-N768 VanDerWaalsContact C-N 3.3Å; F766-N768 PolarHBondContact O-N 3.35Å |
| 769 | F | 82.8 | Confident | 87 | Confident | 30 Ų | 30 | 33.8 Ų | 33.8 | 13% | 0.132 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -122.8 | -1.6 | -171.3 | -61.8 | -81.5 | 0 | 0 | 0 | 113.9 | L714 E719 V722 I765 Q771 S772 S773 M776 | L714-F769 HydrophobicContact CB-CE2 4.24Å; L714-F769 HydrophobicContact CD2-CE2 4.06Å; E719-F769 HydrophobicContact CG-CD1 4.31Å; V722-F769 HydrophobicContact CG1-CD2 4.29Å; V722-F769 HydrophobicContact CG1-CE2 4.47Å; I765-F769 HydrophobicContact CG2-CB 4.49Å; I765-F769 HydrophobicContact CG2-CD2 4.36Å; I765-F769 WeakPolarHBondContact O-CA 3.24Å; I765-F769 WeakPolarHBondContact O-CB 3.35Å; I765-F769 PolarHBondContact O-N 2.95Å; F769-Q771 PolarHBondContact O-N 2.82Å; F769-Q771 VanDerWaalsContact O-N 3.09Å; F769-S772 PolarHBondContact O-N 3.5Å; F769-S772 PolarHBondContact O-OG 2.96Å; F769-S773 PolarHBondContact O-N 3.46Å; F769-M776 HydrophobicContact CB-CE 3.75Å; F769-M776 HydrophobicContact CG-CE 4.45Å |
| 770 | G | 77.3 | Confident | 87 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 12% | 0.124 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | F766 | F766-G770 WeakPolarHBondContact O-CA 3.47Å; F766-G770 PolarHBondContact O-N 3.11Å |
| 771 | Q | 78.4 | Confident | 86.8 | Confident | 68 Ų | 68 | 31.6 Ų | 31.6 | 32% | 0.318 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -24.9 | 174.7 | -65.8 | -177.9 | -27.5 | 0 | 0 | 113.3 | F769 V810 R820 | F769-Q771 PolarHBondContact O-N 2.82Å; F769-Q771 VanDerWaalsContact O-N 3.09Å; Q771-V810 HydrophobicContact CG-CG1 4.2Å; Q771-V810 PolarHBondContact NE2-O 3.43Å; Q771-R820 PolarHBondContact O-NH2 2.77Å |
| 772 | S | 78.1 | Confident | 86.8 | Confident | 61 Ų | 61 | 33.1 Ų | 33.1 | 43% | 0.427 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -35.9 | -171.8 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | E719 F769 | E719-S772 VanDerWaalsContact CD-OG 3.31Å; E719-S772 WeakPolarHBondContact OE1-CB 3.32Å; E719-S772 PolarHBondContact OE1-OG 2.98Å; F769-S772 PolarHBondContact O-N 3.5Å; F769-S772 PolarHBondContact O-OG 2.96Å |
| 773 | S | 82.6 | Confident | 86.8 | Confident | 26 Ų | 26 | 33.1 Ų | 33.1 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | trans | -130.3 | 120.3 | 175 | -175.2 | 0 | 0 | 0 | 0 | 113.2 | F769 M776 A777 | F769-S773 PolarHBondContact O-N 3.46Å; S773-M776 PolarHBondContact O-N 3.42Å; S773-A777 PolarHBondContact O-N 3.01Å; S773-A777 VanDerWaalsContact O-N 3.09Å | ||
| 774 | I | 82.8 | Confident | 86.9 | Confident | 60 Ų | 60 | 32.5 Ų | 32.5 | 31% | 0.308 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 178.6 | -60.5 | 172.8 | 0 | 0 | 0 | 111.3 | M776 A777 I778 S819 | I774-M776 VanDerWaalsContact C-N 3.31Å; I774-M776 PolarHBondContact O-N 2.92Å; I774-A777 WeakPolarHBondContact O-CB 3.35Å; I774-A777 PolarHBondContact O-N 3.3Å; I774-A777 VanDerWaalsContact O-N 3.13Å; I774-I778 HydrophobicContact CG2-CD1 3.85Å; I774-I778 HydrophobicContact CG2-CG1 4.29Å; I774-I778 WeakPolarHBondContact O-CG1 3.43Å; I774-I778 PolarHBondContact O-N 3.19Å; I774-S819 VanDerWaalsContact CD1-CB 3.49Å; I774-S819 VanDerWaalsContact CD1-OG 3.31Å; I774-S819 WeakPolarHBondContact CD1-OG 3.47Å; I774-S819 WeakPolarHBondContact CG2-O 3.33Å |
| 775 | A | 84.5 | Confident | 87 | Confident | 46 Ų | 46 | 28 Ų | 28 | 38% | 0.38 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.4 | -38.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L727 T779 | L727-A775 HydrophobicContact CD1-CB 4.48Å; L727-A775 HydrophobicContact CD2-CB 4.04Å; L727-A775 WeakPolarHBondContact CD2-O 3.37Å; A775-T779 WeakPolarHBondContact O-CG2 3.47Å; A775-T779 PolarHBondContact O-N 3.18Å; A775-T779 PolarHBondContact O-OG1 3.43Å |
| 776 | M | 86.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.9 | -44 | 172.4 | -70 | -161.8 | -77.5 | 0 | 0 | 111.6 | E719 V722 A723 F769 S773 I774 I778 T779 V780 | E719-M776 HydrophobicContact CG-CE 4.11Å; V722-M776 HydrophobicContact CG1-SD 4.06Å; A723-M776 WeakPolarHBondContact CA-SD 3.48Å; A723-M776 HydrophobicContact CB-CE 4.2Å; A723-M776 HydrophobicContact CB-CG 3.85Å; A723-M776 HydrophobicContact CB-SD 3.7Å; F769-M776 HydrophobicContact CB-CE 3.75Å; F769-M776 HydrophobicContact CG-CE 4.45Å; S773-M776 PolarHBondContact O-N 3.42Å; I774-M776 VanDerWaalsContact C-N 3.31Å; I774-M776 PolarHBondContact O-N 2.92Å; M776-I778 PolarHBondContact O-N 3.36Å; M776-T779 WeakPolarHBondContact CA-OG1 3.39Å; M776-T779 PolarHBondContact O-N 3.16Å; M776-T779 PolarHBondContact O-OG1 3.32Å; M776-T779 VanDerWaalsContact O-OG1 3.06Å; M776-V780 WeakPolarHBondContact O-CB 3.45Å; M776-V780 VanDerWaalsContact O-CG2 3.3Å; M776-V780 WeakPolarHBondContact O-CG2 3.41Å; M776-V780 PolarHBondContact O-N 3.38Å |
| 777 | A | 86.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F766 S773 I774 A781 V823 | F766-A777 HydrophobicContact CD2-CB 4.3Å; F766-A777 HydrophobicContact CE2-CB 3.91Å; S773-A777 PolarHBondContact O-N 3.01Å; S773-A777 VanDerWaalsContact O-N 3.09Å; I774-A777 WeakPolarHBondContact O-CB 3.35Å; I774-A777 PolarHBondContact O-N 3.3Å; I774-A777 VanDerWaalsContact O-N 3.13Å; A777-A781 VanDerWaalsContact O-CB 3.25Å; A777-A781 WeakPolarHBondContact O-CB 3.35Å; A777-A781 PolarHBondContact O-N 3.33Å; A777-V823 HydrophobicContact CB-CG1 4.41Å; A777-V823 HydrophobicContact CB-CG2 3.71Å |
| 778 | I | 87.8 | Confident | 87.3 | Confident | 38 Ų | 38 | 25.3 Ų | 25.3 | 20% | 0.195 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.7 | -52.5 | 176.8 | -66.3 | 169.8 | 0 | 0 | 0 | 110.2 | I774 M776 V780 A781 E782 A822 V823 | I774-I778 HydrophobicContact CG2-CD1 3.85Å; I774-I778 HydrophobicContact CG2-CG1 4.29Å; I774-I778 WeakPolarHBondContact O-CG1 3.43Å; I774-I778 PolarHBondContact O-N 3.19Å; M776-I778 PolarHBondContact O-N 3.36Å; I778-V780 PolarHBondContact O-N 3.37Å; I778-A781 CarbonylContact O-C 3.59Å; I778-A781 PolarHBondContact O-N 2.74Å; I778-A781 VanDerWaalsContact O-N 3.11Å; I778-E782 HydrophobicContact CG2-CG 4.15Å; I778-E782 WeakPolarHBondContact CG2-OE1 3.44Å; I778-E782 WeakPolarHBondContact O-CB 3.26Å; I778-E782 WeakPolarHBondContact O-CG 3.23Å; I778-E782 PolarHBondContact O-N 3.26Å; I778-A822 HydrophobicContact CD1-CB 3.73Å; I778-A822 HydrophobicContact CG1-CB 4.23Å; I778-V823 HydrophobicContact CG1-CG2 3.6Å |
| 779 | T | 88.9 | Confident | 87.5 | Confident | 20 Ų | 20 | 24.7 Ų | 24.7 | 12% | 0.123 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64 | -36.7 | -177.2 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | L727 A775 M776 F783 | L727-T779 HydrophobicContact CD2-CG2 3.43Å; L727-T779 VanDerWaalsContact CD2-CG2 3.43Å; L727-T779 WeakPolarHBondContact CD2-OG1 3.29Å; A775-T779 WeakPolarHBondContact O-CG2 3.47Å; A775-T779 PolarHBondContact O-N 3.18Å; A775-T779 PolarHBondContact O-OG1 3.43Å; M776-T779 WeakPolarHBondContact CA-OG1 3.39Å; M776-T779 PolarHBondContact O-N 3.16Å; M776-T779 PolarHBondContact O-OG1 3.32Å; M776-T779 VanDerWaalsContact O-OG1 3.06Å; T779-F783 WeakPolarHBondContact O-CB 3.14Å; T779-F783 PolarHBondContact O-N 3.05Å |
| 780 | V | 92.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.7 | -40.9 | 173 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | T726 L730 A762 F766 M776 I778 S784 | T726-V780 HydrophobicContact CG2-CG2 4Å; L730-V780 HydrophobicContact CD1-CB 4.44Å; L730-V780 HydrophobicContact CD1-CG2 3.71Å; A762-V780 HydrophobicContact CB-CG1 4.06Å; A762-V780 HydrophobicContact CB-CG2 4.44Å; F766-V780 HydrophobicContact CB-CB 4.5Å; F766-V780 HydrophobicContact CB-CG1 3.89Å; F766-V780 HydrophobicContact CD2-CG1 4.5Å; F766-V780 HydrophobicContact CG-CG1 4.44Å; M776-V780 WeakPolarHBondContact O-CB 3.45Å; M776-V780 VanDerWaalsContact O-CG2 3.3Å; M776-V780 WeakPolarHBondContact O-CG2 3.41Å; M776-V780 PolarHBondContact O-N 3.38Å; I778-V780 PolarHBondContact O-N 3.37Å; V780-S784 VanDerWaalsContact O-CB 3.32Å; V780-S784 WeakPolarHBondContact O-CB 3.2Å; V780-S784 PolarHBondContact O-N 3.17Å; V780-S784 PolarHBondContact O-OG 2.89Å |
| 781 | A | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A777 I778 S784 L785 F807 V823 K826 | A777-A781 VanDerWaalsContact O-CB 3.25Å; A777-A781 WeakPolarHBondContact O-CB 3.35Å; A777-A781 PolarHBondContact O-N 3.33Å; I778-A781 CarbonylContact O-C 3.59Å; I778-A781 PolarHBondContact O-N 2.74Å; I778-A781 VanDerWaalsContact O-N 3.11Å; A781-S784 PolarHBondContact O-N 2.86Å; A781-L785 WeakPolarHBondContact O-CB 3.47Å; A781-L785 PolarHBondContact O-N 3.01Å; A781-F807 HydrophobicContact CB-CE1 4.12Å; A781-F807 HydrophobicContact CB-CZ 4.48Å; A781-V823 HydrophobicContact CB-CG1 4.36Å; A781-K826 HydrophobicContact CB-CB 3.91Å; A781-K826 HydrophobicContact CB-CG 4.47Å |
| 782 | E | 91.3 | Very high | 88.3 | Confident | 69 Ų | 69 | 21 Ų | 21 | 32% | 0.322 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.2 | -75.3 | 179.1 | 170.2 | 0 | 0 | 112.1 | T734 I778 L785 S786 K826 | T734-E782 HydrophobicContact CG2-CB 4.47Å; I778-E782 HydrophobicContact CG2-CG 4.15Å; I778-E782 WeakPolarHBondContact CG2-OE1 3.44Å; I778-E782 WeakPolarHBondContact O-CB 3.26Å; I778-E782 WeakPolarHBondContact O-CG 3.23Å; I778-E782 PolarHBondContact O-N 3.26Å; E782-L785 PolarHBondContact O-N 3.39Å; E782-S786 WeakPolarHBondContact O-CB 3.3Å; E782-S786 PolarHBondContact O-N 3.34Å; E782-K826 HydrophobicContact CG-CD 4.06Å; E782-K826 HydrophobicContact CG-CG 4Å; E782-K826 WeakPolarHBondContact OE1-CE 3.36Å |
| 783 | F | 94.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 175.9 | 179 | -115 | 0 | 0 | 0 | 111.9 | L730 F733 T734 I737 F755 I758 L759 A762 T779 L785 S786 M787 | L730-F783 HydrophobicContact CB-CB 4.28Å; L730-F783 HydrophobicContact CB-CG 4.48Å; L730-F783 HydrophobicContact CD1-CB 4.39Å; L730-F783 HydrophobicContact CD1-CD1 4.48Å; L730-F783 HydrophobicContact CD2-CD1 3.84Å; L730-F783 HydrophobicContact CD2-CD2 4.46Å; L730-F783 HydrophobicContact CD2-CE1 4.1Å; L730-F783 HydrophobicContact CD2-CG 4.04Å; F733-F783 HydrophobicContact CB-CD2 4.18Å; F733-F783 HydrophobicContact CB-CE2 3.69Å; F733-F783 HydrophobicContact CB-CZ 4.5Å; T734-F783 WeakPolarHBondContact OG1-CA 3.16Å; T734-F783 WeakPolarHBondContact OG1-CB 3.4Å; I737-F783 HydrophobicContact CD1-CE2 3.54Å; I737-F783 HydrophobicContact CD1-CZ 4.04Å; F755-F783 HydrophobicContact CD1-CZ 4.34Å; I758-F783 HydrophobicContact CG2-CE1 4.21Å; I758-F783 HydrophobicContact CG2-CZ 4.25Å; L759-F783 HydrophobicContact CB-CE1 4.05Å; L759-F783 HydrophobicContact CD1-CD1 4.01Å; L759-F783 HydrophobicContact CD1-CE1 4.01Å; A762-F783 HydrophobicContact CB-CD1 4.45Å; T779-F783 WeakPolarHBondContact O-CB 3.14Å; T779-F783 PolarHBondContact O-N 3.05Å; F783-L785 VanDerWaalsContact C-N 3.32Å; F783-L785 PolarHBondContact O-N 3.38Å; F783-S786 PolarHBondContact O-N 3.43Å; F783-M787 HydrophobicContact CE1-CG 4.21Å; F783-M787 HydrophobicContact CE2-CG 4.09Å; F783-M787 HydrophobicContact CZ-CG 3.93Å; F783-M787 HydrophobicContact CZ-SD 4.3Å; F783-M787 WeakPolarHBondContact O-CB 3.45Å; F783-M787 WeakPolarHBondContact O-CG 3.34Å; F783-M787 PolarHBondContact O-N 3.39Å |
| 784 | S | 93.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | L759 V780 A781 M787 L788 | L759-S784 WeakPolarHBondContact CD1-OG 3.15Å; V780-S784 VanDerWaalsContact O-CB 3.32Å; V780-S784 WeakPolarHBondContact O-CB 3.2Å; V780-S784 PolarHBondContact O-N 3.17Å; V780-S784 PolarHBondContact O-OG 2.89Å; A781-S784 PolarHBondContact O-N 2.86Å; S784-M787 PolarHBondContact O-N 2.71Å; S784-L788 WeakPolarHBondContact O-CB 3.31Å; S784-L788 PolarHBondContact O-N 2.75Å |
| 785 | L | 92.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.9 | -44.7 | 175.9 | 175.7 | 62.2 | 0 | 0 | 0 | 111.9 | A781 E782 F783 L788 R789 K826 Q829 M830 L833 | A781-L785 WeakPolarHBondContact O-CB 3.47Å; A781-L785 PolarHBondContact O-N 3.01Å; E782-L785 PolarHBondContact O-N 3.39Å; F783-L785 VanDerWaalsContact C-N 3.32Å; F783-L785 PolarHBondContact O-N 3.38Å; L785-L788 PolarHBondContact O-N 3.13Å; L785-R789 HydrophobicContact CD1-CG 4.36Å; L785-R789 WeakPolarHBondContact O-CB 3.24Å; L785-R789 VanDerWaalsContact O-CG 3.3Å; L785-R789 WeakPolarHBondContact O-CG 3.08Å; L785-R789 PolarHBondContact O-N 3.39Å; L785-K826 HydrophobicContact CD2-CB 4.18Å; L785-K826 HydrophobicContact CD2-CD 4.14Å; L785-Q829 HydrophobicContact CD1-CB 3.93Å; L785-Q829 HydrophobicContact CD2-CB 3.86Å; L785-M830 HydrophobicContact CB-CG 3.9Å; L785-M830 HydrophobicContact CB-SD 4.42Å; L785-M830 HydrophobicContact CD1-CB 4.32Å; L785-M830 HydrophobicContact CD1-CG 3.54Å; L785-M830 HydrophobicContact CG-CG 4.28Å; L785-L833 HydrophobicContact CD1-CD1 3.47Å; L785-L833 VanDerWaalsContact CD1-CD1 3.47Å |
| 786 | S | 91.7 | Very high | 88.7 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 175 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | T734 E738 E782 F783 L788 R789 T790 | T734-S786 PolarHBondContact O-OG 2.94Å; T734-S786 VanDerWaalsContact O-OG 3.1Å; E738-S786 PolarHBondContact N-OG 2.87Å; E782-S786 WeakPolarHBondContact O-CB 3.3Å; E782-S786 PolarHBondContact O-N 3.34Å; F783-S786 PolarHBondContact O-N 3.43Å; S786-L788 VanDerWaalsContact C-N 3.34Å; S786-L788 PolarHBondContact O-N 3.19Å; S786-R789 PolarHBondContact O-N 3.45Å; S786-T790 PolarHBondContact O-N 2.96Å; S786-T790 PolarHBondContact O-OG1 2.9Å |
| 787 | M | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | 173 | -77.2 | -69.4 | -73.5 | 0 | 0 | 112.4 | I737 F755 L759 F783 S784 L791 L795 | I737-M787 HydrophobicContact CD1-CG 4.15Å; I737-M787 HydrophobicContact CD1-SD 3.24Å; I737-M787 WeakPolarHBondContact CD1-SD 3.29Å; I737-M787 HydrophobicContact CG1-SD 4.34Å; I737-M787 HydrophobicContact CG2-SD 3.93Å; F755-M787 HydrophobicContact CB-CE 3.7Å; F755-M787 HydrophobicContact CB-SD 3.95Å; L759-M787 HydrophobicContact CD2-CB 4.14Å; L759-M787 HydrophobicContact CD2-CE 4.07Å; L759-M787 HydrophobicContact CD2-CG 4.25Å; F783-M787 HydrophobicContact CE1-CG 4.21Å; F783-M787 HydrophobicContact CE2-CG 4.09Å; F783-M787 HydrophobicContact CZ-CG 3.93Å; F783-M787 HydrophobicContact CZ-SD 4.3Å; F783-M787 WeakPolarHBondContact O-CB 3.45Å; F783-M787 WeakPolarHBondContact O-CG 3.34Å; F783-M787 PolarHBondContact O-N 3.39Å; S784-M787 PolarHBondContact O-N 2.71Å; M787-L791 HydrophobicContact CE-CD1 3.89Å; M787-L791 WeakPolarHBondContact O-CA 3.28Å; M787-L791 WeakPolarHBondContact O-CB 3.2Å; M787-L791 PolarHBondContact O-N 3.37Å; M787-L791 HydrophobicContact SD-CD1 3.96Å; M787-L795 HydrophobicContact CE-CD2 4.02Å |
| 788 | L | 90.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.1 | -37.1 | 178.3 | -176.8 | 66.5 | 0 | 0 | 0 | 112.5 | S784 L785 S786 P792 I800 M803 M830 L833 I834 | S784-L788 WeakPolarHBondContact O-CB 3.31Å; S784-L788 PolarHBondContact O-N 2.75Å; L785-L788 PolarHBondContact O-N 3.13Å; S786-L788 VanDerWaalsContact C-N 3.34Å; S786-L788 PolarHBondContact O-N 3.19Å; L788-P792 WeakPolarHBondContact O-CB 3.2Å; L788-P792 WeakPolarHBondContact O-CD 3.19Å; L788-I800 HydrophobicContact CD1-CD1 3.88Å; L788-I800 HydrophobicContact CD1-CG1 4.17Å; L788-I800 HydrophobicContact CD1-CG2 4.31Å; L788-M803 HydrophobicContact CD2-CE 4.37Å; L788-M830 HydrophobicContact CD2-CB 3.9Å; L788-M830 HydrophobicContact CD2-CG 3.98Å; L788-L833 HydrophobicContact CD2-CB 4.41Å; L788-I834 HydrophobicContact CD1-CG1 4.36Å; L788-I834 HydrophobicContact CD2-CD1 4.08Å; L788-I834 HydrophobicContact CD2-CG1 3.95Å |
| 789 | R | 89.6 | Confident | 88.5 | Confident | 75 Ų | 75 | 28.8 Ų | 28.8 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65 | -43 | 175.8 | -77.3 | 175.4 | 176.4 | 165.2 | 4 | 112.1 | E738 L785 S786 L833 | E738-R789 IonicContact OE1-NH1 3.35Å; L785-R789 HydrophobicContact CD1-CG 4.36Å; L785-R789 WeakPolarHBondContact O-CB 3.24Å; L785-R789 VanDerWaalsContact O-CG 3.3Å; L785-R789 WeakPolarHBondContact O-CG 3.08Å; L785-R789 PolarHBondContact O-N 3.39Å; S786-R789 PolarHBondContact O-N 3.45Å; R789-L833 HydrophobicContact CB-CD1 4.43Å; R789-L833 HydrophobicContact CG-CD1 3.27Å; R789-L833 HydrophobicContact CG-CD2 4.24Å; R789-L833 HydrophobicContact CG-CG 4.39Å |
| 790 | T | 87.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -86.3 | -39.5 | -174.5 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | I737 F740 K748 S786 P792 | I737-T790 HydrophobicContact CG2-CG2 4.11Å; I737-T790 WeakPolarHBondContact O-CG2 3.36Å; I737-T790 PolarHBondContact O-OG1 3.33Å; F740-T790 HydrophobicContact CB-CG2 4.02Å; K748-T790 WeakPolarHBondContact CD-O 3.49Å; K748-T790 WeakPolarHBondContact CE-O 3.41Å; K748-T790 PolarHBondContact NZ-O 3.34Å; S786-T790 PolarHBondContact O-N 2.96Å; S786-T790 PolarHBondContact O-OG1 2.9Å; T790-P792 WeakPolarHBondContact O-CD 3.27Å |
| 791 | L | 87.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -123 | 43.8 | -168.6 | -53.4 | 174.2 | 0 | 0 | 0 | 114.3 | K748 L751 A752 M787 T793 H794 L795 | K748-L791 HydrophobicContact CB-CD2 3.48Å; K748-L791 VanDerWaalsContact CB-CD2 3.48Å; K748-L791 HydrophobicContact CD-CD2 4.23Å; K748-L791 HydrophobicContact CG-CD2 3.64Å; K748-L791 WeakPolarHBondContact O-CD2 3.34Å; L751-L791 HydrophobicContact CB-CD1 4.18Å; L751-L791 HydrophobicContact CB-CD2 4.35Å; A752-L791 HydrophobicContact CB-CD1 4.07Å; M787-L791 HydrophobicContact CE-CD1 3.89Å; M787-L791 WeakPolarHBondContact O-CA 3.28Å; M787-L791 WeakPolarHBondContact O-CB 3.2Å; M787-L791 PolarHBondContact O-N 3.37Å; M787-L791 HydrophobicContact SD-CD1 3.96Å; L791-T793 PolarHBondContact O-N 3.24Å; L791-H794 PolarHBondContact O-N 3.12Å; L791-L795 HydrophobicContact CB-CG 4.5Å; L791-L795 WeakPolarHBondContact O-CG 3.43Å; L791-L795 PolarHBondContact O-N 3.11Å | ||
| 792 | P | 82 | Confident | 88.1 | Confident | 32 Ų | 32 | 37.8 Ų | 37.8 | 21% | 0.208 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | -170.3 | 23.8 | -33.7 | 0 | 0 | 0 | 113.9 | L788 T790 I800 Q837 | L788-P792 WeakPolarHBondContact O-CB 3.2Å; L788-P792 WeakPolarHBondContact O-CD 3.19Å; T790-P792 WeakPolarHBondContact O-CD 3.27Å; P792-I800 WeakPolarHBondContact O-CD1 3.34Å; P792-Q837 HydrophobicContact CB-CG 4.39Å |
| 793 | T | 81.5 | Confident | 88.1 | Confident | 111 Ų | 111 | 34.6 Ų | 34.6 | 68% | 0.681 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -76.2 | -31.7 | -177.6 | 47 | 0 | 0 | 0 | 0 | 113 | L791 | L791-T793 PolarHBondContact O-N 3.24Å |
| 794 | H | 83.3 | Confident | 87.8 | Confident | 52 Ų | 52 | 34.6 Ų | 34.6 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -85.1 | -17.6 | -170.5 | -60.1 | -81.1 | 0 | 0 | 0 | 113.6 | D749 A752 L791 | D749-H794 IonicContact OD1-CE1 3.48Å; D749-H794 PolarHBondContact OD1-CE1 3.49Å; D749-H794 IonicContact OD1-CG 2.84Å; D749-H794 IonicContact OD1-ND1 3.3Å; D749-H794 PolarHBondContact OD1-ND1 2.76Å; D749-H794 IonicContact OD2-CE1 3.84Å; D749-H794 IonicContact OD2-ND1 2.92Å; A752-H794 HydrophobicContact CB-CB 3.64Å; L791-H794 PolarHBondContact O-N 3.12Å |
| 795 | L | 84.8 | Confident | 87.6 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.2 | -34.6 | 173.8 | -73.8 | 174.3 | 0 | 0 | 0 | 112.7 | K756 L759 M787 L791 F799 I800 | K756-L795 PolarHBondContact NZ-O 2.94Å; K756-L795 VanDerWaalsContact NZ-O 3.1Å; L759-L795 HydrophobicContact CD2-CD2 4.06Å; M787-L795 HydrophobicContact CE-CD2 4.02Å; L791-L795 HydrophobicContact CB-CG 4.5Å; L791-L795 WeakPolarHBondContact O-CG 3.43Å; L791-L795 PolarHBondContact O-N 3.11Å; L795-F799 HydrophobicContact CB-CD1 4.26Å; L795-F799 HydrophobicContact CD2-CD1 4.35Å; L795-F799 HydrophobicContact CD2-CE1 4.25Å; L795-I800 HydrophobicContact CB-CD1 4.33Å; L795-I800 HydrophobicContact CB-CG1 4.17Å |
| 796 | G | 85 | Confident | 87.5 | Confident | 30 Ų | 30 | 39.4 Ų | 39.4 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | trans | 92.7 | 138.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q798 F799 I800 | G796-Q798 VanDerWaalsContact C-N 3.32Å; G796-Q798 PolarHBondContact O-N 3.24Å; G796-F799 PolarHBondContact O-N 3.43Å; G796-I800 PolarHBondContact O-N 3.33Å; G796-I800 VanDerWaalsContact O-N 3.12Å | ||
| 797 | A | 83.4 | Confident | 87.4 | Confident | 62 Ų | 62 | 39.3 Ų | 39.3 | 51% | 0.512 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.9 | -37.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I800 K801 A841 | A797-I800 PolarHBondContact O-N 3.43Å; A797-K801 WeakPolarHBondContact O-CB 3.5Å; A797-K801 PolarHBondContact O-N 3.44Å; A797-A841 HydrophobicContact CB-CB 4.24Å |
| 798 | Q | 86.6 | Confident | 87.1 | Confident | 115 Ų | 115 | 40.5 Ų | 40.5 | 54% | 0.537 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 178.7 | -179 | 60 | 23.1 | 0 | 0 | 112 | G796 K801 E802 | G796-Q798 VanDerWaalsContact C-N 3.32Å; G796-Q798 PolarHBondContact O-N 3.24Å; Q798-K801 WeakPolarHBondContact O-CB 3.33Å; Q798-K801 PolarHBondContact O-N 3.03Å; Q798-E802 WeakPolarHBondContact CG-OE1 3.46Å; Q798-E802 PolarHBondContact NE2-OE1 2.96Å; Q798-E802 WeakPolarHBondContact O-CG 3.43Å; Q798-E802 PolarHBondContact O-N 2.94Å |
| 799 | F | 89.1 | Confident | 87 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 13% | 0.127 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 177.8 | -178.9 | -94.6 | 0 | 0 | 0 | 111.5 | L759 L763 L795 G796 K801 E802 M803 | L759-F799 HydrophobicContact CD2-CE1 3.63Å; L759-F799 HydrophobicContact CD2-CZ 4.01Å; L759-F799 HydrophobicContact CG-CE1 4.24Å; L759-F799 HydrophobicContact CG-CZ 4.14Å; L763-F799 HydrophobicContact CD1-CZ 3.97Å; L795-F799 HydrophobicContact CB-CD1 4.26Å; L795-F799 HydrophobicContact CD2-CD1 4.35Å; L795-F799 HydrophobicContact CD2-CE1 4.25Å; G796-F799 PolarHBondContact O-N 3.43Å; F799-K801 VanDerWaalsContact C-N 3.29Å; F799-K801 PolarHBondContact O-N 2.97Å; F799-E802 PolarHBondContact O-N 2.99Å; F799-M803 WeakPolarHBondContact O-CB 3.49Å; F799-M803 PolarHBondContact O-N 3.37Å |
| 800 | I | 87.9 | Confident | 86.8 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 174.4 | -66.2 | 170.6 | 0 | 0 | 0 | 110.6 | L788 P792 L795 G796 A797 M803 I804 I834 | L788-I800 HydrophobicContact CD1-CD1 3.88Å; L788-I800 HydrophobicContact CD1-CG1 4.17Å; L788-I800 HydrophobicContact CD1-CG2 4.31Å; P792-I800 WeakPolarHBondContact O-CD1 3.34Å; L795-I800 HydrophobicContact CB-CD1 4.33Å; L795-I800 HydrophobicContact CB-CG1 4.17Å; G796-I800 PolarHBondContact O-N 3.33Å; G796-I800 VanDerWaalsContact O-N 3.12Å; A797-I800 PolarHBondContact O-N 3.43Å; I800-M803 PolarHBondContact O-N 3.13Å; I800-I804 HydrophobicContact CG2-CG1 4.41Å; I800-I804 WeakPolarHBondContact O-CG1 3.14Å; I800-I804 PolarHBondContact O-N 3.21Å; I800-I834 HydrophobicContact CG2-CD1 3.69Å; I800-I834 HydrophobicContact CG2-CG1 4.14Å |
| 801 | K | 85.9 | Confident | 86.5 | Confident | 96 Ų | 96 | 39.7 Ų | 39.7 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 176.6 | 168.9 | 168.3 | -173.2 | -174.8 | 0 | 112.4 | A797 Q798 F799 T805 L845 | A797-K801 WeakPolarHBondContact O-CB 3.5Å; A797-K801 PolarHBondContact O-N 3.44Å; Q798-K801 WeakPolarHBondContact O-CB 3.33Å; Q798-K801 PolarHBondContact O-N 3.03Å; F799-K801 VanDerWaalsContact C-N 3.29Å; F799-K801 PolarHBondContact O-N 2.97Å; K801-T805 WeakPolarHBondContact O-CB 3.37Å; K801-T805 PolarHBondContact O-N 2.89Å; K801-T805 PolarHBondContact O-OG1 3.09Å; K801-L845 HydrophobicContact CB-CD1 4.16Å; K801-L845 HydrophobicContact CB-CD2 3.91Å; K801-L845 HydrophobicContact CB-CG 4.31Å; K801-L845 HydrophobicContact CD-CD2 4.25Å; K801-L845 HydrophobicContact CG-CD2 3.68Å; K801-L845 HydrophobicContact CG-CG 4.44Å |
| 802 | E | 88.9 | Confident | 86.2 | Confident | 105 Ų | 105 | 42.4 Ų | 42.4 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 176.7 | -72.7 | 165.8 | -165.1 | 0 | 0 | 111.6 | Q798 F799 T805 L806 | Q798-E802 WeakPolarHBondContact CG-OE1 3.46Å; Q798-E802 PolarHBondContact NE2-OE1 2.96Å; Q798-E802 WeakPolarHBondContact O-CG 3.43Å; Q798-E802 PolarHBondContact O-N 2.94Å; F799-E802 PolarHBondContact O-N 2.99Å; E802-T805 PolarHBondContact O-N 2.89Å; E802-L806 WeakPolarHBondContact O-CB 3.32Å; E802-L806 PolarHBondContact O-N 3.11Å |
| 803 | M | 90.6 | Very high | 86.1 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -50.2 | 176.8 | -178.8 | -178.8 | 78.9 | 0 | 0 | 112.3 | L763 L788 F799 I800 L806 F807 M830 | L763-M803 HydrophobicContact CD1-CB 4.08Å; L763-M803 HydrophobicContact CD1-CG 3.86Å; L763-M803 HydrophobicContact CD1-SD 4.47Å; L763-M803 HydrophobicContact CD2-CG 3.86Å; L788-M803 HydrophobicContact CD2-CE 4.37Å; F799-M803 WeakPolarHBondContact O-CB 3.49Å; F799-M803 PolarHBondContact O-N 3.37Å; I800-M803 PolarHBondContact O-N 3.13Å; M803-L806 WeakPolarHBondContact O-CB 3.47Å; M803-L806 PolarHBondContact O-N 2.9Å; M803-F807 HydrophobicContact CG-CD2 3.94Å; M803-F807 HydrophobicContact CG-CE2 3.67Å; M803-F807 WeakPolarHBondContact O-CD2 3.33Å; M803-F807 PolarHBondContact O-N 3.01Å; M803-F807 HydrophobicContact SD-CE2 4.36Å; M803-M830 HydrophobicContact CE-SD 4.24Å |
| 804 | I | 88.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 179.7 | -69.6 | -56.2 | 0 | 0 | 0 | 111.9 | I800 L806 F807 I808 M830 F831 I834 | I800-I804 HydrophobicContact CG2-CG1 4.41Å; I800-I804 WeakPolarHBondContact O-CG1 3.14Å; I800-I804 PolarHBondContact O-N 3.21Å; I804-L806 PolarHBondContact O-N 3.06Å; I804-F807 PolarHBondContact O-N 3.42Å; I804-I808 HydrophobicContact CG2-CD1 3.8Å; I804-I808 HydrophobicContact CG2-CG1 4.43Å; I804-I808 WeakPolarHBondContact O-CG1 3.45Å; I804-I808 PolarHBondContact O-N 3.46Å; I804-M830 HydrophobicContact CD1-CB 4.12Å; I804-F831 HydrophobicContact CD1-CD1 4.15Å; I804-F831 HydrophobicContact CD1-CE1 4.11Å; I804-F831 HydrophobicContact CG2-CD1 4.32Å; I804-F831 HydrophobicContact CG2-CE1 3.73Å; I804-I834 HydrophobicContact CD1-CD1 3.58Å; I804-I834 HydrophobicContact CG1-CD1 3.39Å |
| 805 | T | 89.6 | Confident | 84.7 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.2 | -38 | 176.7 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | K801 E802 S809 | K801-T805 WeakPolarHBondContact O-CB 3.37Å; K801-T805 PolarHBondContact O-N 2.89Å; K801-T805 PolarHBondContact O-OG1 3.09Å; E802-T805 PolarHBondContact O-N 2.89Å; T805-S809 VanDerWaalsContact O-CB 3.26Å; T805-S809 WeakPolarHBondContact O-CB 3.38Å; T805-S809 PolarHBondContact O-N 3.39Å; T805-S809 PolarHBondContact O-OG 3.25Å |
| 806 | L | 90.6 | Very high | 83.9 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -50.3 | 174.8 | -176.5 | 68.7 | 0 | 0 | 0 | 111.6 | L763 N767 E802 M803 I804 I808 S809 V810 | L763-L806 HydrophobicContact CB-CD2 3.86Å; L763-L806 HydrophobicContact CD2-CD2 4.3Å; L763-L806 WeakPolarHBondContact O-CD2 3.46Å; N767-L806 HydrophobicContact CB-CD1 3.95Å; N767-L806 HydrophobicContact CB-CD2 4.44Å; E802-L806 WeakPolarHBondContact O-CB 3.32Å; E802-L806 PolarHBondContact O-N 3.11Å; M803-L806 WeakPolarHBondContact O-CB 3.47Å; M803-L806 PolarHBondContact O-N 2.9Å; I804-L806 PolarHBondContact O-N 3.06Å; L806-I808 PolarHBondContact O-N 3.48Å; L806-S809 PolarHBondContact O-N 3.26Å; L806-S809 VanDerWaalsContact O-N 3.17Å; L806-S809 PolarHBondContact O-OG 2.99Å; L806-V810 HydrophobicContact CD1-CG2 4.02Å; L806-V810 HydrophobicContact CG-CG2 4.32Å; L806-V810 WeakPolarHBondContact O-CG2 3.48Å; L806-V810 PolarHBondContact O-N 3.04Å |
| 807 | F | 89.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.2 | -47.7 | 177.1 | -80.7 | -67.1 | 0 | 0 | 0 | 112.1 | L763 F766 A781 M803 I804 S809 S811 I827 M830 | L763-F807 HydrophobicContact CD2-CE2 3.79Å; L763-F807 HydrophobicContact CD2-CZ 3.93Å; F766-F807 HydrophobicContact CD1-CD1 4.03Å; F766-F807 AromaticContact CD1-CE1 3.96Å; F766-F807 HydrophobicContact CD1-CE1 3.96Å; F766-F807 HydrophobicContact CD2-CE1 4.12Å; F766-F807 AromaticContact CE1-CD1 3.39Å; F766-F807 HydrophobicContact CE1-CD1 3.39Å; F766-F807 AromaticContact CE1-CE1 3.73Å; F766-F807 HydrophobicContact CE1-CE1 3.73Å; F766-F807 HydrophobicContact CE1-CG 4.24Å; F766-F807 HydrophobicContact CE2-CD1 4.1Å; F766-F807 AromaticContact CE2-CE1 3.89Å; F766-F807 HydrophobicContact CE2-CE1 3.89Å; F766-F807 HydrophobicContact CG-CE1 4.16Å; F766-F807 AromaticContact CZ-CD1 3.44Å; F766-F807 HydrophobicContact CZ-CD1 3.44Å; F766-F807 VanDerWaalsContact CZ-CD1 3.44Å; F766-F807 AromaticContact CZ-CE1 3.71Å; F766-F807 HydrophobicContact CZ-CE1 3.71Å; A781-F807 HydrophobicContact CB-CE1 4.12Å; A781-F807 HydrophobicContact CB-CZ 4.48Å; M803-F807 HydrophobicContact CG-CD2 3.94Å; M803-F807 HydrophobicContact CG-CE2 3.67Å; M803-F807 WeakPolarHBondContact O-CD2 3.33Å; M803-F807 PolarHBondContact O-N 3.01Å; M803-F807 HydrophobicContact SD-CE2 4.36Å; I804-F807 PolarHBondContact O-N 3.42Å; F807-S809 PolarHBondContact O-N 3.4Å; F807-S811 WeakPolarHBondContact O-CB 3.32Å; F807-S811 PolarHBondContact O-N 3.12Å; F807-S811 VanDerWaalsContact O-N 3.1Å; F807-S811 PolarHBondContact O-OG 3.43Å; F807-S811 VanDerWaalsContact O-OG 3.1Å; F807-I827 HydrophobicContact CB-CD1 4.2Å; F807-I827 HydrophobicContact CB-CG1 4.33Å; F807-I827 HydrophobicContact CD1-CD1 4.12Å; F807-I827 HydrophobicContact CD1-CG1 4.15Å; F807-I827 HydrophobicContact CG-CD1 4.5Å; F807-I827 HydrophobicContact CG-CG1 4.37Å; F807-M830 HydrophobicContact CD1-CE 4.29Å; F807-M830 HydrophobicContact CD2-CE 3.76Å; F807-M830 HydrophobicContact CD2-SD 4.31Å; F807-M830 HydrophobicContact CE1-CE 4.25Å; F807-M830 HydrophobicContact CE2-CE 3.71Å; F807-M830 HydrophobicContact CE2-SD 4Å; F807-M830 HydrophobicContact CG-CE 4.07Å; F807-M830 HydrophobicContact CZ-CE 3.98Å |
| 808 | I | 87.2 | Confident | 82.1 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 175.7 | -67.7 | 170.1 | 0 | 0 | 0 | 110.5 | I804 L806 V810 S811 S812 F831 F852 | I804-I808 HydrophobicContact CG2-CD1 3.8Å; I804-I808 HydrophobicContact CG2-CG1 4.43Å; I804-I808 WeakPolarHBondContact O-CG1 3.45Å; I804-I808 PolarHBondContact O-N 3.46Å; L806-I808 PolarHBondContact O-N 3.48Å; I808-V810 PolarHBondContact O-N 2.64Å; I808-S811 PolarHBondContact O-N 2.85Å; I808-S812 VanDerWaalsContact O-CB 3.27Å; I808-S812 WeakPolarHBondContact O-CB 3.32Å; I808-S812 PolarHBondContact O-N 3.49Å; I808-S812 PolarHBondContact O-OG 3.48Å; I808-F831 HydrophobicContact CD1-CE1 4.27Å; I808-F831 HydrophobicContact CD1-CZ 3.98Å; I808-F831 HydrophobicContact CG1-CE1 4.31Å; I808-F831 HydrophobicContact CG1-CZ 3.82Å; I808-F852 HydrophobicContact CG1-CD2 4.47Å; I808-F852 HydrophobicContact CG1-CG 4.3Å; I808-F852 HydrophobicContact CG2-CB 4.44Å; I808-F852 HydrophobicContact CG2-CD2 3.78Å; I808-F852 HydrophobicContact CG2-CE2 4.26Å; I808-F852 HydrophobicContact CG2-CG 4.26Å |
| 809 | S | 87.5 | Confident | 81 | Confident | 37 Ų | 37 | 56 Ų | 56 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | -176 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | T805 L806 F807 S812 R813 | T805-S809 VanDerWaalsContact O-CB 3.26Å; T805-S809 WeakPolarHBondContact O-CB 3.38Å; T805-S809 PolarHBondContact O-N 3.39Å; T805-S809 PolarHBondContact O-OG 3.25Å; L806-S809 PolarHBondContact O-N 3.26Å; L806-S809 VanDerWaalsContact O-N 3.17Å; L806-S809 PolarHBondContact O-OG 2.99Å; F807-S809 PolarHBondContact O-N 3.4Å; S809-S812 PolarHBondContact O-N 2.97Å; S809-S812 PolarHBondContact O-OG 3.43Å; S809-R813 WeakPolarHBondContact O-CG 3.06Å; S809-R813 PolarHBondContact O-N 3.38Å |
| 810 | V | 85.1 | Confident | 80.1 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.1 | -40.9 | -178.3 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | F766 Q771 L806 I808 S812 R813 | F766-V810 HydrophobicContact CD1-CB 4.32Å; F766-V810 HydrophobicContact CD1-CG1 4.34Å; F766-V810 HydrophobicContact CD1-CG2 4.14Å; F766-V810 HydrophobicContact CE1-CB 3.6Å; F766-V810 HydrophobicContact CE1-CG1 3.73Å; F766-V810 HydrophobicContact CE1-CG2 3.88Å; F766-V810 HydrophobicContact CZ-CB 4.17Å; F766-V810 HydrophobicContact CZ-CG1 3.94Å; Q771-V810 HydrophobicContact CG-CG1 4.2Å; Q771-V810 PolarHBondContact NE2-O 3.43Å; L806-V810 HydrophobicContact CD1-CG2 4.02Å; L806-V810 HydrophobicContact CG-CG2 4.32Å; L806-V810 WeakPolarHBondContact O-CG2 3.48Å; L806-V810 PolarHBondContact O-N 3.04Å; I808-V810 PolarHBondContact O-N 2.64Å; V810-S812 VanDerWaalsContact C-N 3.3Å; V810-S812 PolarHBondContact O-N 3.39Å; V810-R813 PolarHBondContact O-N 2.86Å |
| 811 | S | 82.2 | Confident | 79.4 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 12% | 0.119 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -28.4 | 176.4 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | F807 I808 | F807-S811 WeakPolarHBondContact O-CB 3.32Å; F807-S811 PolarHBondContact O-N 3.12Å; F807-S811 VanDerWaalsContact O-N 3.1Å; F807-S811 PolarHBondContact O-OG 3.43Å; F807-S811 VanDerWaalsContact O-OG 3.1Å; I808-S811 PolarHBondContact O-N 2.85Å |
| 812 | S | 81 | Confident | 79 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -83.1 | -10.5 | 179.4 | 70.4 | 0 | 0 | 0 | 0 | 115.4 | I808 S809 V810 E814 | I808-S812 VanDerWaalsContact O-CB 3.27Å; I808-S812 WeakPolarHBondContact O-CB 3.32Å; I808-S812 PolarHBondContact O-N 3.49Å; I808-S812 PolarHBondContact O-OG 3.48Å; S809-S812 PolarHBondContact O-N 2.97Å; S809-S812 PolarHBondContact O-OG 3.43Å; V810-S812 VanDerWaalsContact C-N 3.3Å; V810-S812 PolarHBondContact O-N 3.39Å; S812-E814 VanDerWaalsContact C-N 3.31Å; S812-E814 PolarHBondContact O-N 2.88Å |
| 813 | R | 79.8 | Confident | 78.7 | Confident | 130 Ų | 130 | 50.1 Ų | 50.1 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.1 | -176.7 | -80.4 | 172.4 | -164.9 | 173.3 | 9.1 | 114 | N767 S809 V810 | N767-R813 PolarHBondContact O-NH1 3.5Å; N767-R813 PolarHBondContact OD1-NH2 3.38Å; S809-R813 WeakPolarHBondContact O-CG 3.06Å; S809-R813 PolarHBondContact O-N 3.38Å; V810-R813 PolarHBondContact O-N 2.86Å |
| 814 | E | 68.4 | Low | 78.3 | Confident | 101 Ų | 101 | 50.1 Ų | 50.1 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -139.5 | 161.9 | 179.2 | -77.2 | -176.1 | 160 | 0 | 0 | 110.8 | S812 L816 R820 | S812-E814 VanDerWaalsContact C-N 3.31Å; S812-E814 PolarHBondContact O-N 2.88Å; E814-L816 PolarHBondContact O-N 3.4Å; E814-R820 IonicContact OE2-CZ 3.7Å; E814-R820 IonicContact OE2-NH1 2.98Å; E814-R820 PolarHBondContact OE2-NH1 3.37Å; E814-R820 IonicContact OE2-NH2 2.79Å; E814-R820 PolarHBondContact OE2-NH2 2.99Å |
| 815 | Q | 67.8 | Low | 78.2 | Confident | 182 Ų | 182 | 51.6 Ų | 51.6 | 85% | 0.85 | 28% | 0.276 | S | S | * | . | trans | -61.6 | 132.7 | 174 | -69.5 | -178.4 | -13.5 | 0 | 0 | 110.6 | T817 | Q815-T817 PolarHBondContact O-N 3.14Š| ||
| 816 | L | 67.7 | Low | 78.1 | Confident | 32 Ų | 32 | 49.8 Ų | 49.8 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | trans | -70.5 | 125.7 | 179.6 | -70.4 | 167 | 0 | 0 | 0 | 110.2 | E814 M824 Q856 L860 | E814-L816 PolarHBondContact O-N 3.4Å; L816-M824 HydrophobicContact CD1-CE 3.75Å; L816-M824 HydrophobicContact CD2-CE 3.78Å; L816-M824 HydrophobicContact CG-CE 4.46Å; L816-Q856 HydrophobicContact CD1-CB 4.33Å; L816-L860 HydrophobicContact CB-CD1 3.49Å; L816-L860 VanDerWaalsContact CB-CD1 3.49Å; L816-L860 HydrophobicContact CD1-CD1 3.44Å; L816-L860 VanDerWaalsContact CD1-CD1 3.44Å; L816-L860 HydrophobicContact CG-CD1 4.07Å | ||
| 817 | T | 68.2 | Low | 78.1 | Confident | 69 Ų | 69 | 48.1 Ų | 48.1 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | trans | -104.9 | 162.4 | 175.6 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | Q815 S819 R820 | Q815-T817 PolarHBondContact O-N 3.14Å; T817-S819 PolarHBondContact O-N 3.1Å; T817-S819 VanDerWaalsContact O-N 3.17Å; T817-S819 PolarHBondContact OG1-OG 3.05Å; T817-S819 VanDerWaalsContact OG1-OG 3.12Å; T817-R820 PolarHBondContact O-N 2.83Å | ||
| 818 | L | 61 | Low | 78 | Confident | 113 Ų | 113 | 48.2 Ų | 48.2 | 59% | 0.592 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -52.1 | -38.9 | 177.4 | -165.6 | 102.7 | 0 | 0 | 0 | 112.4 | R820 L821 | L818-R820 PolarHBondContact O-N 3.1Å; L818-L821 HydrophobicContact CD1-CD1 4.26Å; L818-L821 HydrophobicContact CG-CD1 4.37Å; L818-L821 VanDerWaalsContact O-CB 3.26Å; L818-L821 WeakPolarHBondContact O-CB 3.46Å; L818-L821 PolarHBondContact O-N 2.99Å |
| 819 | S | 63.7 | Low | 78.2 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -69.5 | -16.5 | 179.9 | 62.1 | 0 | 0 | 0 | 0 | 114.3 | I774 T817 | I774-S819 VanDerWaalsContact CD1-CB 3.49Å; I774-S819 VanDerWaalsContact CD1-OG 3.31Å; I774-S819 WeakPolarHBondContact CD1-OG 3.47Å; I774-S819 WeakPolarHBondContact CG2-O 3.33Å; T817-S819 PolarHBondContact O-N 3.1Å; T817-S819 VanDerWaalsContact O-N 3.17Å; T817-S819 PolarHBondContact OG1-OG 3.05Å; T817-S819 VanDerWaalsContact OG1-OG 3.12Å |
| 820 | R | 71.9 | Confident | 78.4 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 18% | 0.181 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -94 | -6.4 | 176.9 | -67.9 | -178.5 | 173.1 | 178.7 | 0.7 | 113.2 | Q771 E814 T817 L818 A822 V823 M824 | Q771-R820 PolarHBondContact O-NH2 2.77Å; E814-R820 IonicContact OE2-CZ 3.7Å; E814-R820 IonicContact OE2-NH1 2.98Å; E814-R820 PolarHBondContact OE2-NH1 3.37Å; E814-R820 IonicContact OE2-NH2 2.79Å; E814-R820 PolarHBondContact OE2-NH2 2.99Å; T817-R820 PolarHBondContact O-N 2.83Å; L818-R820 PolarHBondContact O-N 3.1Å; R820-A822 VanDerWaalsContact C-N 3.32Å; R820-A822 PolarHBondContact O-N 3.27Å; R820-V823 PolarHBondContact O-N 3.29Å; R820-M824 PolarHBondContact O-N 3.04Å |
| 821 | L | 72.6 | Confident | 78.6 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -33.1 | 177.8 | -75.2 | -179.8 | 0 | 0 | 0 | 112.8 | L818 V823 M824 E825 I873 | L818-L821 HydrophobicContact CD1-CD1 4.26Å; L818-L821 HydrophobicContact CG-CD1 4.37Å; L818-L821 VanDerWaalsContact O-CB 3.26Å; L818-L821 WeakPolarHBondContact O-CB 3.46Å; L818-L821 PolarHBondContact O-N 2.99Å; L821-V823 VanDerWaalsContact C-N 3.32Å; L821-V823 PolarHBondContact O-N 3.42Å; L821-M824 CarbonylContact O-C 3.54Å; L821-M824 WeakPolarHBondContact O-CA 3.28Å; L821-M824 VanDerWaalsContact O-CB 3.23Å; L821-M824 WeakPolarHBondContact O-CB 3.39Å; L821-M824 PolarHBondContact O-N 3.44Å; L821-E825 PolarHBondContact O-N 2.85Å; L821-I873 HydrophobicContact CB-CD1 3.46Å; L821-I873 VanDerWaalsContact CB-CD1 3.46Å; L821-I873 HydrophobicContact CD1-CD1 4.41Å; L821-I873 HydrophobicContact CD2-CD1 4.15Å; L821-I873 HydrophobicContact CG-CD1 4.21Å; L821-I873 WeakPolarHBondContact O-CD1 3.46Å |
| 822 | A | 77 | Confident | 79 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.7 | -35.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I778 R820 M824 E825 | I778-A822 HydrophobicContact CD1-CB 3.73Å; I778-A822 HydrophobicContact CG1-CB 4.23Å; R820-A822 VanDerWaalsContact C-N 3.32Å; R820-A822 PolarHBondContact O-N 3.27Å; A822-M824 VanDerWaalsContact C-N 3.32Å; A822-E825 WeakPolarHBondContact O-CB 3.18Å |
| 823 | V | 83 | Confident | 79.3 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.7 | -38.8 | 172.4 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | A777 I778 A781 R820 L821 E825 K826 I827 | A777-V823 HydrophobicContact CB-CG1 4.41Å; A777-V823 HydrophobicContact CB-CG2 3.71Å; I778-V823 HydrophobicContact CG1-CG2 3.6Å; A781-V823 HydrophobicContact CB-CG1 4.36Å; R820-V823 PolarHBondContact O-N 3.29Å; L821-V823 VanDerWaalsContact C-N 3.32Å; L821-V823 PolarHBondContact O-N 3.42Å; V823-E825 VanDerWaalsContact C-N 3.33Å; V823-E825 PolarHBondContact O-N 3.18Å; V823-K826 PolarHBondContact O-N 3.41Å; V823-I827 HydrophobicContact CG1-CD1 3.96Å; V823-I827 HydrophobicContact CG1-CG1 4.48Å; V823-I827 WeakPolarHBondContact O-CG1 3.42Å; V823-I827 PolarHBondContact O-N 2.85Å |
| 824 | M | 83.1 | Confident | 79.7 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -39 | 178.3 | -166.2 | 59.7 | 76.4 | 0 | 0 | 112.5 | L816 R820 L821 A822 K826 I827 L828 F852 I857 | L816-M824 HydrophobicContact CD1-CE 3.75Å; L816-M824 HydrophobicContact CD2-CE 3.78Å; L816-M824 HydrophobicContact CG-CE 4.46Å; R820-M824 PolarHBondContact O-N 3.04Å; L821-M824 CarbonylContact O-C 3.54Å; L821-M824 WeakPolarHBondContact O-CA 3.28Å; L821-M824 VanDerWaalsContact O-CB 3.23Å; L821-M824 WeakPolarHBondContact O-CB 3.39Å; L821-M824 PolarHBondContact O-N 3.44Å; A822-M824 VanDerWaalsContact C-N 3.32Å; M824-K826 VanDerWaalsContact C-N 3.3Å; M824-K826 PolarHBondContact O-N 3.47Å; M824-I827 PolarHBondContact O-N 2.65Å; M824-I827 VanDerWaalsContact O-N 3.14Å; M824-I827 HydrophobicContact SD-CB 4.35Å; M824-I827 HydrophobicContact SD-CG2 4.44Å; M824-L828 HydrophobicContact CG-CD1 4.32Å; M824-L828 HydrophobicContact CG-CG 4.35Å; M824-L828 WeakPolarHBondContact O-CB 3.49Å; M824-L828 WeakPolarHBondContact O-CG 3.31Å; M824-L828 PolarHBondContact O-N 3.1Å; M824-F852 HydrophobicContact CE-CE1 3.58Å; M824-F852 HydrophobicContact CE-CE2 4.49Å; M824-F852 HydrophobicContact CE-CZ 3.36Å; M824-F852 HydrophobicContact SD-CE1 3.42Å; M824-F852 WeakPolarHBondContact SD-CE1 3.3Å; M824-F852 HydrophobicContact SD-CZ 3.84Å; M824-I857 HydrophobicContact CE-CD1 4.17Å; M824-I857 HydrophobicContact CE-CG1 4.05Å; M824-I857 HydrophobicContact CG-CD1 3.72Å; M824-I857 HydrophobicContact CG-CG1 4.14Å; M824-I857 HydrophobicContact SD-CD1 3.39Å; M824-I857 WeakPolarHBondContact SD-CD1 3.24Å; M824-I857 HydrophobicContact SD-CG1 3.94Å |
| 825 | E | 86.3 | Confident | 80.6 | Confident | 30 Ų | 30 | 36.9 Ų | 36.9 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.6 | -48.9 | 173.6 | -169.4 | -143.5 | 132.7 | 0 | 0 | 110.9 | L821 A822 V823 L828 Q829 I873 L876 | L821-E825 PolarHBondContact O-N 2.85Å; A822-E825 WeakPolarHBondContact O-CB 3.18Å; V823-E825 VanDerWaalsContact C-N 3.33Å; V823-E825 PolarHBondContact O-N 3.18Å; E825-L828 PolarHBondContact O-N 3.22Å; E825-Q829 VanDerWaalsContact O-CG 3.32Å; E825-Q829 WeakPolarHBondContact O-CG 3.48Å; E825-Q829 PolarHBondContact O-N 2.86Å; E825-Q829 PolarHBondContact OE1-NE2 2.72Å; E825-I873 HydrophobicContact CB-CG1 4.2Å; E825-I873 HydrophobicContact CG-CG1 4.44Å; E825-L876 HydrophobicContact CB-CD1 4.33Å; E825-L876 HydrophobicContact CG-CD1 3.29Å |
| 826 | K | 87.9 | Confident | 81.4 | Confident | 32 Ų | 32 | 32.3 Ų | 32.3 | 14% | 0.139 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | 178.4 | -52.4 | -47.8 | 176 | -157.3 | 0 | 112.1 | A781 E782 L785 V823 M824 Q829 M830 | A781-K826 HydrophobicContact CB-CB 3.91Å; A781-K826 HydrophobicContact CB-CG 4.47Å; E782-K826 HydrophobicContact CG-CD 4.06Å; E782-K826 HydrophobicContact CG-CG 4Å; E782-K826 WeakPolarHBondContact OE1-CE 3.36Å; L785-K826 HydrophobicContact CD2-CB 4.18Å; L785-K826 HydrophobicContact CD2-CD 4.14Å; V823-K826 PolarHBondContact O-N 3.41Å; M824-K826 VanDerWaalsContact C-N 3.3Å; M824-K826 PolarHBondContact O-N 3.47Å; K826-Q829 PolarHBondContact O-N 3.26Å; K826-M830 WeakPolarHBondContact O-CG 3.5Å; K826-M830 PolarHBondContact O-N 3.28Å |
| 827 | I | 88.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 175.4 | -66.5 | 169.3 | 0 | 0 | 0 | 111.6 | F807 V823 M824 Q829 M830 F831 | F807-I827 HydrophobicContact CB-CD1 4.2Å; F807-I827 HydrophobicContact CB-CG1 4.33Å; F807-I827 HydrophobicContact CD1-CD1 4.12Å; F807-I827 HydrophobicContact CD1-CG1 4.15Å; F807-I827 HydrophobicContact CG-CD1 4.5Å; F807-I827 HydrophobicContact CG-CG1 4.37Å; V823-I827 HydrophobicContact CG1-CD1 3.96Å; V823-I827 HydrophobicContact CG1-CG1 4.48Å; V823-I827 WeakPolarHBondContact O-CG1 3.42Å; V823-I827 PolarHBondContact O-N 2.85Å; M824-I827 PolarHBondContact O-N 2.65Å; M824-I827 VanDerWaalsContact O-N 3.14Å; M824-I827 HydrophobicContact SD-CB 4.35Å; M824-I827 HydrophobicContact SD-CG2 4.44Å; I827-Q829 VanDerWaalsContact C-N 3.31Å; I827-Q829 PolarHBondContact O-N 3.13Å; I827-M830 HydrophobicContact CB-CE 4.25Å; I827-M830 HydrophobicContact CG1-CE 3.79Å; I827-M830 WeakPolarHBondContact O-CA 3.44Å; I827-M830 WeakPolarHBondContact O-CB 3.49Å; I827-M830 PolarHBondContact O-N 2.71Å; I827-M830 VanDerWaalsContact O-N 3.08Å; I827-F831 HydrophobicContact CG2-CD1 4.3Å; I827-F831 HydrophobicContact CG2-CD2 4.36Å; I827-F831 HydrophobicContact CG2-CE1 3.63Å; I827-F831 HydrophobicContact CG2-CE2 3.73Å; I827-F831 HydrophobicContact CG2-CZ 3.32Å; I827-F831 WeakPolarHBondContact O-CG 3.3Å; I827-F831 PolarHBondContact O-N 3.16Å |
| 828 | L | 89.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 175.2 | -74.5 | 174.5 | 0 | 0 | 0 | 111.5 | M824 E825 M830 F831 K832 I857 I873 L876 L877 L880 | M824-L828 HydrophobicContact CG-CD1 4.32Å; M824-L828 HydrophobicContact CG-CG 4.35Å; M824-L828 WeakPolarHBondContact O-CB 3.49Å; M824-L828 WeakPolarHBondContact O-CG 3.31Å; M824-L828 PolarHBondContact O-N 3.1Å; E825-L828 PolarHBondContact O-N 3.22Å; L828-M830 VanDerWaalsContact C-N 3.32Å; L828-M830 PolarHBondContact O-N 3.41Å; L828-F831 HydrophobicContact CD2-CD2 4.15Å; L828-F831 PolarHBondContact O-N 2.88Å; L828-K832 WeakPolarHBondContact O-CB 3.45Å; L828-K832 PolarHBondContact O-N 3.42Å; L828-I857 HydrophobicContact CD1-CD1 4.3Å; L828-I857 HydrophobicContact CD2-CD1 3.61Å; L828-I857 HydrophobicContact CG-CD1 4.05Å; L828-I873 HydrophobicContact CD1-CG2 3.94Å; L828-L876 HydrophobicContact CB-CB 4.46Å; L828-L876 HydrophobicContact CD1-CB 4.38Å; L828-L877 HydrophobicContact CD2-CD1 4.2Å; L828-L880 HydrophobicContact CD2-CD2 3.85Å |
| 829 | Q | 91.1 | Very high | 82.8 | Confident | 29 Ų | 29 | 32.9 Ų | 32.9 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | 172.6 | -70.8 | 171.9 | 28.5 | 0 | 0 | 112 | L785 E825 K826 I827 L833 L876 | L785-Q829 HydrophobicContact CD1-CB 3.93Å; L785-Q829 HydrophobicContact CD2-CB 3.86Å; E825-Q829 VanDerWaalsContact O-CG 3.32Å; E825-Q829 WeakPolarHBondContact O-CG 3.48Å; E825-Q829 PolarHBondContact O-N 2.86Å; E825-Q829 PolarHBondContact OE1-NE2 2.72Å; K826-Q829 PolarHBondContact O-N 3.26Å; I827-Q829 VanDerWaalsContact C-N 3.31Å; I827-Q829 PolarHBondContact O-N 3.13Å; Q829-L833 VanDerWaalsContact O-CG 3.32Å; Q829-L833 WeakPolarHBondContact O-CG 3.36Å; Q829-L833 PolarHBondContact O-N 3.39Å; Q829-L833 VanDerWaalsContact O-N 3.17Å; Q829-L876 HydrophobicContact CG-CD1 4.2Å; Q829-L876 HydrophobicContact CG-CD2 3.78Å |
| 830 | M | 90.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -44.7 | 173.1 | -71.8 | -171.9 | -79.4 | 0 | 0 | 111.7 | L785 L788 M803 I804 F807 K826 I827 L828 K832 L833 I834 | L785-M830 HydrophobicContact CB-CG 3.9Å; L785-M830 HydrophobicContact CB-SD 4.42Å; L785-M830 HydrophobicContact CD1-CB 4.32Å; L785-M830 HydrophobicContact CD1-CG 3.54Å; L785-M830 HydrophobicContact CG-CG 4.28Å; L788-M830 HydrophobicContact CD2-CB 3.9Å; L788-M830 HydrophobicContact CD2-CG 3.98Å; M803-M830 HydrophobicContact CE-SD 4.24Å; I804-M830 HydrophobicContact CD1-CB 4.12Å; F807-M830 HydrophobicContact CD1-CE 4.29Å; F807-M830 HydrophobicContact CD2-CE 3.76Å; F807-M830 HydrophobicContact CD2-SD 4.31Å; F807-M830 HydrophobicContact CE1-CE 4.25Å; F807-M830 HydrophobicContact CE2-CE 3.71Å; F807-M830 HydrophobicContact CE2-SD 4Å; F807-M830 HydrophobicContact CG-CE 4.07Å; F807-M830 HydrophobicContact CZ-CE 3.98Å; K826-M830 WeakPolarHBondContact O-CG 3.5Å; K826-M830 PolarHBondContact O-N 3.28Å; I827-M830 HydrophobicContact CB-CE 4.25Å; I827-M830 HydrophobicContact CG1-CE 3.79Å; I827-M830 WeakPolarHBondContact O-CA 3.44Å; I827-M830 WeakPolarHBondContact O-CB 3.49Å; I827-M830 PolarHBondContact O-N 2.71Å; I827-M830 VanDerWaalsContact O-N 3.08Å; L828-M830 VanDerWaalsContact C-N 3.32Å; L828-M830 PolarHBondContact O-N 3.41Å; M830-K832 VanDerWaalsContact C-N 3.34Å; M830-K832 PolarHBondContact O-N 3.33Å; M830-L833 PolarHBondContact O-N 2.95Å; M830-I834 WeakPolarHBondContact O-CG1 3.34Å; M830-I834 PolarHBondContact O-N 3.45Å; M830-I834 VanDerWaalsContact O-N 3.13Å |
| 831 | F | 90.4 | Very high | 83 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 176.9 | -65.2 | -14.1 | 0 | 0 | 0 | 111.6 | I804 I808 I827 L828 L833 I834 V835 I849 F852 L880 | I804-F831 HydrophobicContact CD1-CD1 4.15Å; I804-F831 HydrophobicContact CD1-CE1 4.11Å; I804-F831 HydrophobicContact CG2-CD1 4.32Å; I804-F831 HydrophobicContact CG2-CE1 3.73Å; I808-F831 HydrophobicContact CD1-CE1 4.27Å; I808-F831 HydrophobicContact CD1-CZ 3.98Å; I808-F831 HydrophobicContact CG1-CE1 4.31Å; I808-F831 HydrophobicContact CG1-CZ 3.82Å; I827-F831 HydrophobicContact CG2-CD1 4.3Å; I827-F831 HydrophobicContact CG2-CD2 4.36Å; I827-F831 HydrophobicContact CG2-CE1 3.63Å; I827-F831 HydrophobicContact CG2-CE2 3.73Å; I827-F831 HydrophobicContact CG2-CZ 3.32Å; I827-F831 WeakPolarHBondContact O-CG 3.3Å; I827-F831 PolarHBondContact O-N 3.16Å; L828-F831 HydrophobicContact CD2-CD2 4.15Å; L828-F831 PolarHBondContact O-N 2.88Å; F831-L833 VanDerWaalsContact C-N 3.34Å; F831-L833 PolarHBondContact O-N 3.5Å; F831-I834 PolarHBondContact O-N 3.03Å; F831-V835 VanDerWaalsContact O-CG2 3.28Å; F831-V835 WeakPolarHBondContact O-CG2 3.44Å; F831-V835 PolarHBondContact O-N 2.89Å; F831-I849 HydrophobicContact CB-CD1 4.36Å; F831-I849 HydrophobicContact CB-CG2 3.83Å; F831-I849 HydrophobicContact CD1-CD1 4.08Å; F831-I849 HydrophobicContact CD1-CG1 3.81Å; F831-I849 HydrophobicContact CD1-CG2 4.4Å; F831-I849 HydrophobicContact CD2-CB 4.46Å; F831-I849 HydrophobicContact CD2-CG1 4.43Å; F831-I849 HydrophobicContact CD2-CG2 3.64Å; F831-I849 HydrophobicContact CE1-CG1 4.07Å; F831-I849 HydrophobicContact CE2-CG2 4.26Å; F831-I849 HydrophobicContact CG-CB 4.43Å; F831-I849 HydrophobicContact CG-CD1 4.29Å; F831-I849 HydrophobicContact CG-CG1 4.01Å; F831-I849 HydrophobicContact CG-CG2 3.71Å; F831-I849 HydrophobicContact CZ-CG1 4.46Å; F831-F852 AromaticContact CE2-CD1 3.75Å; F831-F852 HydrophobicContact CE2-CD1 3.75Å; F831-F852 HydrophobicContact CE2-CE1 4.19Å; F831-F852 HydrophobicContact CZ-CD1 4.02Å; F831-F852 HydrophobicContact CZ-CE1 4.31Å; F831-L880 HydrophobicContact CB-CD1 3.8Å; F831-L880 HydrophobicContact CB-CD2 4.08Å; F831-L880 HydrophobicContact CD2-CD2 4.13Å |
| 832 | K | 90.2 | Very high | 83.2 | Confident | 61 Ų | 61 | 34.8 Ų | 34.8 | 27% | 0.265 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.6 | -48.4 | 178.9 | -177.7 | 176.5 | 172.4 | 178.5 | 0 | 111.2 | L828 M830 I834 V835 E836 A879 L880 | L828-K832 WeakPolarHBondContact O-CB 3.45Å; L828-K832 PolarHBondContact O-N 3.42Å; M830-K832 VanDerWaalsContact C-N 3.34Å; M830-K832 PolarHBondContact O-N 3.33Å; K832-I834 VanDerWaalsContact C-N 3.32Å; K832-I834 PolarHBondContact O-N 3.46Å; K832-V835 WeakPolarHBondContact O-CB 3.48Å; K832-V835 PolarHBondContact O-N 3.37Å; K832-V835 VanDerWaalsContact O-N 3.16Å; K832-E836 WeakPolarHBondContact CE-OE1 3.37Å; K832-E836 HydrophobicContact CG-CG 4.43Å; K832-E836 IonicContact NZ-OE1 2.71Å; K832-E836 WeakPolarHBondContact O-CG 3.48Å; K832-E836 PolarHBondContact O-N 3.3Å; K832-A879 HydrophobicContact CD-CB 4.46Å; K832-L880 HydrophobicContact CB-CD1 4.24Å |
| 833 | L | 88 | Confident | 83.4 | Confident | 40 Ų | 40 | 35 Ų | 35 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -38.5 | 178.7 | -69.7 | 166 | 0 | 0 | 0 | 113.2 | L785 L788 R789 Q829 M830 F831 V835 E836 Q837 | L785-L833 HydrophobicContact CD1-CD1 3.47Å; L785-L833 VanDerWaalsContact CD1-CD1 3.47Å; L788-L833 HydrophobicContact CD2-CB 4.41Å; R789-L833 HydrophobicContact CB-CD1 4.43Å; R789-L833 HydrophobicContact CG-CD1 3.27Å; R789-L833 HydrophobicContact CG-CD2 4.24Å; R789-L833 HydrophobicContact CG-CG 4.39Å; Q829-L833 VanDerWaalsContact O-CG 3.32Å; Q829-L833 WeakPolarHBondContact O-CG 3.36Å; Q829-L833 PolarHBondContact O-N 3.39Å; Q829-L833 VanDerWaalsContact O-N 3.17Å; M830-L833 PolarHBondContact O-N 2.95Å; F831-L833 VanDerWaalsContact C-N 3.34Å; F831-L833 PolarHBondContact O-N 3.5Å; L833-V835 VanDerWaalsContact C-N 3.32Å; L833-E836 PolarHBondContact O-N 2.89Å; L833-Q837 WeakPolarHBondContact O-CG 3.36Å; L833-Q837 PolarHBondContact O-N 2.94Å; L833-Q837 VanDerWaalsContact O-N 3.11Å |
| 834 | I | 87 | Confident | 83.2 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -35.4 | 178.4 | -68.2 | 168 | 0 | 0 | 0 | 111.1 | L788 I800 I804 M830 F831 K832 S842 L845 | L788-I834 HydrophobicContact CD1-CG1 4.36Å; L788-I834 HydrophobicContact CD2-CD1 4.08Å; L788-I834 HydrophobicContact CD2-CG1 3.95Å; I800-I834 HydrophobicContact CG2-CD1 3.69Å; I800-I834 HydrophobicContact CG2-CG1 4.14Å; I804-I834 HydrophobicContact CD1-CD1 3.58Å; I804-I834 HydrophobicContact CG1-CD1 3.39Å; M830-I834 WeakPolarHBondContact O-CG1 3.34Å; M830-I834 PolarHBondContact O-N 3.45Å; M830-I834 VanDerWaalsContact O-N 3.13Å; F831-I834 PolarHBondContact O-N 3.03Å; K832-I834 VanDerWaalsContact C-N 3.32Å; K832-I834 PolarHBondContact O-N 3.46Å; I834-S842 VanDerWaalsContact O-CB 3.25Å; I834-S842 WeakPolarHBondContact O-CB 3.33Å; I834-S842 PolarHBondContact O-OG 3.34Å; I834-L845 HydrophobicContact CG2-CD1 4.26Å |
| 835 | V | 86.6 | Confident | 83.2 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.5 | -40.1 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | F831 K832 L833 Q837 L846 L880 S883 V884 K888 | F831-V835 VanDerWaalsContact O-CG2 3.28Å; F831-V835 WeakPolarHBondContact O-CG2 3.44Å; F831-V835 PolarHBondContact O-N 2.89Å; K832-V835 WeakPolarHBondContact O-CB 3.48Å; K832-V835 PolarHBondContact O-N 3.37Å; K832-V835 VanDerWaalsContact O-N 3.16Å; L833-V835 VanDerWaalsContact C-N 3.32Å; V835-Q837 VanDerWaalsContact C-N 3.31Å; V835-Q837 PolarHBondContact O-N 2.9Å; V835-L846 HydrophobicContact CG2-CD1 3.98Å; V835-L880 HydrophobicContact CG2-CD1 4.1Å; V835-S883 VanDerWaalsContact CG1-C 3.5Å; V835-S883 WeakPolarHBondContact CG1-O 3.5Å; V835-V884 HydrophobicContact CB-CG2 4.42Å; V835-V884 HydrophobicContact CG1-CB 4.27Å; V835-V884 HydrophobicContact CG1-CG2 3.71Å; V835-V884 HydrophobicContact CG2-CG2 3.87Å; V835-K888 HydrophobicContact CG1-CG 3.99Å; V835-K888 WeakPolarHBondContact O-CE 3.49Å |
| 836 | E | 86.4 | Confident | 83.2 | Confident | 86 Ų | 86 | 36.3 Ų | 36.3 | 40% | 0.402 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.6 | -22.4 | 178.6 | -72.1 | 176.3 | 165.3 | 0 | 0 | 113.4 | K832 L833 | K832-E836 WeakPolarHBondContact CE-OE1 3.37Å; K832-E836 HydrophobicContact CG-CG 4.43Å; K832-E836 IonicContact NZ-OE1 2.71Å; K832-E836 WeakPolarHBondContact O-CG 3.48Å; K832-E836 PolarHBondContact O-N 3.3Å; L833-E836 PolarHBondContact O-N 2.89Å |
| 837 | Q | 81.9 | Confident | 83.2 | Confident | 48 Ų | 48 | 36.7 Ų | 36.7 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -59.8 | 132.1 | 178.9 | -83.3 | 172.9 | 28.7 | 0 | 0 | 112.5 | P792 L833 V835 K888 | P792-Q837 HydrophobicContact CB-CG 4.39Å; L833-Q837 WeakPolarHBondContact O-CG 3.36Å; L833-Q837 PolarHBondContact O-N 2.94Å; L833-Q837 VanDerWaalsContact O-N 3.11Å; V835-Q837 VanDerWaalsContact C-N 3.31Å; V835-Q837 PolarHBondContact O-N 2.9Å; Q837-K888 PolarHBondContact O-NZ 3.05Å |
| 838 | P | 71.9 | Confident | 83.1 | Confident | 131 Ų | 131 | 38.8 Ų | 38.8 | 85% | 0.851 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -68 | 137.7 | 178.2 | 27.9 | -33.4 | 0 | 0 | 0 | 111 | ||
| 839 | G | 71.2 | Confident | 83 | Confident | 46 Ų | 46 | 38.8 Ų | 38.8 | 47% | 0.474 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 121.5 | 175.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K888 | G839-K888 PolarHBondContact O-NZ 2.99Š|
| 840 | S | 70.7 | Confident | 82.9 | Confident | 85 Ų | 85 | 37.5 Ų | 37.5 | 59% | 0.594 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -94.3 | -9 | -177.8 | 55 | 0 | 0 | 0 | 0 | 114.1 | S842 L843 | S840-S842 VanDerWaalsContact C-N 3.27Å; S840-S842 PolarHBondContact O-N 3Å; S840-L843 VanDerWaalsContact O-CB 3.31Å; S840-L843 WeakPolarHBondContact O-CB 3.34Å; S840-L843 WeakPolarHBondContact O-CG 3.29Å; S840-L843 PolarHBondContact O-N 3.45Å |
| 841 | A | 70 | Confident | 82.8 | Confident | 72 Ų | 72 | 40.2 Ų | 40.2 | 60% | 0.595 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -60 | -33.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A797 L843 | A797-A841 HydrophobicContact CB-CB 4.24Å; A841-L843 VanDerWaalsContact C-N 3.32Å; A841-L843 PolarHBondContact O-N 3.03Å |
| 842 | S | 75.9 | Confident | 82.6 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -77.6 | -10.9 | 177.6 | 51.8 | 0 | 0 | 0 | 0 | 114.7 | I834 S840 G844 L845 L846 K888 | I834-S842 VanDerWaalsContact O-CB 3.25Å; I834-S842 WeakPolarHBondContact O-CB 3.33Å; I834-S842 PolarHBondContact O-OG 3.34Å; S840-S842 VanDerWaalsContact C-N 3.27Å; S840-S842 PolarHBondContact O-N 3Å; S842-G844 VanDerWaalsContact C-N 3.26Å; S842-G844 PolarHBondContact O-N 3.43Å; S842-L845 PolarHBondContact O-N 2.99Å; S842-L845 VanDerWaalsContact O-N 3.1Å; S842-L846 PolarHBondContact O-N 3.49Å; S842-K888 VanDerWaalsContact OG-CE 3.31Å; S842-K888 WeakPolarHBondContact OG-CE 3.25Å; S842-K888 PolarHBondContact OG-NZ 3.47Å |
| 843 | L | 80.8 | Confident | 82.5 | Confident | 45 Ų | 45 | 37.6 Ų | 37.6 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -63.1 | -33.8 | 177.7 | -66.1 | 175.6 | 0 | 0 | 0 | 112.1 | S840 A841 L845 L846 P847 K888 Q890 F891 | S840-L843 VanDerWaalsContact O-CB 3.31Å; S840-L843 WeakPolarHBondContact O-CB 3.34Å; S840-L843 WeakPolarHBondContact O-CG 3.29Å; S840-L843 PolarHBondContact O-N 3.45Å; A841-L843 VanDerWaalsContact C-N 3.32Å; A841-L843 PolarHBondContact O-N 3.03Å; L843-L845 PolarHBondContact O-N 3.44Å; L843-L846 PolarHBondContact O-N 3.47Å; L843-P847 WeakPolarHBondContact O-CD 3.4Å; L843-K888 HydrophobicContact CD2-CD 4.19Å; L843-Q890 HydrophobicContact CD1-CG 4.29Å; L843-Q890 HydrophobicContact CD2-CG 4.08Å; L843-F891 HydrophobicContact CD2-CB 4.1Å; L843-F891 HydrophobicContact CD2-CD2 4.45Å |
| 844 | G | 79.4 | Confident | 82.4 | Confident | 57 Ų | 57 | 36.6 Ų | 36.6 | 59% | 0.588 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -71.6 | -15.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S842 | S842-G844 VanDerWaalsContact C-N 3.26Å; S842-G844 PolarHBondContact O-N 3.43Å |
| 845 | L | 83.1 | Confident | 82.3 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -17.6 | 178 | -77.5 | 173.3 | 0 | 0 | 0 | 113 | K801 I834 S842 L843 S848 I849 | K801-L845 HydrophobicContact CB-CD1 4.16Å; K801-L845 HydrophobicContact CB-CD2 3.91Å; K801-L845 HydrophobicContact CB-CG 4.31Å; K801-L845 HydrophobicContact CD-CD2 4.25Å; K801-L845 HydrophobicContact CG-CD2 3.68Å; K801-L845 HydrophobicContact CG-CG 4.44Å; I834-L845 HydrophobicContact CG2-CD1 4.26Å; S842-L845 PolarHBondContact O-N 2.99Å; S842-L845 VanDerWaalsContact O-N 3.1Å; L843-L845 PolarHBondContact O-N 3.44Å; L845-S848 PolarHBondContact O-N 3.49Å; L845-S848 PolarHBondContact O-OG 3.3Å; L845-I849 HydrophobicContact CB-CD1 4.25Å; L845-I849 WeakPolarHBondContact O-CG1 3.48Å; L845-I849 PolarHBondContact O-N 3.04Å; L845-I849 VanDerWaalsContact O-N 3.14Å |
| 846 | L | 86.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | -172.1 | -166.3 | 60.5 | 0 | 0 | 0 | 113.7 | V835 S842 L843 S848 I849 L850 V884 K888 F891 | V835-L846 HydrophobicContact CG2-CD1 3.98Å; S842-L846 PolarHBondContact O-N 3.49Å; L843-L846 PolarHBondContact O-N 3.47Å; L846-S848 PolarHBondContact O-N 3.44Å; L846-I849 PolarHBondContact O-N 3.48Å; L846-L850 HydrophobicContact CD1-CD1 4.22Å; L846-L850 HydrophobicContact CD1-CG 4.16Å; L846-L850 HydrophobicContact CG-CD1 3.89Å; L846-L850 HydrophobicContact CG-CG 4.25Å; L846-L850 WeakPolarHBondContact O-CB 3.36Å; L846-L850 WeakPolarHBondContact O-CG 3.44Å; L846-L850 PolarHBondContact O-N 3.26Å; L846-V884 HydrophobicContact CD1-CG1 4.1Å; L846-V884 HydrophobicContact CD1-CG2 3.83Å; L846-V884 HydrophobicContact CD2-CG1 4.19Å; L846-K888 HydrophobicContact CD2-CB 4.17Å; L846-F891 HydrophobicContact CB-CD2 4.49Å; L846-F891 HydrophobicContact CB-CE2 4.3Å; L846-F891 HydrophobicContact CD2-CB 3.74Å; L846-F891 HydrophobicContact CD2-CD1 3.59Å; L846-F891 HydrophobicContact CD2-CD2 3.73Å; L846-F891 HydrophobicContact CD2-CE1 4.05Å; L846-F891 HydrophobicContact CD2-CE2 4.17Å; L846-F891 HydrophobicContact CD2-CG 3.41Å; L846-F891 VanDerWaalsContact CD2-CG 3.41Å; L846-F891 HydrophobicContact CD2-CZ 4.31Å; L846-F891 HydrophobicContact CG-CD1 4.39Å; L846-F891 HydrophobicContact CG-CD2 4.5Å; L846-F891 HydrophobicContact CG-CE1 4.37Å; L846-F891 HydrophobicContact CG-CE2 4.47Å; L846-F891 HydrophobicContact CG-CG 4.45Å; L846-F891 HydrophobicContact CG-CZ 4.41Å |
| 847 | P | 87.4 | Confident | 82 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 175.2 | -24.9 | 35 | 0 | 0 | 0 | 112.6 | L843 I849 L850 D851 F891 | L843-P847 WeakPolarHBondContact O-CD 3.4Å; P847-I849 VanDerWaalsContact C-N 3.3Å; P847-I849 PolarHBondContact O-N 2.83Å; P847-L850 PolarHBondContact O-N 2.95Å; P847-D851 WeakPolarHBondContact O-CB 3.36Å; P847-D851 PolarHBondContact O-N 2.84Å; P847-F891 HydrophobicContact CG-CE2 4.12Å; P847-F891 HydrophobicContact CG-CZ 4.14Å |
| 848 | S | 86.6 | Confident | 82.1 | Confident | 44 Ų | 44 | 40 Ų | 40 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -35.8 | 178.8 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | L845 L846 F852 | L845-S848 PolarHBondContact O-N 3.49Å; L845-S848 PolarHBondContact O-OG 3.3Å; L846-S848 PolarHBondContact O-N 3.44Å; S848-F852 VanDerWaalsContact O-CB 3.32Å; S848-F852 WeakPolarHBondContact O-CB 3.43Å; S848-F852 PolarHBondContact O-N 3.41Å |
| 849 | I | 88.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.5 | -50.3 | 176.3 | -70.4 | 169.8 | 0 | 0 | 0 | 109.8 | F831 L845 L846 P847 F852 S853 L880 | F831-I849 HydrophobicContact CB-CD1 4.36Å; F831-I849 HydrophobicContact CB-CG2 3.83Å; F831-I849 HydrophobicContact CD1-CD1 4.08Å; F831-I849 HydrophobicContact CD1-CG1 3.81Å; F831-I849 HydrophobicContact CD1-CG2 4.4Å; F831-I849 HydrophobicContact CD2-CB 4.46Å; F831-I849 HydrophobicContact CD2-CG1 4.43Å; F831-I849 HydrophobicContact CD2-CG2 3.64Å; F831-I849 HydrophobicContact CE1-CG1 4.07Å; F831-I849 HydrophobicContact CE2-CG2 4.26Å; F831-I849 HydrophobicContact CG-CB 4.43Å; F831-I849 HydrophobicContact CG-CD1 4.29Å; F831-I849 HydrophobicContact CG-CG1 4.01Å; F831-I849 HydrophobicContact CG-CG2 3.71Å; F831-I849 HydrophobicContact CZ-CG1 4.46Å; L845-I849 HydrophobicContact CB-CD1 4.25Å; L845-I849 WeakPolarHBondContact O-CG1 3.48Å; L845-I849 PolarHBondContact O-N 3.04Å; L845-I849 VanDerWaalsContact O-N 3.14Å; L846-I849 PolarHBondContact O-N 3.48Å; P847-I849 VanDerWaalsContact C-N 3.3Å; P847-I849 PolarHBondContact O-N 2.83Å; I849-F852 PolarHBondContact O-N 3.24Å; I849-S853 WeakPolarHBondContact O-CB 3.47Å; I849-S853 PolarHBondContact O-N 3.34Å; I849-S853 PolarHBondContact O-OG 3.28Å; I849-S853 VanDerWaalsContact O-OG 3.11Å; I849-L880 HydrophobicContact CG2-CD2 4.21Å |
| 850 | L | 88 | Confident | 82.9 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.7 | -39.8 | -177.1 | -70 | 177.7 | 0 | 0 | 0 | 112.3 | L846 P847 S853 T854 F881 V884 F891 H919 I923 | L846-L850 HydrophobicContact CD1-CD1 4.22Å; L846-L850 HydrophobicContact CD1-CG 4.16Å; L846-L850 HydrophobicContact CG-CD1 3.89Å; L846-L850 HydrophobicContact CG-CG 4.25Å; L846-L850 WeakPolarHBondContact O-CB 3.36Å; L846-L850 WeakPolarHBondContact O-CG 3.44Å; L846-L850 PolarHBondContact O-N 3.26Å; P847-L850 PolarHBondContact O-N 2.95Å; L850-S853 PolarHBondContact O-N 3.32Å; L850-T854 VanDerWaalsContact O-CB 3.31Å; L850-T854 WeakPolarHBondContact O-CB 3.37Å; L850-T854 VanDerWaalsContact O-CG2 3.31Å; L850-T854 WeakPolarHBondContact O-CG2 3.11Å; L850-T854 PolarHBondContact O-N 3.03Å; L850-T854 PolarHBondContact O-OG1 3.22Å; L850-F881 HydrophobicContact CD2-CE1 4.47Å; L850-V884 HydrophobicContact CD1-CG1 4.35Å; L850-V884 HydrophobicContact CD2-CG1 4.38Å; L850-V884 HydrophobicContact CD2-CG2 4.24Å; L850-F891 HydrophobicContact CD1-CE1 3.96Å; L850-H919 HydrophobicContact CD1-CB 3.98Å; L850-I923 HydrophobicContact CD2-CD1 4.07Å |
| 851 | D | 88.8 | Confident | 83.2 | Confident | 58 Ų | 58 | 33.3 Ų | 33.3 | 31% | 0.31 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61 | -47.3 | 175.2 | -79.4 | -34.5 | 0 | 0 | 0 | 111.1 | P847 T854 Q855 H919 | P847-D851 WeakPolarHBondContact O-CB 3.36Å; P847-D851 PolarHBondContact O-N 2.84Å; D851-T854 PolarHBondContact O-N 3.28Å; D851-Q855 WeakPolarHBondContact O-CA 3.29Å; D851-Q855 WeakPolarHBondContact O-CB 3.49Å; D851-Q855 VanDerWaalsContact O-CG 3.26Å; D851-Q855 WeakPolarHBondContact O-CG 3.07Å; D851-Q855 PolarHBondContact O-N 3Å; D851-Q855 PolarHBondContact OD1-NE2 2.88Å; D851-H919 IonicContact OD1-CE1 3.82Å; D851-H919 PolarHBondContact OD1-CE1 2.89Å; D851-H919 IonicContact OD1-ND1 3.27Å; D851-H919 IonicContact OD2-CE1 3.53Å |
| 852 | F | 86.8 | Confident | 83.4 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 2% | 0.022 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 177.8 | -176.9 | -100.6 | 0 | 0 | 0 | 112.2 | I808 M824 F831 S848 I849 Q856 I857 | I808-F852 HydrophobicContact CG1-CD2 4.47Å; I808-F852 HydrophobicContact CG1-CG 4.3Å; I808-F852 HydrophobicContact CG2-CB 4.44Å; I808-F852 HydrophobicContact CG2-CD2 3.78Å; I808-F852 HydrophobicContact CG2-CE2 4.26Å; I808-F852 HydrophobicContact CG2-CG 4.26Å; M824-F852 HydrophobicContact CE-CE1 3.58Å; M824-F852 HydrophobicContact CE-CE2 4.49Å; M824-F852 HydrophobicContact CE-CZ 3.36Å; M824-F852 HydrophobicContact SD-CE1 3.42Å; M824-F852 WeakPolarHBondContact SD-CE1 3.3Å; M824-F852 HydrophobicContact SD-CZ 3.84Å; F831-F852 AromaticContact CE2-CD1 3.75Å; F831-F852 HydrophobicContact CE2-CD1 3.75Å; F831-F852 HydrophobicContact CE2-CE1 4.19Å; F831-F852 HydrophobicContact CZ-CD1 4.02Å; F831-F852 HydrophobicContact CZ-CE1 4.31Å; S848-F852 VanDerWaalsContact O-CB 3.32Å; S848-F852 WeakPolarHBondContact O-CB 3.43Å; S848-F852 PolarHBondContact O-N 3.41Å; I849-F852 PolarHBondContact O-N 3.24Å; F852-Q856 HydrophobicContact CD2-CB 4.46Å; F852-Q856 HydrophobicContact CD2-CG 4.33Å; F852-Q856 WeakPolarHBondContact O-CB 3.27Å; F852-Q856 PolarHBondContact O-N 3.48Å; F852-Q856 VanDerWaalsContact O-N 3.1Å; F852-I857 HydrophobicContact CD1-CD1 3.94Å; F852-I857 HydrophobicContact CD1-CG1 4.37Å; F852-I857 HydrophobicContact CE1-CD1 3.83Å; F852-I857 HydrophobicContact CE1-CG1 4.24Å; F852-I857 PolarHBondContact O-N 3.44Å |
| 853 | S | 88.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -65 | -40.8 | 178.1 | -67.5 | 0 | 0 | 0 | 0 | 113.5 | I849 L850 L858 L880 | I849-S853 WeakPolarHBondContact O-CB 3.47Å; I849-S853 PolarHBondContact O-N 3.34Å; I849-S853 PolarHBondContact O-OG 3.28Å; I849-S853 VanDerWaalsContact O-OG 3.11Å; L850-S853 PolarHBondContact O-N 3.32Å; S853-L858 PolarHBondContact O-N 2.81Å; S853-L880 WeakPolarHBondContact OG-CD2 3.45Å |
| 854 | T | 85.9 | Confident | 82.2 | Confident | 20 Ų | 20 | 44 Ų | 44 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -87.5 | -32.7 | -175.4 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | L850 D851 P859 F881 A922 | L850-T854 VanDerWaalsContact O-CB 3.31Å; L850-T854 WeakPolarHBondContact O-CB 3.37Å; L850-T854 VanDerWaalsContact O-CG2 3.31Å; L850-T854 WeakPolarHBondContact O-CG2 3.11Å; L850-T854 PolarHBondContact O-N 3.03Å; L850-T854 PolarHBondContact O-OG1 3.22Å; D851-T854 PolarHBondContact O-N 3.28Å; T854-P859 WeakPolarHBondContact O-CD 3.43Å; T854-F881 HydrophobicContact CG2-CE1 4.19Å; T854-F881 HydrophobicContact CG2-CZ 4.07Å; T854-A922 HydrophobicContact CG2-CB 3.85Å |
| 855 | Q | 84.8 | Confident | 80.9 | Confident | 129 Ų | 129 | 49.1 Ų | 49.1 | 60% | 0.603 | 25% | 0.253 | S | S | * | . | I | π-helix | trans | -94.1 | -25.9 | -176.2 | -56.4 | 179.2 | 11.2 | 0 | 0 | 113.2 | D851 | D851-Q855 WeakPolarHBondContact O-CA 3.29Å; D851-Q855 WeakPolarHBondContact O-CB 3.49Å; D851-Q855 VanDerWaalsContact O-CG 3.26Å; D851-Q855 WeakPolarHBondContact O-CG 3.07Å; D851-Q855 PolarHBondContact O-N 3Å; D851-Q855 PolarHBondContact OD1-NE2 2.88Å |
| 856 | Q | 82.2 | Confident | 79.2 | Confident | 65 Ų | 65 | 50.9 Ų | 50.9 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -111.5 | -50.3 | -178 | -56.3 | -171.2 | 5.5 | 0 | 0 | 112.5 | L816 F852 L860 | L816-Q856 HydrophobicContact CD1-CB 4.33Å; F852-Q856 HydrophobicContact CD2-CB 4.46Å; F852-Q856 HydrophobicContact CD2-CG 4.33Å; F852-Q856 WeakPolarHBondContact O-CB 3.27Å; F852-Q856 PolarHBondContact O-N 3.48Å; F852-Q856 VanDerWaalsContact O-N 3.1Å; Q856-L860 WeakPolarHBondContact O-CD1 3.5Å; Q856-L860 WeakPolarHBondContact O-CG 3.32Å |
| 857 | I | 83 | Confident | 77.4 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -77.5 | -50.5 | -173.6 | -55.8 | 174.8 | 0 | 0 | 0 | 111.7 | M824 L828 F852 L860 L861 L877 | M824-I857 HydrophobicContact CE-CD1 4.17Å; M824-I857 HydrophobicContact CE-CG1 4.05Å; M824-I857 HydrophobicContact CG-CD1 3.72Å; M824-I857 HydrophobicContact CG-CG1 4.14Å; M824-I857 HydrophobicContact SD-CD1 3.39Å; M824-I857 WeakPolarHBondContact SD-CD1 3.24Å; M824-I857 HydrophobicContact SD-CG1 3.94Å; L828-I857 HydrophobicContact CD1-CD1 4.3Å; L828-I857 HydrophobicContact CD2-CD1 3.61Å; L828-I857 HydrophobicContact CG-CD1 4.05Å; F852-I857 HydrophobicContact CD1-CD1 3.94Å; F852-I857 HydrophobicContact CD1-CG1 4.37Å; F852-I857 HydrophobicContact CE1-CD1 3.83Å; F852-I857 HydrophobicContact CE1-CG1 4.24Å; F852-I857 PolarHBondContact O-N 3.44Å; I857-L860 PolarHBondContact O-N 3.45Å; I857-L861 HydrophobicContact CG2-CD1 3.98Å; I857-L861 HydrophobicContact CG2-CG 4.38Å; I857-L861 PolarHBondContact O-N 3.36Å; I857-L861 VanDerWaalsContact O-N 3.15Å; I857-L877 HydrophobicContact CG2-CD1 4.5Å; I857-L877 HydrophobicContact CG2-CD2 4.26Å |
| 858 | L | 84.6 | Confident | 75.7 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.4 | -45.3 | -176.2 | -177.4 | 67.6 | 0 | 0 | 0 | 113.3 | S853 L860 L861 Q862 L877 A926 | S853-L858 PolarHBondContact O-N 2.81Å; L858-L860 VanDerWaalsContact C-N 3.31Å; L858-L860 PolarHBondContact O-N 3.1Å; L858-L861 PolarHBondContact O-N 2.92Å; L858-Q862 HydrophobicContact CD1-CG 4.39Å; L858-Q862 WeakPolarHBondContact O-CG 3.41Å; L858-Q862 PolarHBondContact O-N 3.03Å; L858-L877 HydrophobicContact CB-CD2 4.28Å; L858-L877 HydrophobicContact CD1-CD2 3.98Å; L858-A926 HydrophobicContact CD1-CB 4.12Å; L858-A926 HydrophobicContact CD2-CB 3.8Å |
| 859 | P | 82.8 | Confident | 74.2 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.1 | -32.6 | 179.2 | -23 | 36.8 | 0 | 0 | 0 | 113.1 | T854 Q862 Q863 | T854-P859 WeakPolarHBondContact O-CD 3.43Å; P859-Q862 PolarHBondContact O-N 3.22Å; P859-Q863 WeakPolarHBondContact O-CB 3.35Å; P859-Q863 WeakPolarHBondContact O-CG 3.34Å; P859-Q863 PolarHBondContact O-N 2.83Å |
| 860 | L | 77.9 | Confident | 73.1 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 176 | -69.9 | 169.3 | 0 | 0 | 0 | 111.8 | L816 Q856 I857 L858 Q862 | L816-L860 HydrophobicContact CB-CD1 3.49Å; L816-L860 VanDerWaalsContact CB-CD1 3.49Å; L816-L860 HydrophobicContact CD1-CD1 3.44Å; L816-L860 VanDerWaalsContact CD1-CD1 3.44Å; L816-L860 HydrophobicContact CG-CD1 4.07Å; Q856-L860 WeakPolarHBondContact O-CD1 3.5Å; Q856-L860 WeakPolarHBondContact O-CG 3.32Å; I857-L860 PolarHBondContact O-N 3.45Å; L858-L860 VanDerWaalsContact C-N 3.31Å; L858-L860 PolarHBondContact O-N 3.1Å; L860-Q862 VanDerWaalsContact C-N 3.32Å |
| 861 | L | 76.9 | Confident | 72.2 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.5 | -31 | 176.2 | -64.2 | 175.7 | 0 | 0 | 0 | 112.2 | I857 L858 I873 L877 | I857-L861 HydrophobicContact CG2-CD1 3.98Å; I857-L861 HydrophobicContact CG2-CG 4.38Å; I857-L861 PolarHBondContact O-N 3.36Å; I857-L861 VanDerWaalsContact O-N 3.15Å; L858-L861 PolarHBondContact O-N 2.92Å; L861-I873 HydrophobicContact CD1-CG2 4.33Å; L861-I873 HydrophobicContact CD2-CG2 4.27Å; L861-L877 HydrophobicContact CD1-CD2 3.77Å |
| 862 | Q | 74.4 | Confident | 71.7 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 46% | 0.463 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -81 | -32.4 | 179.6 | -73.3 | 177.8 | -16.6 | 0 | 0 | 114 | L858 P859 L860 | L858-Q862 HydrophobicContact CD1-CG 4.39Å; L858-Q862 WeakPolarHBondContact O-CG 3.41Å; L858-Q862 PolarHBondContact O-N 3.03Å; P859-Q862 PolarHBondContact O-N 3.22Å; L860-Q862 VanDerWaalsContact C-N 3.32Å |
| 863 | Q | 69.8 | Low | 71.5 | Confident | 160 Ų | 160 | 70.7 Ų | 70.7 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -76.1 | -26.9 | -179.4 | -76.7 | 179.2 | 6.3 | 0 | 0 | 113.2 | P859 | P859-Q863 WeakPolarHBondContact O-CB 3.35Å; P859-Q863 WeakPolarHBondContact O-CG 3.34Å; P859-Q863 PolarHBondContact O-N 2.83Å |
| 864 | Q | 60.5 | Low | 71.3 | Confident | 94 Ų | 94 | 71.8 Ų | 71.8 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -99.8 | 101 | 179.1 | -64 | -175.8 | -7.5 | 0 | 0 | 107.7 | A866 | Q864-A866 PolarHBondContact O-N 3.36Š|
| 865 | N | 53.1 | Low | 71.3 | Confident | 165 Ų | 165 | 72.9 Ų | 72.9 | 88% | 0.882 | 40% | 0.4 | S | S | * | . | trans | -59.4 | 78.6 | 166.8 | -80.9 | -19.8 | 0 | 0 | 0 | 109 | A867 | N865-A867 VanDerWaalsContact C-N 3.34Å; N865-A867 PolarHBondContact O-N 2.97Å; N865-A867 VanDerWaalsContact O-N 3.09Å | ||
| 866 | A | 46.5 | Very low | 71.4 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | trans | -85.9 | 80.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q864 T868 N870 | Q864-A866 PolarHBondContact O-N 3.36Å; A866-T868 PolarHBondContact O-N 3.39Å; A866-N870 HydrophobicContact CB-CB 3.9Å; A866-N870 VanDerWaalsContact CB-ND2 3.32Å; A866-N870 WeakPolarHBondContact CB-ND2 3.38Å | ||
| 867 | A | 47.8 | Very low | 71.7 | Confident | 83 Ų | 83 | 65 Ų | 65 | 69% | 0.686 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -54.6 | 121.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | N865 D869 | N865-A867 VanDerWaalsContact C-N 3.34Å; N865-A867 PolarHBondContact O-N 2.97Å; N865-A867 VanDerWaalsContact O-N 3.09Å; A867-D869 PolarHBondContact O-N 3Å |
| 868 | T | 52.1 | Low | 72 | Confident | 127 Ų | 127 | 65.3 Ų | 65.3 | 78% | 0.779 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 75.5 | -38.4 | 166.2 | 56.8 | 0 | 0 | 0 | 0 | 121.1 | A866 | A866-T868 PolarHBondContact O-N 3.39Š|
| 869 | D | 54.8 | Low | 72.2 | Confident | 141 Ų | 141 | 65.4 Ų | 65.4 | 75% | 0.754 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -10.9 | -165 | -67.6 | -3.5 | 0 | 0 | 0 | 116.7 | A867 | A867-D869 PolarHBondContact O-N 3Š|
| 870 | N | 65.9 | Low | 72.6 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 17.1 | -170.9 | -67.7 | -28.2 | 0 | 0 | 0 | 115.5 | A866 E872 T874 | A866-N870 HydrophobicContact CB-CB 3.9Å; A866-N870 VanDerWaalsContact CB-ND2 3.32Å; A866-N870 WeakPolarHBondContact CB-ND2 3.38Å; N870-E872 VanDerWaalsContact C-N 3.35Å; N870-E872 PolarHBondContact O-N 3.42Å; N870-T874 PolarHBondContact O-N 2.99Å; N870-T874 PolarHBondContact O-OG1 3.13Å |
| 871 | S | 69.4 | Low | 73.3 | Confident | 47 Ų | 47 | 61 Ų | 61 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -36.6 | -175.9 | -179 | 0 | 0 | 0 | 0 | 112.8 | I873 T874 S875 D936 | S871-I873 PolarHBondContact O-N 2.85Å; S871-T874 PolarHBondContact O-N 3.22Å; S871-S875 WeakPolarHBondContact O-CB 3.47Å; S871-S875 PolarHBondContact O-N 3.44Å; S871-S875 PolarHBondContact O-OG 3.08Å; S871-D936 PolarHBondContact OG-OD2 3.14Å |
| 872 | E | 77.3 | Confident | 73.9 | Confident | 138 Ų | 138 | 61.2 Ų | 61.2 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | -177.7 | -65.2 | -174.6 | 176.1 | 0 | 0 | 113.1 | N870 S875 L876 | N870-E872 VanDerWaalsContact C-N 3.35Å; N870-E872 PolarHBondContact O-N 3.42Å; E872-S875 PolarHBondContact O-N 3.45Å; E872-S875 PolarHBondContact O-OG 3.3Å; E872-L876 WeakPolarHBondContact O-CG 3.39Å; E872-L876 PolarHBondContact O-N 3.27Å |
| 873 | I | 83.4 | Confident | 74.6 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.3 | -37.7 | -179.3 | -66.6 | 173.5 | 0 | 0 | 0 | 110.9 | L821 E825 L828 L861 S871 S875 L876 L877 | L821-I873 HydrophobicContact CB-CD1 3.46Å; L821-I873 VanDerWaalsContact CB-CD1 3.46Å; L821-I873 HydrophobicContact CD1-CD1 4.41Å; L821-I873 HydrophobicContact CD2-CD1 4.15Å; L821-I873 HydrophobicContact CG-CD1 4.21Å; L821-I873 WeakPolarHBondContact O-CD1 3.46Å; E825-I873 HydrophobicContact CB-CG1 4.2Å; E825-I873 HydrophobicContact CG-CG1 4.44Å; L828-I873 HydrophobicContact CD1-CG2 3.94Å; L861-I873 HydrophobicContact CD1-CG2 4.33Å; L861-I873 HydrophobicContact CD2-CG2 4.27Å; S871-I873 PolarHBondContact O-N 2.85Å; I873-S875 VanDerWaalsContact C-N 3.34Å; I873-L876 PolarHBondContact O-N 3.41Å; I873-L877 WeakPolarHBondContact O-CB 3.32Å; I873-L877 PolarHBondContact O-N 3.41Å |
| 874 | T | 83.4 | Confident | 75.5 | Confident | 22 Ų | 22 | 49 Ų | 49 | 14% | 0.135 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 174.2 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | N870 S871 L876 L877 Y878 M930 | N870-T874 PolarHBondContact O-N 2.99Å; N870-T874 PolarHBondContact O-OG1 3.13Å; S871-T874 PolarHBondContact O-N 3.22Å; T874-L876 PolarHBondContact O-N 3.3Å; T874-L877 PolarHBondContact O-N 3.18Å; T874-Y878 HydrophobicContact CG2-CD2 3.84Å; T874-Y878 HydrophobicContact CG2-CE2 3.53Å; T874-Y878 WeakPolarHBondContact O-CD2 3.38Å; T874-Y878 PolarHBondContact O-N 2.63Å; T874-M930 HydrophobicContact CG2-CE 4.38Å |
| 875 | S | 86.5 | Confident | 76.8 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 30% | 0.301 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 177.1 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | S871 E872 I873 L877 Y878 A879 N939 | S871-S875 WeakPolarHBondContact O-CB 3.47Å; S871-S875 PolarHBondContact O-N 3.44Å; S871-S875 PolarHBondContact O-OG 3.08Å; E872-S875 PolarHBondContact O-N 3.45Å; E872-S875 PolarHBondContact O-OG 3.3Å; I873-S875 VanDerWaalsContact C-N 3.34Å; S875-L877 PolarHBondContact O-N 3.01Å; S875-Y878 PolarHBondContact O-N 3.48Å; S875-A879 VanDerWaalsContact O-CB 3.25Å; S875-A879 WeakPolarHBondContact O-CB 3.34Å; S875-A879 PolarHBondContact O-N 2.99Å; S875-N939 WeakPolarHBondContact CA-OD1 3.29Å; S875-N939 VanDerWaalsContact CB-OD1 3.22Å; S875-N939 WeakPolarHBondContact CB-OD1 3.3Å; S875-N939 PolarHBondContact N-OD1 3.39Å |
| 876 | L | 86.3 | Confident | 78.4 | Confident | 30 Ų | 30 | 38.3 Ų | 38.3 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 175.2 | -75.9 | 168 | 0 | 0 | 0 | 112.7 | E825 L828 Q829 E872 I873 T874 A879 L880 | E825-L876 HydrophobicContact CB-CD1 4.33Å; E825-L876 HydrophobicContact CG-CD1 3.29Å; L828-L876 HydrophobicContact CB-CB 4.46Å; L828-L876 HydrophobicContact CD1-CB 4.38Å; Q829-L876 HydrophobicContact CG-CD1 4.2Å; Q829-L876 HydrophobicContact CG-CD2 3.78Å; E872-L876 WeakPolarHBondContact O-CG 3.39Å; E872-L876 PolarHBondContact O-N 3.27Å; I873-L876 PolarHBondContact O-N 3.41Å; T874-L876 PolarHBondContact O-N 3.3Å; L876-A879 PolarHBondContact O-N 3.48Å; L876-L880 WeakPolarHBondContact O-CB 3.44Å; L876-L880 PolarHBondContact O-N 2.94Å |
| 877 | L | 89.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | 175.9 | -178.3 | 66 | 0 | 0 | 0 | 111.2 | L828 I857 L858 L861 I873 T874 S875 A879 L880 F881 | L828-L877 HydrophobicContact CD2-CD1 4.2Å; I857-L877 HydrophobicContact CG2-CD1 4.5Å; I857-L877 HydrophobicContact CG2-CD2 4.26Å; L858-L877 HydrophobicContact CB-CD2 4.28Å; L858-L877 HydrophobicContact CD1-CD2 3.98Å; L861-L877 HydrophobicContact CD1-CD2 3.77Å; I873-L877 WeakPolarHBondContact O-CB 3.32Å; I873-L877 PolarHBondContact O-N 3.41Å; T874-L877 PolarHBondContact O-N 3.18Å; S875-L877 PolarHBondContact O-N 3.01Å; L877-A879 VanDerWaalsContact C-N 3.35Å; L877-L880 WeakPolarHBondContact O-CB 3.33Å; L877-L880 PolarHBondContact O-N 2.75Å; L877-F881 HydrophobicContact CD1-CE1 4.02Å; L877-F881 HydrophobicContact CD1-CE2 4.18Å; L877-F881 HydrophobicContact CD1-CZ 3.71Å; L877-F881 HydrophobicContact CD2-CE2 4.25Å; L877-F881 HydrophobicContact CD2-CZ 4.34Å; L877-F881 HydrophobicContact CG-CD2 4.46Å; L877-F881 HydrophobicContact CG-CE2 3.86Å; L877-F881 HydrophobicContact CG-CZ 3.92Å; L877-F881 WeakPolarHBondContact O-CG 3.46Å; L877-F881 PolarHBondContact O-N 3.4Å |
| 878 | Y | 89.5 | Confident | 82.1 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -36.3 | 176.6 | -73.5 | -67.8 | 0 | 0 | 0 | 112.3 | T874 S875 L880 F881 D882 A926 Y927 M930 V943 | T874-Y878 HydrophobicContact CG2-CD2 3.84Å; T874-Y878 HydrophobicContact CG2-CE2 3.53Å; T874-Y878 WeakPolarHBondContact O-CD2 3.38Å; T874-Y878 PolarHBondContact O-N 2.63Å; S875-Y878 PolarHBondContact O-N 3.48Å; Y878-L880 VanDerWaalsContact C-N 3.34Å; Y878-L880 PolarHBondContact O-N 3.26Å; Y878-F881 HydrophobicContact CD1-CD2 4.14Å; Y878-F881 HydrophobicContact CE1-CD2 4.34Å; Y878-F881 PolarHBondContact O-N 2.98Å; Y878-D882 PolarHBondContact O-N 2.67Å; Y878-A926 HydrophobicContact CE1-CB 4.07Å; Y878-A926 PolarHBondContact OH-O 2.88Å; Y878-Y927 AromaticContact CD1-CD1 3.71Å; Y878-Y927 HydrophobicContact CD1-CD1 3.71Å; Y878-Y927 AromaticContact CD1-CE1 3.66Å; Y878-Y927 HydrophobicContact CD1-CE1 3.66Å; Y878-Y927 AromaticContact CE1-CD1 3.89Å; Y878-Y927 HydrophobicContact CE1-CD1 3.89Å; Y878-Y927 HydrophobicContact CE1-CE1 4.28Å; Y878-M930 HydrophobicContact CD2-CG 4.36Å; Y878-M930 HydrophobicContact CE1-CG 3.69Å; Y878-M930 HydrophobicContact CE2-CE 4.14Å; Y878-M930 HydrophobicContact CE2-CG 3.45Å; Y878-M930 VanDerWaalsContact CE2-CG 3.45Å; Y878-M930 HydrophobicContact CE2-SD 3.58Å; Y878-M930 VanDerWaalsContact CE2-SD 3.58Å; Y878-M930 WeakPolarHBondContact OH-CG 3.4Å; Y878-M930 PolarHBondContact OH-SD 3.01Å; Y878-M930 VanDerWaalsContact OH-SD 3.33Å; Y878-V943 HydrophobicContact CD1-CG2 3.73Å; Y878-V943 HydrophobicContact CE1-CG2 4.26Å; Y878-V943 HydrophobicContact CG-CG2 4.1Å |
| 879 | A | 88.6 | Confident | 83.7 | Confident | 18 Ų | 18 | 30.7 Ų | 30.7 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -35.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K832 S875 L876 L877 S883 | K832-A879 HydrophobicContact CD-CB 4.46Å; S875-A879 VanDerWaalsContact O-CB 3.25Å; S875-A879 WeakPolarHBondContact O-CB 3.34Å; S875-A879 PolarHBondContact O-N 2.99Å; L876-A879 PolarHBondContact O-N 3.48Å; L877-A879 VanDerWaalsContact C-N 3.35Å; A879-S883 WeakPolarHBondContact O-CB 3.3Å; A879-S883 PolarHBondContact O-N 2.78Å; A879-S883 PolarHBondContact O-OG 3.15Å |
| 880 | L | 91.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 171.6 | 173.3 | 65.6 | 0 | 0 | 0 | 110.4 | L828 F831 K832 V835 I849 S853 L876 L877 Y878 D882 S883 V884 | L828-L880 HydrophobicContact CD2-CD2 3.85Å; F831-L880 HydrophobicContact CB-CD1 3.8Å; F831-L880 HydrophobicContact CB-CD2 4.08Å; F831-L880 HydrophobicContact CD2-CD2 4.13Å; K832-L880 HydrophobicContact CB-CD1 4.24Å; V835-L880 HydrophobicContact CG2-CD1 4.1Å; I849-L880 HydrophobicContact CG2-CD2 4.21Å; S853-L880 WeakPolarHBondContact OG-CD2 3.45Å; L876-L880 WeakPolarHBondContact O-CB 3.44Å; L876-L880 PolarHBondContact O-N 2.94Å; L877-L880 WeakPolarHBondContact O-CB 3.33Å; L877-L880 PolarHBondContact O-N 2.75Å; Y878-L880 VanDerWaalsContact C-N 3.34Å; Y878-L880 PolarHBondContact O-N 3.26Å; L880-D882 VanDerWaalsContact C-N 3.33Å; L880-D882 PolarHBondContact O-N 3.21Å; L880-S883 WeakPolarHBondContact O-CB 3.41Å; L880-S883 PolarHBondContact O-N 3.01Å; L880-V884 HydrophobicContact CD1-CG2 4.33Å; L880-V884 WeakPolarHBondContact O-CG2 3.45Å; L880-V884 PolarHBondContact O-N 2.99Å |
| 881 | F | 91.4 | Very high | 86 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 177.5 | -68.7 | -21 | 0 | 0 | 0 | 112.7 | L850 T854 L877 Y878 V884 L885 I923 A926 Y927 | L850-F881 HydrophobicContact CD2-CE1 4.47Å; T854-F881 HydrophobicContact CG2-CE1 4.19Å; T854-F881 HydrophobicContact CG2-CZ 4.07Å; L877-F881 HydrophobicContact CD1-CE1 4.02Å; L877-F881 HydrophobicContact CD1-CE2 4.18Å; L877-F881 HydrophobicContact CD1-CZ 3.71Å; L877-F881 HydrophobicContact CD2-CE2 4.25Å; L877-F881 HydrophobicContact CD2-CZ 4.34Å; L877-F881 HydrophobicContact CG-CD2 4.46Å; L877-F881 HydrophobicContact CG-CE2 3.86Å; L877-F881 HydrophobicContact CG-CZ 3.92Å; L877-F881 WeakPolarHBondContact O-CG 3.46Å; L877-F881 PolarHBondContact O-N 3.4Å; Y878-F881 HydrophobicContact CD1-CD2 4.14Å; Y878-F881 HydrophobicContact CE1-CD2 4.34Å; Y878-F881 PolarHBondContact O-N 2.98Å; F881-V884 PolarHBondContact O-N 3.34Å; F881-L885 WeakPolarHBondContact O-CG 3.37Å; F881-L885 PolarHBondContact O-N 3.37Å; F881-I923 HydrophobicContact CB-CG2 3.76Å; F881-I923 HydrophobicContact CD1-CD1 4.28Å; F881-I923 HydrophobicContact CD1-CG1 3.84Å; F881-I923 HydrophobicContact CD2-CG2 4.26Å; F881-I923 HydrophobicContact CE1-CG1 4.16Å; F881-I923 HydrophobicContact CG-CG1 4.12Å; F881-I923 HydrophobicContact CG-CG2 3.96Å; F881-A926 HydrophobicContact CE2-CB 3.97Å; F881-Y927 HydrophobicContact CB-CE1 3.78Å; F881-Y927 HydrophobicContact CD2-CE1 4.12Å; F881-Y927 HydrophobicContact CG-CE1 4.46Å |
| 882 | D | 90.7 | Very high | 86.8 | Confident | 32 Ų | 32 | 25 Ų | 25 | 17% | 0.171 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 173.3 | 174.6 | 49.6 | 0 | 0 | 0 | 111.3 | Y878 L880 V884 L885 T886 Y927 S946 | Y878-D882 PolarHBondContact O-N 2.67Å; L880-D882 VanDerWaalsContact C-N 3.33Å; L880-D882 PolarHBondContact O-N 3.21Å; D882-V884 VanDerWaalsContact C-N 3.28Å; D882-V884 PolarHBondContact O-N 2.97Å; D882-L885 PolarHBondContact O-N 3.09Å; D882-T886 WeakPolarHBondContact O-CB 3.42Å; D882-T886 WeakPolarHBondContact O-CG2 3.36Å; D882-T886 PolarHBondContact O-N 2.6Å; D882-T886 PolarHBondContact O-OG1 3.24Å; D882-T886 WeakPolarHBondContact OD1-CG2 3.15Å; D882-Y927 WeakPolarHBondContact CA-OH 3.46Å; D882-Y927 PolarHBondContact N-OH 2.9Å; D882-Y927 VanDerWaalsContact N-OH 3.14Å; D882-S946 WeakPolarHBondContact OD1-CA 3.45Å; D882-S946 VanDerWaalsContact OD1-CB 3.22Å; D882-S946 WeakPolarHBondContact OD1-CB 3.5Å; D882-S946 PolarHBondContact OD1-OG 3.38Å |
| 883 | S | 88.5 | Confident | 87 | Confident | 4 Ų | 4 | 18.9 Ų | 18.9 | 3% | 0.028 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.7 | -38.5 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | V835 A879 L880 T886 C887 | V835-S883 VanDerWaalsContact CG1-C 3.5Å; V835-S883 WeakPolarHBondContact CG1-O 3.5Å; A879-S883 WeakPolarHBondContact O-CB 3.3Å; A879-S883 PolarHBondContact O-N 2.78Å; A879-S883 PolarHBondContact O-OG 3.15Å; L880-S883 WeakPolarHBondContact O-CB 3.41Å; L880-S883 PolarHBondContact O-N 3.01Å; S883-T886 PolarHBondContact O-OG1 3.09Å; S883-C887 WeakPolarHBondContact O-CB 3.29Å; S883-C887 PolarHBondContact O-N 2.67Å |
| 884 | V | 89.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.8 | -46.5 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | V835 L846 L850 L880 F881 D882 K888 F892 I923 | V835-V884 HydrophobicContact CB-CG2 4.42Å; V835-V884 HydrophobicContact CG1-CB 4.27Å; V835-V884 HydrophobicContact CG1-CG2 3.71Å; V835-V884 HydrophobicContact CG2-CG2 3.87Å; L846-V884 HydrophobicContact CD1-CG1 4.1Å; L846-V884 HydrophobicContact CD1-CG2 3.83Å; L846-V884 HydrophobicContact CD2-CG1 4.19Å; L850-V884 HydrophobicContact CD1-CG1 4.35Å; L850-V884 HydrophobicContact CD2-CG1 4.38Å; L850-V884 HydrophobicContact CD2-CG2 4.24Å; L880-V884 HydrophobicContact CD1-CG2 4.33Å; L880-V884 WeakPolarHBondContact O-CG2 3.45Å; L880-V884 PolarHBondContact O-N 2.99Å; F881-V884 PolarHBondContact O-N 3.34Å; D882-V884 VanDerWaalsContact C-N 3.28Å; D882-V884 PolarHBondContact O-N 2.97Å; V884-K888 CarbonylContact O-C 3.5Å; V884-K888 WeakPolarHBondContact O-CA 3.3Å; V884-K888 PolarHBondContact O-N 2.88Å; V884-K888 VanDerWaalsContact O-N 3.09Å; V884-F892 HydrophobicContact CG1-CE2 3.93Å; V884-F892 HydrophobicContact CG1-CZ 4.1Å; V884-I923 HydrophobicContact CG1-CD1 4.31Å |
| 885 | L | 88.1 | Confident | 85.4 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | 179.4 | -68.3 | 172.1 | 0 | 0 | 0 | 112 | F881 D882 W889 F892 F920 I923 Y927 V950 | F881-L885 WeakPolarHBondContact O-CG 3.37Å; F881-L885 PolarHBondContact O-N 3.37Å; D882-L885 PolarHBondContact O-N 3.09Å; L885-W889 HydrophobicContact CD2-CZ3 4.27Å; L885-F892 HydrophobicContact CD2-CD2 4.31Å; L885-F892 HydrophobicContact CD2-CE2 3.86Å; L885-F920 HydrophobicContact CD2-CD2 4.25Å; L885-F920 HydrophobicContact CD2-CE2 4.1Å; L885-I923 HydrophobicContact CD1-CG2 3.9Å; L885-I923 HydrophobicContact CG-CG2 4.38Å; L885-Y927 HydrophobicContact CD1-CE2 4.05Å; L885-V950 HydrophobicContact CB-CG1 4.43Å; L885-V950 HydrophobicContact CB-CG2 3.68Å; L885-V950 HydrophobicContact CD1-CG2 4.42Å |
| 886 | T | 86.6 | Confident | 83.7 | Confident | 31 Ų | 31 | 36.1 Ų | 36.1 | 19% | 0.19 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -81.8 | -42.8 | -175.6 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | D882 S883 V950 | D882-T886 WeakPolarHBondContact O-CB 3.42Å; D882-T886 WeakPolarHBondContact O-CG2 3.36Å; D882-T886 PolarHBondContact O-N 2.6Å; D882-T886 PolarHBondContact O-OG1 3.24Å; D882-T886 WeakPolarHBondContact OD1-CG2 3.15Å; S883-T886 PolarHBondContact O-OG1 3.09Å; T886-V950 HydrophobicContact CG2-CG2 3.77Å |
| 887 | C | 85.3 | Confident | 81.5 | Confident | 61 Ų | 61 | 42.9 Ų | 42.9 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -91.9 | -28.6 | -175 | -60.4 | 0 | 0 | 0 | 0 | 113.7 | S883 | S883-C887 WeakPolarHBondContact O-CB 3.29Å; S883-C887 PolarHBondContact O-N 2.67Å |
| 888 | K | 86.6 | Confident | 78.7 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | trans | -122.5 | 34 | -173.5 | -58 | -67.3 | 165.8 | 168.4 | 0 | 112.8 | V835 Q837 G839 S842 L843 L846 V884 Q890 F891 | V835-K888 HydrophobicContact CG1-CG 3.99Å; V835-K888 WeakPolarHBondContact O-CE 3.49Å; Q837-K888 PolarHBondContact O-NZ 3.05Å; G839-K888 PolarHBondContact O-NZ 2.99Å; S842-K888 VanDerWaalsContact OG-CE 3.31Å; S842-K888 WeakPolarHBondContact OG-CE 3.25Å; S842-K888 PolarHBondContact OG-NZ 3.47Å; L843-K888 HydrophobicContact CD2-CD 4.19Å; L846-K888 HydrophobicContact CD2-CB 4.17Å; V884-K888 CarbonylContact O-C 3.5Å; V884-K888 WeakPolarHBondContact O-CA 3.3Å; V884-K888 PolarHBondContact O-N 2.88Å; V884-K888 VanDerWaalsContact O-N 3.09Å; K888-Q890 PolarHBondContact O-N 2.93Å; K888-F891 WeakPolarHBondContact O-CB 3.4Å; K888-F891 PolarHBondContact O-N 3.36Å | ||
| 889 | W | 85.9 | Confident | 75.9 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -49.4 | -33.1 | 175.1 | -170.8 | -103.4 | 0 | 0 | 0 | 113.9 | L885 F891 F892 Y893 F920 V950 S954 L956 R959 | L885-W889 HydrophobicContact CD2-CZ3 4.27Å; W889-F891 PolarHBondContact O-N 3Å; W889-F891 VanDerWaalsContact O-N 3.09Å; W889-F892 PolarHBondContact O-N 3.17Å; W889-Y893 HydrophobicContact CD2-CD2 4.26Å; W889-Y893 AromaticContact CE2-CD2 3.45Å; W889-Y893 VanDerWaalsContact CE2-CD2 3.45Å; W889-Y893 AromaticContact CH2-CD2 3.96Å; W889-Y893 HydrophobicContact CH2-CD2 3.96Å; W889-Y893 AromaticContact CH2-CE2 3.72Å; W889-Y893 HydrophobicContact CH2-CE2 3.72Å; W889-Y893 AromaticContact CZ2-CD2 3.27Å; W889-Y893 HydrophobicContact CZ2-CD2 3.27Å; W889-Y893 AromaticContact CZ2-CE2 3.42Å; W889-Y893 HydrophobicContact CZ2-CE2 3.42Å; W889-Y893 VanDerWaalsContact CZ2-CE2 3.42Å; W889-Y893 HydrophobicContact CZ2-CG 4.28Å; W889-Y893 AromaticContact NE1-CD2 3.69Å; W889-Y893 PolarHBondContact O-N 3.5Å; W889-F920 HydrophobicContact CH2-CE2 4.22Å; W889-F920 HydrophobicContact CZ3-CE2 4.19Å; W889-V950 HydrophobicContact CE3-CG1 4.14Å; W889-V950 HydrophobicContact CH2-CG1 4.2Å; W889-V950 HydrophobicContact CZ3-CG1 3.58Å; W889-S954 WeakPolarHBondContact CH2-OG 3.44Å; W889-S954 WeakPolarHBondContact CZ2-OG 3.34Å; W889-L956 HydrophobicContact CH2-CD1 3.95Å; W889-L956 HydrophobicContact CZ3-CD1 4.38Å; W889-R959 HydrophobicContact CZ2-CG 4.42Å |
| 890 | Q | 84.4 | Confident | 73.4 | Confident | 74 Ų | 74 | 57.3 Ų | 57.3 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -58 | -20.6 | 176 | 68.1 | -176.3 | -12.5 | 0 | 0 | 114.8 | L843 K888 Y893 | L843-Q890 HydrophobicContact CD1-CG 4.29Å; L843-Q890 HydrophobicContact CD2-CG 4.08Å; K888-Q890 PolarHBondContact O-N 2.93Å; Q890-Y893 CarbonylContact C-O 3.09Å; Q890-Y893 VanDerWaalsContact CA-O 3.23Å; Q890-Y893 WeakPolarHBondContact CA-O 3.44Å |
| 891 | F | 84.6 | Confident | 70.8 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 6% | 0.057 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -68.5 | -36.5 | 173.7 | -178.7 | -108.9 | 0 | 0 | 0 | 111.7 | L843 L846 P847 L850 K888 W889 H916 | L843-F891 HydrophobicContact CD2-CB 4.1Å; L843-F891 HydrophobicContact CD2-CD2 4.45Å; L846-F891 HydrophobicContact CB-CD2 4.49Å; L846-F891 HydrophobicContact CB-CE2 4.3Å; L846-F891 HydrophobicContact CD2-CB 3.74Å; L846-F891 HydrophobicContact CD2-CD1 3.59Å; L846-F891 HydrophobicContact CD2-CD2 3.73Å; L846-F891 HydrophobicContact CD2-CE1 4.05Å; L846-F891 HydrophobicContact CD2-CE2 4.17Å; L846-F891 HydrophobicContact CD2-CG 3.41Å; L846-F891 VanDerWaalsContact CD2-CG 3.41Å; L846-F891 HydrophobicContact CD2-CZ 4.31Å; L846-F891 HydrophobicContact CG-CD1 4.39Å; L846-F891 HydrophobicContact CG-CD2 4.5Å; L846-F891 HydrophobicContact CG-CE1 4.37Å; L846-F891 HydrophobicContact CG-CE2 4.47Å; L846-F891 HydrophobicContact CG-CG 4.45Å; L846-F891 HydrophobicContact CG-CZ 4.41Å; P847-F891 HydrophobicContact CG-CE2 4.12Å; P847-F891 HydrophobicContact CG-CZ 4.14Å; L850-F891 HydrophobicContact CD1-CE1 3.96Å; K888-F891 WeakPolarHBondContact O-CB 3.4Å; K888-F891 PolarHBondContact O-N 3.36Å; W889-F891 PolarHBondContact O-N 3Å; W889-F891 VanDerWaalsContact O-N 3.09Å; F891-H916 HydrophobicContact CD1-CB 4.42Å; F891-H916 AromaticContact CD1-CD2 3.97Å; F891-H916 AromaticContact CD2-CD2 3.72Å; F891-H916 HydrophobicContact CE1-CB 3.81Å; F891-H916 AromaticContact CE1-CD2 3.6Å; F891-H916 AromaticContact CE1-CG 3.8Å; F891-H916 AromaticContact CE2-CD2 3.33Å; F891-H916 WeakPolarHBondContact CE2-CD2 3.22Å; F891-H916 AromaticContact CE2-NE2 3.47Å; F891-H916 WeakPolarHBondContact CE2-NE2 3.47Å; F891-H916 HydrophobicContact CZ-CB 4.13Å; F891-H916 AromaticContact CZ-CD2 3.26Å; F891-H916 WeakPolarHBondContact CZ-CD2 3.38Å; F891-H916 AromaticContact CZ-CG 3.62Å; F891-H916 AromaticContact CZ-NE2 3.72Å; F891-H916 PolarHBondContact O-CD2 3.1Å |
| 892 | F | 85.1 | Confident | 67.8 | Low | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -37.3 | 180 | -58.9 | -66.5 | 0 | 0 | 0 | 112.3 | V884 L885 W889 N914 L915 H916 H919 F920 I923 | V884-F892 HydrophobicContact CG1-CE2 3.93Å; V884-F892 HydrophobicContact CG1-CZ 4.1Å; L885-F892 HydrophobicContact CD2-CD2 4.31Å; L885-F892 HydrophobicContact CD2-CE2 3.86Å; W889-F892 PolarHBondContact O-N 3.17Å; F892-N914 CarbonylContact O-C 3.4Å; F892-N914 WeakPolarHBondContact O-CA 3.01Å; F892-N914 PolarHBondContact O-OD1 3.42Å; F892-L915 PolarHBondContact O-N 2.99Å; F892-H916 HydrophobicContact CD1-CB 4.4Å; F892-H919 HydrophobicContact CE1-CB 4.21Å; F892-F920 HydrophobicContact CB-CD2 4.4Å; F892-F920 HydrophobicContact CD1-CB 3.72Å; F892-F920 AromaticContact CD1-CD2 3.91Å; F892-F920 HydrophobicContact CD1-CD2 3.91Å; F892-F920 HydrophobicContact CD1-CG 4.25Å; F892-F920 HydrophobicContact CD2-CD2 4.19Å; F892-F920 HydrophobicContact CE1-CB 3.77Å; F892-F920 HydrophobicContact CE1-CD2 4.19Å; F892-F920 HydrophobicContact CE2-CD2 4.46Å; F892-F920 AromaticContact CG-CD2 3.91Å; F892-F920 HydrophobicContact CG-CD2 3.91Å; F892-F920 HydrophobicContact CZ-CD2 4.46Å; F892-I923 HydrophobicContact CZ-CD1 3.99Å |
| 893 | Y | 82.8 | Confident | 64.9 | Low | 10 Ų | 10 | 74.4 Ų | 74.4 | 4% | 0.039 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -137.2 | 138.5 | -176.1 | -61.3 | -84.1 | 0 | 0 | 0 | 111.6 | W889 Q890 N914 F920 | W889-Y893 HydrophobicContact CD2-CD2 4.26Å; W889-Y893 AromaticContact CE2-CD2 3.45Å; W889-Y893 VanDerWaalsContact CE2-CD2 3.45Å; W889-Y893 AromaticContact CH2-CD2 3.96Å; W889-Y893 HydrophobicContact CH2-CD2 3.96Å; W889-Y893 AromaticContact CH2-CE2 3.72Å; W889-Y893 HydrophobicContact CH2-CE2 3.72Å; W889-Y893 AromaticContact CZ2-CD2 3.27Å; W889-Y893 HydrophobicContact CZ2-CD2 3.27Å; W889-Y893 AromaticContact CZ2-CE2 3.42Å; W889-Y893 HydrophobicContact CZ2-CE2 3.42Å; W889-Y893 VanDerWaalsContact CZ2-CE2 3.42Å; W889-Y893 HydrophobicContact CZ2-CG 4.28Å; W889-Y893 AromaticContact NE1-CD2 3.69Å; W889-Y893 PolarHBondContact O-N 3.5Å; Q890-Y893 CarbonylContact C-O 3.09Å; Q890-Y893 VanDerWaalsContact CA-O 3.23Å; Q890-Y893 WeakPolarHBondContact CA-O 3.44Å; Y893-N914 HydrophobicContact CE1-CB 4.02Å; Y893-N914 PolarHBondContact OH-ND2 3.33Å; Y893-F920 HydrophobicContact CE2-CE2 4.35Å; Y893-F920 HydrophobicContact CE2-CZ 4.49Å |
| 894 | K | 73.3 | Confident | 62.4 | Low | 155 Ų | 155 | 78.7 Ų | 78.7 | 67% | 0.674 | 47% | 0.473 | S | S | * | . | trans | -68 | 136.8 | 176.9 | -64.8 | -177.3 | 179.4 | 175 | 0 | 111.7 | Q896 L915 | K894-Q896 PolarHBondContact O-N 2.98Å; K894-L915 HydrophobicContact CG-CD1 4.12Å | ||
| 895 | N | 58.4 | Low | 59.5 | Low | 123 Ų | 123 | 81.8 Ų | 81.8 | 66% | 0.658 | 51% | 0.505 | S | S | * | . | trans | -71.4 | 112.4 | 173.4 | -89.2 | -8.7 | 0 | 0 | 0 | 110.9 | L897 | N895-L897 VanDerWaalsContact C-N 3.3Å; N895-L897 PolarHBondContact O-N 2.84Å | ||
| 896 | Q | 50.5 | Low | 57.1 | Low | 162 Ų | 162 | 87.9 Ų | 87.9 | 76% | 0.757 | 55% | 0.548 | S | S | * | . | trans | -87.7 | 57.6 | 177.8 | -72.5 | -87 | -0.6 | 0 | 0 | 111.7 | K894 | K894-Q896 PolarHBondContact O-N 2.98Š| ||
| 897 | L | 42 | Very low | 54.4 | Low | 172 Ų | 172 | 89.4 Ų | 89.4 | 90% | 0.901 | 57% | 0.57 | S | S | * | * | trans | -137 | 61 | 171.2 | -77.3 | 169.2 | 0 | 0 | 0 | 110.3 | N895 | N895-L897 VanDerWaalsContact C-N 3.3Å; N895-L897 PolarHBondContact O-N 2.84Å | ||
| 898 | S | 30.1 | Very low | 52 | Low | 108 Ų | 108 | 93 Ų | 93 | 76% | 0.755 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -168.7 | 84.4 | 152.2 | -166.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 899 | N | 29.2 | Very low | 49.7 | Very low | 158 Ų | 158 | 101.3 Ų | 101.3 | 85% | 0.845 | 62% | 0.622 | S | S | * | * | trans | -177.4 | 97.4 | 131.1 | -101.2 | -4.7 | 0 | 0 | 0 | 108.3 | ||||
| 900 | G | 36.6 | Very low | 47.4 | Very low | 62 Ų | 62 | 106.3 Ų | 106.3 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | trans | -62.7 | 153.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 901 | H | 36.6 | Very low | 45.5 | Very low | 193 Ų | 193 | 105 Ų | 105 | 89% | 0.894 | 65% | 0.648 | S | S | * | * | trans | 94.3 | 76.7 | 173.6 | -49 | 92.7 | 0 | 0 | 0 | 116.7 | ||||
| 902 | S | 29.7 | Very low | 44 | Very low | 120 Ų | 120 | 108.9 Ų | 108.9 | 84% | 0.839 | 68% | 0.678 | S | S | * | * | -168.7 | 118.2 | 126.3 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 903 | G | 29.7 | Very low | 43 | Very low | 78 Ų | 78 | 115.5 Ų | 115.5 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | 72.2 | 112.4 | 139.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | G905 | G903-G905 PolarHBondContact O-N 3.46Š| ||
| 904 | G | 36.3 | Very low | 42.7 | Very low | 94 Ų | 94 | 115.8 Ų | 115.8 | 97% | 0.969 | 72% | 0.715 | S | S | * | * | trans | -55.3 | 134 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 905 | G | 28.6 | Very low | 43.1 | Very low | 66 Ų | 66 | 112.2 Ų | 112.2 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | trans | -175.6 | 130.4 | 172 | 0 | 0 | 0 | 0 | 0 | 108.2 | G903 G907 | G903-G905 PolarHBondContact O-N 3.46Å; G905-G907 PolarHBondContact O-N 2.97Å | ||
| 906 | S | 36.1 | Very low | 44.3 | Very low | 130 Ų | 130 | 109.9 Ų | 109.9 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | trans | -35.6 | 107.5 | 178.4 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | N908 | S906-N908 PolarHBondContact O-N 3.46Š| ||
| 907 | G | 30.5 | Very low | 45.9 | Very low | 63 Ų | 63 | 105.2 Ų | 105.2 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | trans | -75.7 | 83.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112 | G905 F909 | G905-G907 PolarHBondContact O-N 2.97Å; G907-F909 PolarHBondContact O-N 2.93Å; G907-F909 VanDerWaalsContact O-N 3.07Å | ||
| 908 | N | 34.5 | Very low | 47.9 | Very low | 137 Ų | 137 | 100.8 Ų | 100.8 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | trans | -57.2 | 107.1 | 159.3 | -137.7 | 11.1 | 0 | 0 | 0 | 107.3 | S906 N910 | S906-N908 PolarHBondContact O-N 3.46Å; N908-N910 PolarHBondContact O-N 3.34Å | ||
| 909 | F | 38.1 | Very low | 50.6 | Low | 181 Ų | 181 | 97 Ų | 97 | 79% | 0.794 | 63% | 0.63 | S | S | * | * | trans | -71.8 | 55.6 | -178.5 | -106 | -87 | 0 | 0 | 0 | 111.5 | G907 C911 | G907-F909 PolarHBondContact O-N 2.93Å; G907-F909 VanDerWaalsContact O-N 3.07Å; F909-C911 PolarHBondContact O-N 3.13Å | ||
| 910 | N | 38 | Very low | 53.4 | Low | 133 Ų | 133 | 89.4 Ų | 89.4 | 71% | 0.711 | 59% | 0.59 | S | S | * | * | trans | -84.3 | 86.6 | 171.2 | -77.3 | -3.9 | 0 | 0 | 0 | 109 | N908 S912 | N908-N910 PolarHBondContact O-N 3.34Å; N910-S912 PolarHBondContact O-N 3Å | ||
| 911 | C | 45 | Very low | 55.9 | Low | 46 Ų | 46 | 88.2 Ų | 88.2 | 31% | 0.311 | 57% | 0.568 | S | S | . | * | trans | -89.6 | 96.3 | 163.1 | -168.4 | 0 | 0 | 0 | 0 | 107.9 | F909 | F909-C911 PolarHBondContact O-N 3.13Š| ||
| 912 | S | 53.8 | Low | 58.3 | Low | 96 Ų | 96 | 80.4 Ų | 80.4 | 67% | 0.671 | 54% | 0.537 | S | S | * | . | trans | -77 | 132.5 | -179.7 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | N910 | N910-S912 PolarHBondContact O-N 3Š| ||
| 913 | D | 63 | Low | 61.2 | Low | 138 Ų | 138 | 74.7 Ų | 74.7 | 74% | 0.738 | 50% | 0.497 | S | S | * | . | trans | 76.7 | 111.9 | 162.9 | -52.2 | -20.9 | 0 | 0 | 0 | 118.6 | ||||
| 914 | N | 76.8 | Confident | 64.1 | Low | 17 Ų | 17 | 71 Ų | 71 | 9% | 0.091 | 46% | 0.458 | C | S | . | . | trans | -65.2 | 129.9 | 163.6 | -173.4 | -42.5 | 0 | 0 | 0 | 109 | F892 Y893 H916 F920 L961 | F892-N914 CarbonylContact O-C 3.4Å; F892-N914 WeakPolarHBondContact O-CA 3.01Å; F892-N914 PolarHBondContact O-OD1 3.42Å; Y893-N914 HydrophobicContact CE1-CB 4.02Å; Y893-N914 PolarHBondContact OH-ND2 3.33Å; N914-H916 VanDerWaalsContact C-N 3.31Å; N914-H916 PolarHBondContact O-N 3.39Å; N914-H916 PolarHBondContact OD1-N 3.47Å; N914-H916 PolarHBondContact OD1-O 3.39Å; N914-F920 WeakPolarHBondContact ND2-CB 3.47Å; N914-F920 WeakPolarHBondContact ND2-CD1 3.5Å; N914-F920 WeakPolarHBondContact ND2-CG 3.48Å; N914-L961 HydrophobicContact CB-CD1 3.29Å; N914-L961 HydrophobicContact CB-CG 4.44Å | ||
| 915 | L | 80.7 | Confident | 66.7 | Low | 80 Ų | 80 | 70.4 Ų | 70.4 | 42% | 0.419 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -68.8 | -29.8 | -176.7 | -63.7 | 167 | 0 | 0 | 0 | 112.7 | F892 K894 | F892-L915 PolarHBondContact O-N 2.99Å; K894-L915 HydrophobicContact CG-CD1 4.12Å |
| 916 | H | 83.9 | Confident | 69.6 | Low | 73 Ų | 73 | 67.3 Ų | 67.3 | 34% | 0.338 | 40% | 0.401 | S | S | . | . | trans | -137.2 | 70 | -176 | -68 | -65.1 | 0 | 0 | 0 | 111.1 | F891 F892 N914 A918 H919 F920 | F891-H916 HydrophobicContact CD1-CB 4.42Å; F891-H916 AromaticContact CD1-CD2 3.97Å; F891-H916 AromaticContact CD2-CD2 3.72Å; F891-H916 HydrophobicContact CE1-CB 3.81Å; F891-H916 AromaticContact CE1-CD2 3.6Å; F891-H916 AromaticContact CE1-CG 3.8Å; F891-H916 AromaticContact CE2-CD2 3.33Å; F891-H916 WeakPolarHBondContact CE2-CD2 3.22Å; F891-H916 AromaticContact CE2-NE2 3.47Å; F891-H916 WeakPolarHBondContact CE2-NE2 3.47Å; F891-H916 HydrophobicContact CZ-CB 4.13Å; F891-H916 AromaticContact CZ-CD2 3.26Å; F891-H916 WeakPolarHBondContact CZ-CD2 3.38Å; F891-H916 AromaticContact CZ-CG 3.62Å; F891-H916 AromaticContact CZ-NE2 3.72Å; F891-H916 PolarHBondContact O-CD2 3.1Å; F892-H916 HydrophobicContact CD1-CB 4.4Å; N914-H916 VanDerWaalsContact C-N 3.31Å; N914-H916 PolarHBondContact O-N 3.39Å; N914-H916 PolarHBondContact OD1-N 3.47Å; N914-H916 PolarHBondContact OD1-O 3.39Å; H916-A918 VanDerWaalsContact C-N 3.34Å; H916-A918 PolarHBondContact O-N 2.93Å; H916-H919 PolarHBondContact O-N 3.29Å; H916-F920 PolarHBondContact O-N 2.79Å; H916-F920 VanDerWaalsContact O-N 3.17Å | ||
| 917 | P | 83.7 | Confident | 72.2 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -35.1 | -172.9 | 25.1 | -33.7 | 0 | 0 | 0 | 112.9 | F920 M921 L961 | P917-F920 PolarHBondContact O-N 2.96Å; P917-M921 WeakPolarHBondContact O-CB 3.32Å; P917-M921 VanDerWaalsContact O-CG 3.26Å; P917-M921 WeakPolarHBondContact O-CG 3.44Å; P917-M921 PolarHBondContact O-N 3.32Å; P917-L961 HydrophobicContact CB-CD1 4.22Å |
| 918 | A | 85.4 | Confident | 74.9 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 65% | 0.645 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.6 | -48.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H916 A922 | H916-A918 VanDerWaalsContact C-N 3.34Å; H916-A918 PolarHBondContact O-N 2.93Å; A918-A922 WeakPolarHBondContact O-CB 3.47Å; A918-A922 PolarHBondContact O-N 3.49Å |
| 919 | H | 86.4 | Confident | 77.3 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 13% | 0.13 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 177.9 | -62.2 | -51.5 | 0 | 0 | 0 | 112.2 | L850 D851 F892 H916 A922 I923 | L850-H919 HydrophobicContact CD1-CB 3.98Å; D851-H919 IonicContact OD1-CE1 3.82Å; D851-H919 PolarHBondContact OD1-CE1 2.89Å; D851-H919 IonicContact OD1-ND1 3.27Å; D851-H919 IonicContact OD2-CE1 3.53Å; F892-H919 HydrophobicContact CE1-CB 4.21Å; H916-H919 PolarHBondContact O-N 3.29Å; H919-A922 PolarHBondContact O-N 2.98Å; H919-I923 WeakPolarHBondContact O-CG1 3.44Å; H919-I923 PolarHBondContact O-N 3.16Å |
| 920 | F | 88.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 177 | -174.9 | -105.5 | 0 | 0 | 0 | 111.7 | L885 W889 F892 Y893 N914 H916 P917 I923 L924 L956 L961 | L885-F920 HydrophobicContact CD2-CD2 4.25Å; L885-F920 HydrophobicContact CD2-CE2 4.1Å; W889-F920 HydrophobicContact CH2-CE2 4.22Å; W889-F920 HydrophobicContact CZ3-CE2 4.19Å; F892-F920 HydrophobicContact CB-CD2 4.4Å; F892-F920 HydrophobicContact CD1-CB 3.72Å; F892-F920 AromaticContact CD1-CD2 3.91Å; F892-F920 HydrophobicContact CD1-CD2 3.91Å; F892-F920 HydrophobicContact CD1-CG 4.25Å; F892-F920 HydrophobicContact CD2-CD2 4.19Å; F892-F920 HydrophobicContact CE1-CB 3.77Å; F892-F920 HydrophobicContact CE1-CD2 4.19Å; F892-F920 HydrophobicContact CE2-CD2 4.46Å; F892-F920 AromaticContact CG-CD2 3.91Å; F892-F920 HydrophobicContact CG-CD2 3.91Å; F892-F920 HydrophobicContact CZ-CD2 4.46Å; Y893-F920 HydrophobicContact CE2-CE2 4.35Å; Y893-F920 HydrophobicContact CE2-CZ 4.49Å; N914-F920 WeakPolarHBondContact ND2-CB 3.47Å; N914-F920 WeakPolarHBondContact ND2-CD1 3.5Å; N914-F920 WeakPolarHBondContact ND2-CG 3.48Å; H916-F920 PolarHBondContact O-N 2.79Å; H916-F920 VanDerWaalsContact O-N 3.17Å; P917-F920 PolarHBondContact O-N 2.96Å; F920-I923 PolarHBondContact O-N 3.49Å; F920-L924 HydrophobicContact CD1-CD1 3.86Å; F920-L924 HydrophobicContact CE1-CD1 3.28Å; F920-L924 HydrophobicContact CE1-CG 4.38Å; F920-L924 HydrophobicContact CE2-CD1 4.2Å; F920-L924 HydrophobicContact CZ-CD1 3.49Å; F920-L924 VanDerWaalsContact CZ-CD1 3.49Å; F920-L924 HydrophobicContact CZ-CG 4.41Å; F920-L924 PolarHBondContact O-N 3.28Å; F920-L924 VanDerWaalsContact O-N 3.15Å; F920-L956 HydrophobicContact CE2-CD1 4.32Å; F920-L956 HydrophobicContact CZ-CD1 3.81Å; F920-L961 HydrophobicContact CD1-CD1 4.36Å; F920-L961 HydrophobicContact CE1-CB 4.46Å |
| 921 | M | 88.6 | Confident | 81.8 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 18% | 0.177 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.8 | -37 | 177.3 | -70.6 | -62 | -71.8 | 0 | 0 | 112.1 | P917 I923 L924 N925 Q965 L966 | P917-M921 WeakPolarHBondContact O-CB 3.32Å; P917-M921 VanDerWaalsContact O-CG 3.26Å; P917-M921 WeakPolarHBondContact O-CG 3.44Å; P917-M921 PolarHBondContact O-N 3.32Å; M921-I923 PolarHBondContact O-N 3.02Å; M921-L924 PolarHBondContact O-N 3.44Å; M921-N925 WeakPolarHBondContact O-CB 3.41Å; M921-N925 PolarHBondContact O-N 3.22Å; M921-N925 PolarHBondContact O-ND2 2.96Å; M921-Q965 HydrophobicContact CE-CB 4.41Å; M921-L966 HydrophobicContact CE-CD1 4.19Å; M921-L966 HydrophobicContact CE-CD2 3.92Å; M921-L966 HydrophobicContact CE-CG 4.1Å; M921-L966 HydrophobicContact SD-CD1 3.87Å; M921-L966 HydrophobicContact SD-CG 4.33Å |
| 922 | A | 88.1 | Confident | 83.8 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 24% | 0.24 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T854 A918 H919 A926 | T854-A922 HydrophobicContact CG2-CB 3.85Å; A918-A922 WeakPolarHBondContact O-CB 3.47Å; A918-A922 PolarHBondContact O-N 3.49Å; H919-A922 PolarHBondContact O-N 2.98Å; A922-A926 PolarHBondContact O-N 3.43Å; A922-A926 VanDerWaalsContact O-N 3.1Å |
| 923 | I | 90.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 177.3 | -65.6 | 170.6 | 0 | 0 | 0 | 110.9 | L850 F881 V884 L885 F892 H919 F920 M921 N925 A926 Y927 | L850-I923 HydrophobicContact CD2-CD1 4.07Å; F881-I923 HydrophobicContact CB-CG2 3.76Å; F881-I923 HydrophobicContact CD1-CD1 4.28Å; F881-I923 HydrophobicContact CD1-CG1 3.84Å; F881-I923 HydrophobicContact CD2-CG2 4.26Å; F881-I923 HydrophobicContact CE1-CG1 4.16Å; F881-I923 HydrophobicContact CG-CG1 4.12Å; F881-I923 HydrophobicContact CG-CG2 3.96Å; V884-I923 HydrophobicContact CG1-CD1 4.31Å; L885-I923 HydrophobicContact CD1-CG2 3.9Å; L885-I923 HydrophobicContact CG-CG2 4.38Å; F892-I923 HydrophobicContact CZ-CD1 3.99Å; H919-I923 WeakPolarHBondContact O-CG1 3.44Å; H919-I923 PolarHBondContact O-N 3.16Å; F920-I923 PolarHBondContact O-N 3.49Å; M921-I923 PolarHBondContact O-N 3.02Å; I923-N925 PolarHBondContact O-N 2.71Å; I923-A926 WeakPolarHBondContact O-CB 3.47Å; I923-A926 PolarHBondContact O-N 3.35Å; I923-Y927 HydrophobicContact CG2-CD1 4.37Å; I923-Y927 HydrophobicContact CG2-CE1 4.08Å; I923-Y927 WeakPolarHBondContact O-CD1 3.3Å; I923-Y927 PolarHBondContact O-N 3.42Å |
| 924 | L | 90.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.2 | -33.6 | -177.4 | -67.3 | -179.1 | 0 | 0 | 0 | 112.7 | F920 M921 A926 Y927 G928 F962 L966 F970 | F920-L924 HydrophobicContact CD1-CD1 3.86Å; F920-L924 HydrophobicContact CE1-CD1 3.28Å; F920-L924 HydrophobicContact CE1-CG 4.38Å; F920-L924 HydrophobicContact CE2-CD1 4.2Å; F920-L924 HydrophobicContact CZ-CD1 3.49Å; F920-L924 VanDerWaalsContact CZ-CD1 3.49Å; F920-L924 HydrophobicContact CZ-CG 4.41Å; F920-L924 PolarHBondContact O-N 3.28Å; F920-L924 VanDerWaalsContact O-N 3.15Å; M921-L924 PolarHBondContact O-N 3.44Å; L924-A926 VanDerWaalsContact C-N 3.33Å; L924-Y927 HydrophobicContact CD2-CD2 4.44Å; L924-Y927 WeakPolarHBondContact O-CB 3.2Å; L924-Y927 PolarHBondContact O-N 3.22Å; L924-G928 PolarHBondContact O-N 2.95Å; L924-F962 HydrophobicContact CD1-CD2 3.82Å; L924-F962 HydrophobicContact CD1-CE2 4.34Å; L924-L966 HydrophobicContact CB-CD1 3.67Å; L924-L966 HydrophobicContact CD1-CD1 3.39Å; L924-L966 HydrophobicContact CG-CD1 4.2Å; L924-F970 VanDerWaalsContact O-CZ 3.32Å; L924-F970 WeakPolarHBondContact O-CZ 3.47Å |
| 925 | N | 90.3 | Very high | 84.7 | Confident | 82 Ų | 82 | 42.3 Ų | 42.3 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 172.3 | -73.8 | -23.5 | 0 | 0 | 0 | 111.3 | M921 I923 G928 Q929 | M921-N925 WeakPolarHBondContact O-CB 3.41Å; M921-N925 PolarHBondContact O-N 3.22Å; M921-N925 PolarHBondContact O-ND2 2.96Å; I923-N925 PolarHBondContact O-N 2.71Å; N925-G928 PolarHBondContact O-N 3.48Å; N925-Q929 VanDerWaalsContact O-CG 3.3Å; N925-Q929 WeakPolarHBondContact O-CG 3.32Å; N925-Q929 PolarHBondContact O-N 3.05Å |
| 926 | A | 88.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | L858 Y878 F881 A922 I923 L924 G928 Q929 M930 | L858-A926 HydrophobicContact CD1-CB 4.12Å; L858-A926 HydrophobicContact CD2-CB 3.8Å; Y878-A926 HydrophobicContact CE1-CB 4.07Å; Y878-A926 PolarHBondContact OH-O 2.88Å; F881-A926 HydrophobicContact CE2-CB 3.97Å; A922-A926 PolarHBondContact O-N 3.43Å; A922-A926 VanDerWaalsContact O-N 3.1Å; I923-A926 WeakPolarHBondContact O-CB 3.47Å; I923-A926 PolarHBondContact O-N 3.35Å; L924-A926 VanDerWaalsContact C-N 3.33Å; A926-G928 PolarHBondContact O-N 3.43Å; A926-Q929 PolarHBondContact O-N 3.31Å; A926-M930 PolarHBondContact O-N 2.9Å |
| 927 | Y | 90.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 175 | -78.1 | 18.9 | 0 | 0 | 0 | 111.5 | Y878 F881 D882 L885 I923 L924 Q929 M930 L931 V943 S946 M947 | Y878-Y927 AromaticContact CD1-CD1 3.71Å; Y878-Y927 HydrophobicContact CD1-CD1 3.71Å; Y878-Y927 AromaticContact CD1-CE1 3.66Å; Y878-Y927 HydrophobicContact CD1-CE1 3.66Å; Y878-Y927 AromaticContact CE1-CD1 3.89Å; Y878-Y927 HydrophobicContact CE1-CD1 3.89Å; Y878-Y927 HydrophobicContact CE1-CE1 4.28Å; F881-Y927 HydrophobicContact CB-CE1 3.78Å; F881-Y927 HydrophobicContact CD2-CE1 4.12Å; F881-Y927 HydrophobicContact CG-CE1 4.46Å; D882-Y927 WeakPolarHBondContact CA-OH 3.46Å; D882-Y927 PolarHBondContact N-OH 2.9Å; D882-Y927 VanDerWaalsContact N-OH 3.14Å; L885-Y927 HydrophobicContact CD1-CE2 4.05Å; I923-Y927 HydrophobicContact CG2-CD1 4.37Å; I923-Y927 HydrophobicContact CG2-CE1 4.08Å; I923-Y927 WeakPolarHBondContact O-CD1 3.3Å; I923-Y927 PolarHBondContact O-N 3.42Å; L924-Y927 HydrophobicContact CD2-CD2 4.44Å; L924-Y927 WeakPolarHBondContact O-CB 3.2Å; L924-Y927 PolarHBondContact O-N 3.22Å; Y927-Q929 PolarHBondContact O-N 3.43Å; Y927-M930 PolarHBondContact O-N 3.02Å; Y927-L931 WeakPolarHBondContact O-CG 3.43Å; Y927-L931 PolarHBondContact O-N 3.36Å; Y927-V943 HydrophobicContact CD1-CG1 4.28Å; Y927-V943 HydrophobicContact CD1-CG2 4.14Å; Y927-V943 HydrophobicContact CD2-CG1 3.75Å; Y927-V943 HydrophobicContact CE1-CG2 4.4Å; Y927-V943 HydrophobicContact CE2-CG1 4.4Å; Y927-V943 HydrophobicContact CG-CG1 3.65Å; Y927-V943 HydrophobicContact CG-CG2 4.35Å; Y927-S946 WeakPolarHBondContact CE2-OG 3.42Å; Y927-S946 PolarHBondContact OH-OG 3.41Å; Y927-M947 HydrophobicContact CD2-CG 3.78Å; Y927-M947 HydrophobicContact CD2-SD 4.29Å; Y927-M947 HydrophobicContact CE2-CG 4.14Å |
| 928 | G | 87.4 | Confident | 84.2 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | L924 N925 A926 M930 L931 V932 | L924-G928 PolarHBondContact O-N 2.95Å; N925-G928 PolarHBondContact O-N 3.48Å; A926-G928 PolarHBondContact O-N 3.43Å; G928-M930 PolarHBondContact O-N 2.69Å; G928-L931 PolarHBondContact O-N 3.4Å; G928-V932 WeakPolarHBondContact O-CG2 3.48Å; G928-V932 PolarHBondContact O-N 3.07Å; G928-V932 VanDerWaalsContact O-N 3.09Å |
| 929 | Q | 85.9 | Confident | 84.2 | Confident | 113 Ų | 113 | 35.2 Ų | 35.2 | 53% | 0.528 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 177.5 | -72 | -67.7 | -17.6 | 0 | 0 | 112.4 | N925 A926 Y927 L931 V932 S933 | N925-Q929 VanDerWaalsContact O-CG 3.3Å; N925-Q929 WeakPolarHBondContact O-CG 3.32Å; N925-Q929 PolarHBondContact O-N 3.05Å; A926-Q929 PolarHBondContact O-N 3.31Å; Y927-Q929 PolarHBondContact O-N 3.43Å; Q929-L931 VanDerWaalsContact C-N 3.34Å; Q929-L931 PolarHBondContact O-N 3.38Å; Q929-V932 PolarHBondContact O-N 3.22Å; Q929-S933 WeakPolarHBondContact O-CB 3.42Å; Q929-S933 PolarHBondContact O-N 2.94Å; Q929-S933 PolarHBondContact O-OG 3.35Å |
| 930 | M | 85.4 | Confident | 84.1 | Confident | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -39 | 175.2 | -70.7 | -57.3 | -62.4 | 0 | 0 | 113.2 | T874 Y878 A926 Y927 G928 V932 S933 G934 N939 V943 | T874-M930 HydrophobicContact CG2-CE 4.38Å; Y878-M930 HydrophobicContact CD2-CG 4.36Å; Y878-M930 HydrophobicContact CE1-CG 3.69Å; Y878-M930 HydrophobicContact CE2-CE 4.14Å; Y878-M930 HydrophobicContact CE2-CG 3.45Å; Y878-M930 VanDerWaalsContact CE2-CG 3.45Å; Y878-M930 HydrophobicContact CE2-SD 3.58Å; Y878-M930 VanDerWaalsContact CE2-SD 3.58Å; Y878-M930 WeakPolarHBondContact OH-CG 3.4Å; Y878-M930 PolarHBondContact OH-SD 3.01Å; Y878-M930 VanDerWaalsContact OH-SD 3.33Å; A926-M930 PolarHBondContact O-N 2.9Å; Y927-M930 PolarHBondContact O-N 3.02Å; G928-M930 PolarHBondContact O-N 2.69Å; M930-V932 VanDerWaalsContact C-N 3.27Å; M930-V932 PolarHBondContact O-N 3.48Å; M930-S933 PolarHBondContact O-N 3.22Å; M930-S933 PolarHBondContact O-OG 2.93Å; M930-G934 PolarHBondContact O-N 3.45Å; M930-N939 HydrophobicContact CE-CB 3.67Å; M930-V943 HydrophobicContact CB-CG2 4.48Å |
| 931 | L | 85.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68 | -29.8 | 177.6 | -65.9 | 174.8 | 0 | 0 | 0 | 112.1 | Y927 G928 Q929 V940 V943 L944 M947 F970 A973 L974 L977 | Y927-L931 WeakPolarHBondContact O-CG 3.43Å; Y927-L931 PolarHBondContact O-N 3.36Å; G928-L931 PolarHBondContact O-N 3.4Å; Q929-L931 VanDerWaalsContact C-N 3.34Å; Q929-L931 PolarHBondContact O-N 3.38Å; L931-V940 HydrophobicContact CD2-CG1 4.12Å; L931-V943 HydrophobicContact CD1-CG1 4.43Å; L931-V943 HydrophobicContact CD2-CG1 4.33Å; L931-V943 HydrophobicContact CG-CG1 4.25Å; L931-L944 HydrophobicContact CD2-CD2 3.87Å; L931-L944 HydrophobicContact CD2-CG 4.02Å; L931-M947 HydrophobicContact CD1-SD 4.29Å; L931-F970 HydrophobicContact CD1-CD1 3.79Å; L931-F970 HydrophobicContact CD1-CE1 3.74Å; L931-A973 HydrophobicContact CB-CB 4.44Å; L931-L974 HydrophobicContact CD1-CD2 3.98Å; L931-L974 HydrophobicContact CD2-CD2 4.21Å; L931-L977 HydrophobicContact CD2-CD2 4.36Å |
| 932 | V | 85.3 | Confident | 84 | Confident | 100 Ų | 100 | 41.4 Ų | 41.4 | 61% | 0.606 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -79.8 | -39.4 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | G928 Q929 M930 A973 | G928-V932 WeakPolarHBondContact O-CG2 3.48Å; G928-V932 PolarHBondContact O-N 3.07Å; G928-V932 VanDerWaalsContact O-N 3.09Å; Q929-V932 PolarHBondContact O-N 3.22Å; M930-V932 VanDerWaalsContact C-N 3.27Å; M930-V932 PolarHBondContact O-N 3.48Å; V932-A973 HydrophobicContact CG2-CB 3.79Å |
| 933 | S | 77.7 | Confident | 84.1 | Confident | 56 Ų | 56 | 40.1 Ų | 40.1 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -74.1 | -31.8 | -176.3 | 67.5 | 0 | 0 | 0 | 0 | 113.1 | Q929 M930 T935 | Q929-S933 WeakPolarHBondContact O-CB 3.42Å; Q929-S933 PolarHBondContact O-N 2.94Å; Q929-S933 PolarHBondContact O-OG 3.35Å; M930-S933 PolarHBondContact O-N 3.22Å; M930-S933 PolarHBondContact O-OG 2.93Å; S933-T935 WeakPolarHBondContact O-CG2 3.39Å; S933-T935 PolarHBondContact O-N 3.47Å |
| 934 | G | 68.8 | Low | 84 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | trans | 67 | -13.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | M930 D936 E982 | M930-G934 PolarHBondContact O-N 3.45Å; G934-D936 VanDerWaalsContact C-N 3.25Å; G934-D936 PolarHBondContact O-N 2.92Å; G934-E982 WeakPolarHBondContact CA-OE2 3.3Å; G934-E982 VanDerWaalsContact O-OE2 3.06Å | ||
| 935 | T | 67.7 | Low | 83.9 | Confident | 108 Ų | 108 | 45.4 Ų | 45.4 | 66% | 0.663 | 25% | 0.25 | S | C | * | . | trans | -56.7 | -21.9 | -165.4 | 55.7 | 0 | 0 | 0 | 0 | 117.2 | S933 | S933-T935 WeakPolarHBondContact O-CG2 3.39Å; S933-T935 PolarHBondContact O-N 3.47Å | ||
| 936 | D | 74.3 | Confident | 83.9 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 17% | 0.171 | 23% | 0.229 | C | C | . | . | trans | -136 | 106.5 | 179 | -174.2 | -13.8 | 0 | 0 | 0 | 111.4 | S871 G934 S938 N939 V940 | S871-D936 PolarHBondContact OG-OD2 3.14Å; G934-D936 VanDerWaalsContact C-N 3.25Å; G934-D936 PolarHBondContact O-N 2.92Å; D936-S938 VanDerWaalsContact C-N 3.25Å; D936-S938 VanDerWaalsContact CG-OG 3.31Å; D936-S938 PolarHBondContact O-N 3.28Å; D936-S938 WeakPolarHBondContact OD1-CB 3.36Å; D936-S938 PolarHBondContact OD1-N 3.39Å; D936-S938 PolarHBondContact OD1-OG 3.35Å; D936-S938 PolarHBondContact OD2-OG 2.88Å; D936-N939 HydrophobicContact CB-CB 4.29Å; D936-N939 PolarHBondContact O-N 3.36Å; D936-N939 PolarHBondContact OD2-ND2 3.33Å; D936-V940 WeakPolarHBondContact O-CG2 3.3Å; D936-V940 PolarHBondContact O-N 2.83Å; D936-V940 VanDerWaalsContact O-N 3.11Å | ||
| 937 | P | 80.4 | Confident | 84 | Confident | 50 Ų | 50 | 41.6 Ų | 41.6 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56.3 | -34.9 | 179.6 | -26.7 | 34.9 | 0 | 0 | 0 | 113.9 | N939 V940 R941 L985 H986 | P937-N939 PolarHBondContact O-N 3.39Å; P937-V940 PolarHBondContact O-N 3.48Å; P937-R941 WeakPolarHBondContact O-CB 3.32Å; P937-R941 PolarHBondContact O-N 3.27Å; P937-L985 HydrophobicContact CB-CD1 4.12Å; P937-L985 HydrophobicContact CG-CD1 4.05Å; P937-H986 WeakPolarHBondContact CA-NE2 3.3Å; P937-H986 WeakPolarHBondContact CB-NE2 3.45Å; P937-H986 PolarHBondContact O-CE1 2.9Å; P937-H986 VanDerWaalsContact O-CE1 3.27Å; P937-H986 PolarHBondContact O-NE2 2.96Å |
| 938 | S | 83.1 | Confident | 83.9 | Confident | 63 Ų | 63 | 43.5 Ų | 43.5 | 44% | 0.441 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.5 | -41.4 | -177.4 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | D936 R941 S942 | D936-S938 VanDerWaalsContact C-N 3.25Å; D936-S938 VanDerWaalsContact CG-OG 3.31Å; D936-S938 PolarHBondContact O-N 3.28Å; D936-S938 WeakPolarHBondContact OD1-CB 3.36Å; D936-S938 PolarHBondContact OD1-N 3.39Å; D936-S938 PolarHBondContact OD1-OG 3.35Å; D936-S938 PolarHBondContact OD2-OG 2.88Å; S938-R941 WeakPolarHBondContact O-CB 3.35Å; S938-R941 PolarHBondContact O-N 3Å; S938-S942 PolarHBondContact O-N 3.35Å |
| 939 | N | 83.9 | Confident | 83.9 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.011 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.6 | -37.5 | 179.3 | -76.1 | -45.4 | 0 | 0 | 0 | 111.9 | S875 M930 D936 P937 R941 S942 V943 | S875-N939 WeakPolarHBondContact CA-OD1 3.29Å; S875-N939 VanDerWaalsContact CB-OD1 3.22Å; S875-N939 WeakPolarHBondContact CB-OD1 3.3Å; S875-N939 PolarHBondContact N-OD1 3.39Å; M930-N939 HydrophobicContact CE-CB 3.67Å; D936-N939 HydrophobicContact CB-CB 4.29Å; D936-N939 PolarHBondContact O-N 3.36Å; D936-N939 PolarHBondContact OD2-ND2 3.33Å; P937-N939 PolarHBondContact O-N 3.39Å; N939-R941 VanDerWaalsContact C-N 3.32Å; N939-R941 PolarHBondContact O-N 3.44Å; N939-S942 PolarHBondContact O-N 3.5Å; N939-V943 WeakPolarHBondContact O-CG2 3.49Å; N939-V943 PolarHBondContact O-N 3.13Å |
| 940 | V | 85.7 | Confident | 84 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.3 | -47.1 | 171 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | L931 D936 P937 S942 V943 L944 L977 | L931-V940 HydrophobicContact CD2-CG1 4.12Å; D936-V940 WeakPolarHBondContact O-CG2 3.3Å; D936-V940 PolarHBondContact O-N 2.83Å; D936-V940 VanDerWaalsContact O-N 3.11Å; P937-V940 PolarHBondContact O-N 3.48Å; V940-S942 PolarHBondContact O-N 3.38Å; V940-V943 PolarHBondContact O-N 2.95Å; V940-L944 HydrophobicContact CG1-CD1 3.96Å; V940-L944 HydrophobicContact CG1-CG 4.49Å; V940-L944 WeakPolarHBondContact O-CG 3.38Å; V940-L944 PolarHBondContact O-N 3.26Å; V940-L977 HydrophobicContact CG1-CD2 3.91Å |
| 941 | R | 87.6 | Confident | 84.1 | Confident | 154 Ų | 154 | 39.4 Ų | 39.4 | 58% | 0.581 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -57.9 | -46.2 | 175 | -174.4 | 179.7 | 179.1 | 139 | 1 | 112.2 | P937 S938 N939 L944 F945 M989 | P937-R941 WeakPolarHBondContact O-CB 3.32Å; P937-R941 PolarHBondContact O-N 3.27Å; S938-R941 WeakPolarHBondContact O-CB 3.35Å; S938-R941 PolarHBondContact O-N 3Å; N939-R941 VanDerWaalsContact C-N 3.32Å; N939-R941 PolarHBondContact O-N 3.44Å; R941-L944 PolarHBondContact O-N 2.98Å; R941-F945 WeakPolarHBondContact O-CB 3.48Å; R941-F945 PolarHBondContact O-N 3Å; R941-M989 HydrophobicContact CG-CE 4.16Å; R941-M989 HydrophobicContact CG-SD 3.73Å; R941-M989 WeakPolarHBondContact O-CE 3.44Å |
| 942 | S | 86.6 | Confident | 84.2 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | S938 N939 V940 F945 S946 | S938-S942 PolarHBondContact O-N 3.35Å; N939-S942 PolarHBondContact O-N 3.5Å; V940-S942 PolarHBondContact O-N 3.38Å; S942-F945 PolarHBondContact O-N 3.37Å; S942-S946 WeakPolarHBondContact O-CB 3.08Å; S942-S946 PolarHBondContact O-N 2.94Å |
| 943 | V | 89.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 177.8 | 169 | 0 | 0 | 0 | 0 | 111.4 | Y878 Y927 M930 L931 N939 V940 F945 S946 M947 | Y878-V943 HydrophobicContact CD1-CG2 3.73Å; Y878-V943 HydrophobicContact CE1-CG2 4.26Å; Y878-V943 HydrophobicContact CG-CG2 4.1Å; Y927-V943 HydrophobicContact CD1-CG1 4.28Å; Y927-V943 HydrophobicContact CD1-CG2 4.14Å; Y927-V943 HydrophobicContact CD2-CG1 3.75Å; Y927-V943 HydrophobicContact CE1-CG2 4.4Å; Y927-V943 HydrophobicContact CE2-CG1 4.4Å; Y927-V943 HydrophobicContact CG-CG1 3.65Å; Y927-V943 HydrophobicContact CG-CG2 4.35Å; M930-V943 HydrophobicContact CB-CG2 4.48Å; L931-V943 HydrophobicContact CD1-CG1 4.43Å; L931-V943 HydrophobicContact CD2-CG1 4.33Å; L931-V943 HydrophobicContact CG-CG1 4.25Å; N939-V943 WeakPolarHBondContact O-CG2 3.49Å; N939-V943 PolarHBondContact O-N 3.13Å; V940-V943 PolarHBondContact O-N 2.95Å; V943-F945 VanDerWaalsContact C-N 3.32Å; V943-F945 PolarHBondContact O-N 3.35Å; V943-S946 PolarHBondContact O-N 3.23Å; V943-M947 HydrophobicContact CG1-SD 4.24Å; V943-M947 WeakPolarHBondContact O-CG 3.47Å; V943-M947 PolarHBondContact O-N 3.01Å |
| 944 | L | 88.8 | Confident | 84.4 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.5 | -70.4 | 172.2 | 0 | 0 | 0 | 111.7 | L931 V940 R941 M947 Q948 L974 H986 M989 I990 | L931-L944 HydrophobicContact CD2-CD2 3.87Å; L931-L944 HydrophobicContact CD2-CG 4.02Å; V940-L944 HydrophobicContact CG1-CD1 3.96Å; V940-L944 HydrophobicContact CG1-CG 4.49Å; V940-L944 WeakPolarHBondContact O-CG 3.38Å; V940-L944 PolarHBondContact O-N 3.26Å; R941-L944 PolarHBondContact O-N 2.98Å; L944-M947 PolarHBondContact O-N 3.35Å; L944-Q948 WeakPolarHBondContact O-CB 3.22Å; L944-Q948 PolarHBondContact O-N 3.16Å; L944-L974 HydrophobicContact CD2-CD2 3.62Å; L944-H986 HydrophobicContact CD1-CB 4.06Å; L944-M989 HydrophobicContact CB-CB 4.28Å; L944-M989 HydrophobicContact CB-CE 3.76Å; L944-M989 HydrophobicContact CD1-CB 4.08Å; L944-I990 HydrophobicContact CD1-CG1 3.68Å; L944-I990 HydrophobicContact CD2-CG1 4.41Å |
| 945 | F | 89.4 | Confident | 85.2 | Confident | 109 Ų | 109 | 53.9 Ų | 53.9 | 48% | 0.478 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 177.5 | -173 | -110.8 | 0 | 0 | 0 | 112.3 | R941 S942 V943 Q948 N949 M989 | R941-F945 WeakPolarHBondContact O-CB 3.48Å; R941-F945 PolarHBondContact O-N 3Å; S942-F945 PolarHBondContact O-N 3.37Å; V943-F945 VanDerWaalsContact C-N 3.32Å; V943-F945 PolarHBondContact O-N 3.35Å; F945-Q948 PolarHBondContact O-N 3.29Å; F945-N949 VanDerWaalsContact CD1-ND2 3.28Å; F945-N949 WeakPolarHBondContact CD1-ND2 3.43Å; F945-N949 WeakPolarHBondContact CE1-ND2 3.5Å; F945-N949 VanDerWaalsContact CZ-ND2 3.33Å; F945-N949 WeakPolarHBondContact CZ-ND2 3.42Å; F945-N949 WeakPolarHBondContact O-CB 3.35Å; F945-N949 PolarHBondContact O-N 3.41Å; F945-N949 PolarHBondContact O-ND2 3.4Å; F945-M989 HydrophobicContact CB-CE 3.69Å; F945-M989 HydrophobicContact CD2-CE 4.4Å |
| 946 | S | 89.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.3 | -50.4 | 174.6 | 167.2 | 0 | 0 | 0 | 0 | 111.2 | D882 Y927 S942 V943 Q948 N949 V950 | D882-S946 WeakPolarHBondContact OD1-CA 3.45Å; D882-S946 VanDerWaalsContact OD1-CB 3.22Å; D882-S946 WeakPolarHBondContact OD1-CB 3.5Å; D882-S946 PolarHBondContact OD1-OG 3.38Å; Y927-S946 WeakPolarHBondContact CE2-OG 3.42Å; Y927-S946 PolarHBondContact OH-OG 3.41Å; S942-S946 WeakPolarHBondContact O-CB 3.08Å; S942-S946 PolarHBondContact O-N 2.94Å; V943-S946 PolarHBondContact O-N 3.23Å; S946-Q948 VanDerWaalsContact C-N 3.31Å; S946-Q948 PolarHBondContact O-N 3.34Å; S946-N949 PolarHBondContact O-N 2.71Å; S946-V950 WeakPolarHBondContact O-CB 3.43Å; S946-V950 WeakPolarHBondContact O-CG2 3.48Å; S946-V950 PolarHBondContact O-N 2.97Å |
| 947 | M | 89.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 178.6 | -72.3 | -178.1 | 63.9 | 0 | 0 | 112.5 | Y927 L931 V943 L944 N951 Y957 F962 F970 M997 | Y927-M947 HydrophobicContact CD2-CG 3.78Å; Y927-M947 HydrophobicContact CD2-SD 4.29Å; Y927-M947 HydrophobicContact CE2-CG 4.14Å; L931-M947 HydrophobicContact CD1-SD 4.29Å; V943-M947 HydrophobicContact CG1-SD 4.24Å; V943-M947 WeakPolarHBondContact O-CG 3.47Å; V943-M947 PolarHBondContact O-N 3.01Å; L944-M947 PolarHBondContact O-N 3.35Å; M947-N951 VanDerWaalsContact O-CB 3.26Å; M947-N951 WeakPolarHBondContact O-CB 3.31Å; M947-N951 PolarHBondContact O-N 3.01Å; M947-Y957 HydrophobicContact CE-CE1 3.82Å; M947-F962 HydrophobicContact CE-CE2 4.43Å; M947-F962 HydrophobicContact CE-CZ 4.21Å; M947-F970 HydrophobicContact CE-CD1 3.57Å; M947-F970 HydrophobicContact CE-CE1 3.61Å; M947-F970 HydrophobicContact CE-CG 4.47Å; M947-F970 HydrophobicContact SD-CD1 4.01Å; M947-F970 HydrophobicContact SD-CE1 3.58Å; M947-F970 VanDerWaalsContact SD-CE1 3.58Å; M947-M997 HydrophobicContact CE-CE 3.5Å |
| 948 | Q | 89.1 | Confident | 86.8 | Confident | 42 Ų | 42 | 50 Ų | 50 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -52.9 | 175.3 | 176.6 | 172 | 3.7 | 0 | 0 | 111.5 | L944 F945 S946 V950 N951 E952 | L944-Q948 WeakPolarHBondContact O-CB 3.22Å; L944-Q948 PolarHBondContact O-N 3.16Å; F945-Q948 PolarHBondContact O-N 3.29Å; S946-Q948 VanDerWaalsContact C-N 3.31Å; S946-Q948 PolarHBondContact O-N 3.34Å; Q948-V950 VanDerWaalsContact C-N 3.35Å; Q948-V950 PolarHBondContact O-N 3.37Å; Q948-N951 PolarHBondContact O-N 3.03Å; Q948-N951 VanDerWaalsContact O-N 3.12Å; Q948-E952 WeakPolarHBondContact CG-OE1 3.32Å; Q948-E952 PolarHBondContact NE2-OE1 3.24Å; Q948-E952 VanDerWaalsContact NE2-OE1 3.14Å; Q948-E952 WeakPolarHBondContact O-CG 3.33Å; Q948-E952 PolarHBondContact O-N 2.93Å |
| 949 | N | 88.5 | Confident | 86.9 | Confident | 28 Ų | 28 | 49.6 Ų | 49.6 | 15% | 0.15 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | -179.7 | -74.9 | -23.4 | 0 | 0 | 0 | 112.5 | F945 S946 N951 E952 R953 | F945-N949 VanDerWaalsContact CD1-ND2 3.28Å; F945-N949 WeakPolarHBondContact CD1-ND2 3.43Å; F945-N949 WeakPolarHBondContact CE1-ND2 3.5Å; F945-N949 VanDerWaalsContact CZ-ND2 3.33Å; F945-N949 WeakPolarHBondContact CZ-ND2 3.42Å; F945-N949 WeakPolarHBondContact O-CB 3.35Å; F945-N949 PolarHBondContact O-N 3.41Å; F945-N949 PolarHBondContact O-ND2 3.4Å; S946-N949 PolarHBondContact O-N 2.71Å; N949-N951 VanDerWaalsContact C-N 3.31Å; N949-N951 PolarHBondContact O-N 3.21Å; N949-E952 PolarHBondContact O-N 3.32Å; N949-R953 WeakPolarHBondContact O-CG 3.35Å; N949-R953 PolarHBondContact O-N 3.38Å; N949-R953 VanDerWaalsContact O-N 3.09Å |
| 950 | V | 87.3 | Confident | 86.7 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | L885 T886 W889 S946 Q948 S954 L956 | L885-V950 HydrophobicContact CB-CG1 4.43Å; L885-V950 HydrophobicContact CB-CG2 3.68Å; L885-V950 HydrophobicContact CD1-CG2 4.42Å; T886-V950 HydrophobicContact CG2-CG2 3.77Å; W889-V950 HydrophobicContact CE3-CG1 4.14Å; W889-V950 HydrophobicContact CH2-CG1 4.2Å; W889-V950 HydrophobicContact CZ3-CG1 3.58Å; S946-V950 WeakPolarHBondContact O-CB 3.43Å; S946-V950 WeakPolarHBondContact O-CG2 3.48Å; S946-V950 PolarHBondContact O-N 2.97Å; Q948-V950 VanDerWaalsContact C-N 3.35Å; Q948-V950 PolarHBondContact O-N 3.37Å; V950-S954 WeakPolarHBondContact CG1-OG 3.3Å; V950-S954 WeakPolarHBondContact O-CA 3.32Å; V950-S954 WeakPolarHBondContact O-CB 3.33Å; V950-S954 PolarHBondContact O-N 2.85Å; V950-S954 PolarHBondContact O-OG 3.01Å; V950-L956 HydrophobicContact CB-CD2 4.41Å; V950-L956 HydrophobicContact CG1-CB 4.12Å; V950-L956 HydrophobicContact CG1-CD1 4.24Å; V950-L956 HydrophobicContact CG1-CD2 4.16Å; V950-L956 HydrophobicContact CG1-CG 4.41Å |
| 951 | N | 87.9 | Confident | 86.6 | Confident | 29 Ų | 29 | 53.8 Ų | 53.8 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -45.3 | 175.9 | -173 | 56.1 | 0 | 0 | 0 | 112.9 | M947 Q948 N949 R953 R955 L956 Y957 | M947-N951 VanDerWaalsContact O-CB 3.26Å; M947-N951 WeakPolarHBondContact O-CB 3.31Å; M947-N951 PolarHBondContact O-N 3.01Å; Q948-N951 PolarHBondContact O-N 3.03Å; Q948-N951 VanDerWaalsContact O-N 3.12Å; N949-N951 VanDerWaalsContact C-N 3.31Å; N949-N951 PolarHBondContact O-N 3.21Å; N951-R953 VanDerWaalsContact C-N 3.33Å; N951-R953 PolarHBondContact O-N 2.74Å; N951-R955 WeakPolarHBondContact O-CA 2.79Å; N951-R955 PolarHBondContact O-N 3.27Å; N951-L956 HydrophobicContact CB-CB 4.09Å; N951-L956 PolarHBondContact OD1-N 2.91Å; N951-Y957 HydrophobicContact CB-CD2 4.11Å; N951-Y957 HydrophobicContact CB-CE2 3.85Å; N951-Y957 VanDerWaalsContact CG-CE2 3.49Å; N951-Y957 WeakPolarHBondContact ND2-CD2 3.38Å; N951-Y957 WeakPolarHBondContact ND2-CE2 3.47Å; N951-Y957 VanDerWaalsContact OD1-CD2 3.32Å; N951-Y957 WeakPolarHBondContact OD1-CD2 3.43Å; N951-Y957 PolarHBondContact OD1-N 3.24Å |
| 952 | E | 86.6 | Confident | 86.5 | Confident | 129 Ų | 129 | 46.5 Ų | 46.5 | 60% | 0.603 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.4 | -41.8 | 178.1 | -73 | 176.2 | -171.7 | 0 | 0 | 112 | Q948 N949 | Q948-E952 WeakPolarHBondContact CG-OE1 3.32Å; Q948-E952 PolarHBondContact NE2-OE1 3.24Å; Q948-E952 VanDerWaalsContact NE2-OE1 3.14Å; Q948-E952 WeakPolarHBondContact O-CG 3.33Å; Q948-E952 PolarHBondContact O-N 2.93Å; N949-E952 PolarHBondContact O-N 3.32Å |
| 953 | R | 84.8 | Confident | 86.4 | Confident | 186 Ų | 186 | 49 Ų | 49 | 70% | 0.702 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -79.7 | -40.2 | -178.3 | -67.4 | -179.2 | -177.9 | -174.9 | 3.6 | 113.9 | N949 N951 | N949-R953 WeakPolarHBondContact O-CG 3.35Å; N949-R953 PolarHBondContact O-N 3.38Å; N949-R953 VanDerWaalsContact O-N 3.09Å; N951-R953 VanDerWaalsContact C-N 3.33Å; N951-R953 PolarHBondContact O-N 2.74Å |
| 954 | S | 82.4 | Confident | 86.1 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -124.4 | 0.1 | -165.1 | 76.1 | 0 | 0 | 0 | 0 | 115 | W889 V950 R959 | W889-S954 WeakPolarHBondContact CH2-OG 3.44Å; W889-S954 WeakPolarHBondContact CZ2-OG 3.34Å; V950-S954 WeakPolarHBondContact CG1-OG 3.3Å; V950-S954 WeakPolarHBondContact O-CA 3.32Å; V950-S954 WeakPolarHBondContact O-CB 3.33Å; V950-S954 PolarHBondContact O-N 2.85Å; V950-S954 PolarHBondContact O-OG 3.01Å; S954-R959 PolarHBondContact O-NE 3.1Å; S954-R959 PolarHBondContact O-NH2 2.85Å |
| 955 | R | 86 | Confident | 85.9 | Confident | 136 Ų | 136 | 61.3 Ų | 61.3 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | trans | 53.5 | 50.6 | -175.5 | -54.2 | -169.8 | -176.6 | -178.4 | -2.9 | 112.4 | N951 Y957 Q958 | N951-R955 WeakPolarHBondContact O-CA 2.79Å; N951-R955 PolarHBondContact O-N 3.27Å; R955-Y957 VanDerWaalsContact C-N 3.25Å; R955-Y957 PolarHBondContact O-N 3.44Å; R955-Q958 HydrophobicContact CB-CB 4.25Å; R955-Q958 HydrophobicContact CB-CG 4.32Å; R955-Q958 PolarHBondContact O-N 2.75Å | ||
| 956 | L | 85.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -42.2 | -50.7 | -179.4 | -179.3 | 61.5 | 0 | 0 | 0 | 112.7 | W889 F920 V950 N951 Q958 R959 F962 | W889-L956 HydrophobicContact CH2-CD1 3.95Å; W889-L956 HydrophobicContact CZ3-CD1 4.38Å; F920-L956 HydrophobicContact CE2-CD1 4.32Å; F920-L956 HydrophobicContact CZ-CD1 3.81Å; V950-L956 HydrophobicContact CB-CD2 4.41Å; V950-L956 HydrophobicContact CG1-CB 4.12Å; V950-L956 HydrophobicContact CG1-CD1 4.24Å; V950-L956 HydrophobicContact CG1-CD2 4.16Å; V950-L956 HydrophobicContact CG1-CG 4.41Å; N951-L956 HydrophobicContact CB-CB 4.09Å; N951-L956 PolarHBondContact OD1-N 2.91Å; L956-Q958 PolarHBondContact O-N 3.05Å; L956-R959 WeakPolarHBondContact O-CB 3.41Å; L956-R959 WeakPolarHBondContact O-CG 3.4Å; L956-R959 PolarHBondContact O-N 3.02Å; L956-R959 VanDerWaalsContact O-N 3.13Å; L956-F962 HydrophobicContact CD1-CD2 4.31Å; L956-F962 HydrophobicContact CD2-CE2 4.43Å; L956-F962 HydrophobicContact CG-CD2 4.15Å; L956-F962 HydrophobicContact CG-CE2 4.49Å |
| 957 | Y | 85.6 | Confident | 85.6 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -68 | -20.5 | -173.7 | -54.5 | -32.3 | 0 | 0 | 0 | 113.3 | M947 N951 R955 F962 A996 M997 V1000 | M947-Y957 HydrophobicContact CE-CE1 3.82Å; N951-Y957 HydrophobicContact CB-CD2 4.11Å; N951-Y957 HydrophobicContact CB-CE2 3.85Å; N951-Y957 VanDerWaalsContact CG-CE2 3.49Å; N951-Y957 WeakPolarHBondContact ND2-CD2 3.38Å; N951-Y957 WeakPolarHBondContact ND2-CE2 3.47Å; N951-Y957 VanDerWaalsContact OD1-CD2 3.32Å; N951-Y957 WeakPolarHBondContact OD1-CD2 3.43Å; N951-Y957 PolarHBondContact OD1-N 3.24Å; R955-Y957 VanDerWaalsContact C-N 3.25Å; R955-Y957 PolarHBondContact O-N 3.44Å; Y957-F962 AromaticContact CD1-CD1 3.93Å; Y957-F962 HydrophobicContact CD1-CD1 3.93Å; Y957-F962 AromaticContact CD1-CE1 3.44Å; Y957-F962 HydrophobicContact CD1-CE1 3.44Å; Y957-F962 VanDerWaalsContact CD1-CE1 3.44Å; Y957-F962 HydrophobicContact CD1-CE2 4.34Å; Y957-F962 AromaticContact CD1-CZ 3.68Å; Y957-F962 HydrophobicContact CD1-CZ 3.68Å; Y957-F962 HydrophobicContact CE1-CE1 4.06Å; Y957-F962 HydrophobicContact CE1-CE2 4.46Å; Y957-F962 AromaticContact CE1-CZ 3.85Å; Y957-F962 HydrophobicContact CE1-CZ 3.85Å; Y957-F962 HydrophobicContact CG-CE1 4.33Å; Y957-A996 HydrophobicContact CD2-CB 3.93Å; Y957-A996 HydrophobicContact CE2-CB 3.67Å; Y957-M997 HydrophobicContact CD1-CE 4.33Å; Y957-M997 HydrophobicContact CD1-CG 4.13Å; Y957-M997 HydrophobicContact CD2-CG 3.86Å; Y957-M997 HydrophobicContact CE1-CE 3.61Å; Y957-M997 HydrophobicContact CE1-CG 4.14Å; Y957-M997 HydrophobicContact CE2-CE 4.46Å; Y957-M997 HydrophobicContact CE2-CG 3.87Å; Y957-M997 HydrophobicContact CG-CG 4.01Å; Y957-V1000 WeakPolarHBondContact O-CG1 3.29Å |
| 958 | Q | 84.6 | Confident | 85.5 | Confident | 105 Ų | 105 | 58 Ų | 58 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -85.5 | -8.6 | 178 | -63.5 | 179 | 5.3 | 0 | 0 | 113.1 | R955 L956 V1000 | R955-Q958 HydrophobicContact CB-CB 4.25Å; R955-Q958 HydrophobicContact CB-CG 4.32Å; R955-Q958 PolarHBondContact O-N 2.75Å; L956-Q958 PolarHBondContact O-N 3.05Å; Q958-V1000 HydrophobicContact CG-CG1 4.48Å; Q958-V1000 HydrophobicContact CG-CG2 3.83Å |
| 959 | R | 84.2 | Confident | 85.4 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 21% | 0.211 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -74.4 | 135 | -178.5 | -59 | -63.3 | 175.7 | 173.9 | -2.3 | 110.5 | W889 S954 L956 L961 F962 K963 | W889-R959 HydrophobicContact CZ2-CG 4.42Å; S954-R959 PolarHBondContact O-NE 3.1Å; S954-R959 PolarHBondContact O-NH2 2.85Å; L956-R959 WeakPolarHBondContact O-CB 3.41Å; L956-R959 WeakPolarHBondContact O-CG 3.4Å; L956-R959 PolarHBondContact O-N 3.02Å; L956-R959 VanDerWaalsContact O-N 3.13Å; R959-L961 VanDerWaalsContact C-N 3.33Å; R959-L961 PolarHBondContact O-N 2.94Å; R959-F962 PolarHBondContact O-N 3.26Å; R959-K963 WeakPolarHBondContact O-CB 3.32Å; R959-K963 PolarHBondContact O-N 3.02Å |
| 960 | A | 80.6 | Confident | 85.4 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -50.6 | -47.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F962 K963 E964 | A960-F962 PolarHBondContact O-N 3.19Å; A960-K963 PolarHBondContact O-N 3.45Å; A960-E964 VanDerWaalsContact O-CB 3.31Å; A960-E964 WeakPolarHBondContact O-CB 3.34Å; A960-E964 WeakPolarHBondContact O-CG 3.47Å; A960-E964 PolarHBondContact O-N 3.18Å |
| 961 | L | 83.2 | Confident | 85.4 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 19% | 0.194 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 178 | -72.7 | -178.4 | 0 | 0 | 0 | 113.6 | N914 P917 F920 R959 Q965 | N914-L961 HydrophobicContact CB-CD1 3.29Å; N914-L961 HydrophobicContact CB-CG 4.44Å; P917-L961 HydrophobicContact CB-CD1 4.22Å; F920-L961 HydrophobicContact CD1-CD1 4.36Å; F920-L961 HydrophobicContact CE1-CB 4.46Å; R959-L961 VanDerWaalsContact C-N 3.33Å; R959-L961 PolarHBondContact O-N 2.94Å; L961-Q965 WeakPolarHBondContact O-CB 3.44Å; L961-Q965 PolarHBondContact O-N 3.31Å |
| 962 | F | 85.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.2 | -47.5 | 178.3 | -170 | -81.2 | 0 | 0 | 0 | 110.6 | L924 M947 L956 Y957 R959 A960 E964 L966 L967 F970 M997 | L924-F962 HydrophobicContact CD1-CD2 3.82Å; L924-F962 HydrophobicContact CD1-CE2 4.34Å; M947-F962 HydrophobicContact CE-CE2 4.43Å; M947-F962 HydrophobicContact CE-CZ 4.21Å; L956-F962 HydrophobicContact CD1-CD2 4.31Å; L956-F962 HydrophobicContact CD2-CE2 4.43Å; L956-F962 HydrophobicContact CG-CD2 4.15Å; L956-F962 HydrophobicContact CG-CE2 4.49Å; Y957-F962 AromaticContact CD1-CD1 3.93Å; Y957-F962 HydrophobicContact CD1-CD1 3.93Å; Y957-F962 AromaticContact CD1-CE1 3.44Å; Y957-F962 HydrophobicContact CD1-CE1 3.44Å; Y957-F962 VanDerWaalsContact CD1-CE1 3.44Å; Y957-F962 HydrophobicContact CD1-CE2 4.34Å; Y957-F962 AromaticContact CD1-CZ 3.68Å; Y957-F962 HydrophobicContact CD1-CZ 3.68Å; Y957-F962 HydrophobicContact CE1-CE1 4.06Å; Y957-F962 HydrophobicContact CE1-CE2 4.46Å; Y957-F962 AromaticContact CE1-CZ 3.85Å; Y957-F962 HydrophobicContact CE1-CZ 3.85Å; Y957-F962 HydrophobicContact CG-CE1 4.33Å; R959-F962 PolarHBondContact O-N 3.26Å; A960-F962 PolarHBondContact O-N 3.19Å; F962-E964 PolarHBondContact O-N 3.32Å; F962-L966 HydrophobicContact CD2-CB 4.21Å; F962-L966 HydrophobicContact CD2-CD1 4.18Å; F962-L966 HydrophobicContact CE2-CB 4.28Å; F962-L966 HydrophobicContact CG-CB 4.44Å; F962-L966 CarbonylContact O-C 3.27Å; F962-L966 PolarHBondContact O-N 3.26Å; F962-L967 HydrophobicContact CD1-CD1 4.38Å; F962-L967 HydrophobicContact CE1-CB 4.44Å; F962-L967 HydrophobicContact CE1-CD1 3.95Å; F962-L967 PolarHBondContact O-N 2.88Å; F962-F970 HydrophobicContact CE2-CD2 4.43Å; F962-F970 HydrophobicContact CE2-CE2 4.45Å; F962-F970 HydrophobicContact CZ-CB 4.45Å; F962-F970 HydrophobicContact CZ-CD2 4.29Å; F962-F970 HydrophobicContact CZ-CG 4.22Å; F962-M997 HydrophobicContact CZ-CE 4.21Å |
| 963 | K | 83.9 | Confident | 85.3 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | -177.1 | -175.2 | 176.8 | 177.7 | 175.5 | 0 | 112.1 | R959 A960 L967 V1000 | R959-K963 WeakPolarHBondContact O-CB 3.32Å; R959-K963 PolarHBondContact O-N 3.02Å; A960-K963 PolarHBondContact O-N 3.45Å; K963-L967 HydrophobicContact CG-CD2 4.42Å; K963-L967 WeakPolarHBondContact O-CB 3.2Å; K963-V1000 HydrophobicContact CD-CG1 4.03Å; K963-V1000 HydrophobicContact CG-CG1 4.38Å |
| 964 | E | 83.3 | Confident | 85.4 | Confident | 153 Ų | 153 | 46.7 Ų | 46.7 | 72% | 0.715 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -83.2 | -33.2 | -173.7 | -65.9 | 174.9 | -176.1 | 0 | 0 | 113.1 | A960 F962 | A960-E964 VanDerWaalsContact O-CB 3.31Å; A960-E964 WeakPolarHBondContact O-CB 3.34Å; A960-E964 WeakPolarHBondContact O-CG 3.47Å; A960-E964 PolarHBondContact O-N 3.18Å; F962-E964 PolarHBondContact O-N 3.32Å |
| 965 | Q | 84.5 | Confident | 85.5 | Confident | 111 Ų | 111 | 46.3 Ų | 46.3 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -110.1 | -24.4 | -170.6 | -56.8 | -175.3 | 2.7 | 0 | 0 | 115 | M921 L961 | M921-Q965 HydrophobicContact CE-CB 4.41Å; L961-Q965 WeakPolarHBondContact O-CB 3.44Å; L961-Q965 PolarHBondContact O-N 3.31Å |
| 966 | L | 86.8 | Confident | 85.3 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -22.8 | -168.4 | -65.3 | 175.3 | 0 | 0 | 0 | 114.6 | M921 L924 F962 A968 S969 F970 | M921-L966 HydrophobicContact CE-CD1 4.19Å; M921-L966 HydrophobicContact CE-CD2 3.92Å; M921-L966 HydrophobicContact CE-CG 4.1Å; M921-L966 HydrophobicContact SD-CD1 3.87Å; M921-L966 HydrophobicContact SD-CG 4.33Å; L924-L966 HydrophobicContact CB-CD1 3.67Å; L924-L966 HydrophobicContact CD1-CD1 3.39Å; L924-L966 HydrophobicContact CG-CD1 4.2Å; F962-L966 HydrophobicContact CD2-CB 4.21Å; F962-L966 HydrophobicContact CD2-CD1 4.18Å; F962-L966 HydrophobicContact CE2-CB 4.28Å; F962-L966 HydrophobicContact CG-CB 4.44Å; F962-L966 CarbonylContact O-C 3.27Å; F962-L966 PolarHBondContact O-N 3.26Å; L966-A968 PolarHBondContact O-N 3.03Å; L966-S969 PolarHBondContact O-N 3.24Å; L966-S969 PolarHBondContact O-OG 3.47Å; L966-F970 HydrophobicContact CB-CD2 3.99Å; L966-F970 HydrophobicContact CB-CE2 4.18Å; L966-F970 HydrophobicContact CD1-CE2 4.45Å; L966-F970 HydrophobicContact CD2-CE2 4.3Å; L966-F970 WeakPolarHBondContact O-CD2 3.49Å; L966-F970 PolarHBondContact O-N 3.31Å |
| 967 | L | 87.6 | Confident | 85.1 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.6 | -49.4 | -174.1 | -174 | 69.5 | 0 | 0 | 0 | 112.8 | F962 K963 Q971 M997 D1001 Q1004 | F962-L967 HydrophobicContact CD1-CD1 4.38Å; F962-L967 HydrophobicContact CE1-CB 4.44Å; F962-L967 HydrophobicContact CE1-CD1 3.95Å; F962-L967 PolarHBondContact O-N 2.88Å; K963-L967 HydrophobicContact CG-CD2 4.42Å; K963-L967 WeakPolarHBondContact O-CB 3.2Å; L967-Q971 WeakPolarHBondContact O-CB 3.41Å; L967-Q971 WeakPolarHBondContact O-CG 3.43Å; L967-Q971 PolarHBondContact O-N 3.32Å; L967-M997 HydrophobicContact CD1-CB 3.85Å; L967-M997 HydrophobicContact CD1-CG 3.97Å; L967-M997 HydrophobicContact CD1-SD 4.37Å; L967-D1001 HydrophobicContact CD2-CB 3.84Å; L967-Q1004 HydrophobicContact CD2-CB 4.43Å; L967-Q1004 HydrophobicContact CD2-CG 4.36Å |
| 968 | A | 86.6 | Confident | 84.9 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67 | -37.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L966 R972 Q1004 | L966-A968 PolarHBondContact O-N 3.03Å; A968-R972 WeakPolarHBondContact O-CB 3.5Å; A968-R972 PolarHBondContact O-N 3.18Å; A968-Q1004 HydrophobicContact CB-CG 4.2Å |
| 969 | S | 87.1 | Confident | 84.3 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 41% | 0.413 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.1 | -38.6 | 179.6 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | L966 R972 A973 | L966-S969 PolarHBondContact O-N 3.24Å; L966-S969 PolarHBondContact O-OG 3.47Å; S969-R972 PolarHBondContact O-N 2.92Å; S969-A973 WeakPolarHBondContact O-CB 3.43Å; S969-A973 PolarHBondContact O-N 3.13Å |
| 970 | F | 89.2 | Confident | 83.9 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68 | -44.3 | 175.5 | -90.1 | -96.7 | 0 | 0 | 0 | 112.6 | L924 L931 M947 F962 L966 R972 A973 L974 M997 | L924-F970 VanDerWaalsContact O-CZ 3.32Å; L924-F970 WeakPolarHBondContact O-CZ 3.47Å; L931-F970 HydrophobicContact CD1-CD1 3.79Å; L931-F970 HydrophobicContact CD1-CE1 3.74Å; M947-F970 HydrophobicContact CE-CD1 3.57Å; M947-F970 HydrophobicContact CE-CE1 3.61Å; M947-F970 HydrophobicContact CE-CG 4.47Å; M947-F970 HydrophobicContact SD-CD1 4.01Å; M947-F970 HydrophobicContact SD-CE1 3.58Å; M947-F970 VanDerWaalsContact SD-CE1 3.58Å; F962-F970 HydrophobicContact CE2-CD2 4.43Å; F962-F970 HydrophobicContact CE2-CE2 4.45Å; F962-F970 HydrophobicContact CZ-CB 4.45Å; F962-F970 HydrophobicContact CZ-CD2 4.29Å; F962-F970 HydrophobicContact CZ-CG 4.22Å; L966-F970 HydrophobicContact CB-CD2 3.99Å; L966-F970 HydrophobicContact CB-CE2 4.18Å; L966-F970 HydrophobicContact CD1-CE2 4.45Å; L966-F970 HydrophobicContact CD2-CE2 4.3Å; L966-F970 WeakPolarHBondContact O-CD2 3.49Å; L966-F970 PolarHBondContact O-N 3.31Å; F970-R972 VanDerWaalsContact C-N 3.27Å; F970-R972 PolarHBondContact O-N 3.34Å; F970-A973 PolarHBondContact O-N 3.47Å; F970-L974 WeakPolarHBondContact O-CB 3.42Å; F970-L974 VanDerWaalsContact O-CG 3.31Å; F970-L974 WeakPolarHBondContact O-CG 3.35Å; F970-L974 PolarHBondContact O-N 3.06Å; F970-M997 HydrophobicContact CB-CE 4.1Å; F970-M997 HydrophobicContact CB-SD 4.25Å; F970-M997 HydrophobicContact CD1-CE 4.48Å |
| 971 | Q | 87.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.3 | -44.2 | 174.5 | -75.7 | 176.4 | -9.3 | 0 | 0 | 111 | L967 L974 L975 L994 M997 Q1004 L1005 S1008 | L967-Q971 WeakPolarHBondContact O-CB 3.41Å; L967-Q971 WeakPolarHBondContact O-CG 3.43Å; L967-Q971 PolarHBondContact O-N 3.32Å; Q971-L974 PolarHBondContact O-N 3.47Å; Q971-L975 WeakPolarHBondContact O-CB 3.08Å; Q971-L975 VanDerWaalsContact O-CG 3.29Å; Q971-L975 WeakPolarHBondContact O-CG 3.35Å; Q971-L975 PolarHBondContact O-N 3.28Å; Q971-L994 HydrophobicContact CG-CD2 4.46Å; Q971-M997 HydrophobicContact CG-CB 4.25Å; Q971-M997 HydrophobicContact CG-SD 3.95Å; Q971-Q1004 PolarHBondContact OE1-O 3.03Å; Q971-L1005 HydrophobicContact CG-CD1 4.39Å; Q971-S1008 PolarHBondContact OE1-OG 3.34Å; Q971-S1008 VanDerWaalsContact OE1-OG 3.07Å |
| 972 | R | 85.6 | Confident | 82.4 | Confident | 105 Ų | 105 | 46.4 Ų | 46.4 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 176.6 | -171.3 | 177.8 | -64.6 | 133.7 | 2.1 | 112.9 | A968 S969 F970 L974 L975 N976 | A968-R972 WeakPolarHBondContact O-CB 3.5Å; A968-R972 PolarHBondContact O-N 3.18Å; S969-R972 PolarHBondContact O-N 2.92Å; F970-R972 VanDerWaalsContact C-N 3.27Å; F970-R972 PolarHBondContact O-N 3.34Å; R972-L974 VanDerWaalsContact C-N 3.34Å; R972-L974 PolarHBondContact O-N 2.94Å; R972-L975 PolarHBondContact O-N 3.01Å; R972-N976 WeakPolarHBondContact O-CB 3.38Å; R972-N976 VanDerWaalsContact O-CG 3.28Å; R972-N976 PolarHBondContact O-N 2.92Å |
| 973 | A | 85.8 | Confident | 81.5 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L931 V932 S969 F970 N976 L977 | L931-A973 HydrophobicContact CB-CB 4.44Å; V932-A973 HydrophobicContact CG2-CB 3.79Å; S969-A973 WeakPolarHBondContact O-CB 3.43Å; S969-A973 PolarHBondContact O-N 3.13Å; F970-A973 PolarHBondContact O-N 3.47Å; A973-N976 PolarHBondContact O-N 3.35Å; A973-L977 VanDerWaalsContact O-CB 3.29Å; A973-L977 WeakPolarHBondContact O-CB 3.43Å; A973-L977 PolarHBondContact O-N 3.07Å |
| 974 | L | 86.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 177.8 | -69.7 | 179.3 | 0 | 0 | 0 | 112.9 | L931 L944 F970 Q971 R972 L977 L978 I990 A993 L994 M997 | L931-L974 HydrophobicContact CD1-CD2 3.98Å; L931-L974 HydrophobicContact CD2-CD2 4.21Å; L944-L974 HydrophobicContact CD2-CD2 3.62Å; F970-L974 WeakPolarHBondContact O-CB 3.42Å; F970-L974 VanDerWaalsContact O-CG 3.31Å; F970-L974 WeakPolarHBondContact O-CG 3.35Å; F970-L974 PolarHBondContact O-N 3.06Å; Q971-L974 PolarHBondContact O-N 3.47Å; R972-L974 VanDerWaalsContact C-N 3.34Å; R972-L974 PolarHBondContact O-N 2.94Å; L974-L977 PolarHBondContact O-N 3.23Å; L974-L978 WeakPolarHBondContact O-CG 3.35Å; L974-L978 PolarHBondContact O-N 3.29Å; L974-I990 HydrophobicContact CB-CG2 3.81Å; L974-I990 HydrophobicContact CD2-CG1 4.37Å; L974-I990 HydrophobicContact CD2-CG2 4Å; L974-I990 HydrophobicContact CG-CG2 4.31Å; L974-A993 HydrophobicContact CD1-CB 3.97Å; L974-L994 HydrophobicContact CB-CD1 4.45Å; L974-L994 HydrophobicContact CB-CD2 3.84Å; L974-L994 HydrophobicContact CB-CG 4.12Å; L974-L994 HydrophobicContact CD1-CD2 4.01Å; L974-L994 HydrophobicContact CD1-CG 4.15Å; L974-M997 HydrophobicContact CD1-CE 3.93Å; L974-M997 HydrophobicContact CD1-SD 4.19Å |
| 975 | L | 84.3 | Confident | 80.6 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | 175.6 | -71.5 | 172.4 | 0 | 0 | 0 | 112 | Q971 R972 L977 L978 L979 L994 F1009 A1012 | Q971-L975 WeakPolarHBondContact O-CB 3.08Å; Q971-L975 VanDerWaalsContact O-CG 3.29Å; Q971-L975 WeakPolarHBondContact O-CG 3.35Å; Q971-L975 PolarHBondContact O-N 3.28Å; R972-L975 PolarHBondContact O-N 3.01Å; L975-L977 VanDerWaalsContact C-N 3.31Å; L975-L977 PolarHBondContact O-N 3.08Å; L975-L978 PolarHBondContact O-N 3.19Å; L975-L979 WeakPolarHBondContact O-CG 3.4Å; L975-L979 PolarHBondContact O-N 3.49Å; L975-L994 HydrophobicContact CD2-CD1 3.84Å; L975-L994 HydrophobicContact CG-CD1 4.41Å; L975-L994 HydrophobicContact CG-CD2 4.36Å; L975-F1009 HydrophobicContact CD1-CD1 4.09Å; L975-F1009 HydrophobicContact CD1-CE1 4.43Å; L975-F1009 HydrophobicContact CD1-CG 4.33Å; L975-F1009 HydrophobicContact CD2-CD1 3.74Å; L975-F1009 HydrophobicContact CD2-CE1 3.33Å; L975-F1009 HydrophobicContact CD2-CZ 3.93Å; L975-A1012 HydrophobicContact CB-CB 4.32Å; L975-A1012 HydrophobicContact CD1-CB 4.3Å |
| 976 | N | 82.6 | Confident | 80.4 | Confident | 84 Ų | 84 | 39.9 Ų | 39.9 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.6 | -36.6 | 175.4 | -72.6 | -9.9 | 0 | 0 | 0 | 111.8 | R972 A973 L979 S980 | R972-N976 WeakPolarHBondContact O-CB 3.38Å; R972-N976 VanDerWaalsContact O-CG 3.28Å; R972-N976 PolarHBondContact O-N 2.92Å; A973-N976 PolarHBondContact O-N 3.35Å; N976-L979 PolarHBondContact O-N 2.87Å; N976-S980 PolarHBondContact O-N 2.81Å; N976-S980 VanDerWaalsContact O-N 3.09Å |
| 977 | L | 82.1 | Confident | 80.3 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 174.3 | -175.1 | 64.5 | 0 | 0 | 0 | 111.1 | L931 V940 A973 L974 L975 L979 S980 G983 I990 | L931-L977 HydrophobicContact CD2-CD2 4.36Å; V940-L977 HydrophobicContact CG1-CD2 3.91Å; A973-L977 VanDerWaalsContact O-CB 3.29Å; A973-L977 WeakPolarHBondContact O-CB 3.43Å; A973-L977 PolarHBondContact O-N 3.07Å; L974-L977 PolarHBondContact O-N 3.23Å; L975-L977 VanDerWaalsContact C-N 3.31Å; L975-L977 PolarHBondContact O-N 3.08Å; L977-L979 VanDerWaalsContact C-N 3.27Å; L977-L979 PolarHBondContact O-N 3.47Å; L977-S980 PolarHBondContact O-N 3.32Å; L977-S980 VanDerWaalsContact O-N 3.1Å; L977-S980 PolarHBondContact O-OG 3.25Å; L977-G983 WeakPolarHBondContact O-CA 3.48Å; L977-G983 PolarHBondContact O-N 3.17Å; L977-I990 HydrophobicContact CD2-CD1 3.8Å; L977-I990 HydrophobicContact CG-CD1 4.09Å |
| 978 | L | 79.6 | Confident | 80.1 | Confident | 15 Ų | 15 | 45.9 Ų | 45.9 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -34.1 | 173.7 | -79.8 | 174.1 | 0 | 0 | 0 | 113.3 | L974 L975 S980 F987 I990 L994 L1037 M1041 | L974-L978 WeakPolarHBondContact O-CG 3.35Å; L974-L978 PolarHBondContact O-N 3.29Å; L975-L978 PolarHBondContact O-N 3.19Å; L978-S980 VanDerWaalsContact C-N 3.29Å; L978-F987 HydrophobicContact CD2-CD2 3.56Å; L978-F987 HydrophobicContact CD2-CE2 3.97Å; L978-F987 HydrophobicContact CD2-CG 4.46Å; L978-I990 HydrophobicContact CD1-CG2 3.68Å; L978-I990 HydrophobicContact CD2-CB 4.02Å; L978-I990 HydrophobicContact CD2-CD1 3.92Å; L978-I990 HydrophobicContact CD2-CG2 3.98Å; L978-I990 HydrophobicContact CG-CB 4.2Å; L978-I990 HydrophobicContact CG-CD1 4.19Å; L978-I990 HydrophobicContact CG-CG2 3.59Å; L978-L994 HydrophobicContact CD1-CD1 3.55Å; L978-L1037 HydrophobicContact CD1-CD2 3.98Å; L978-M1041 HydrophobicContact CB-SD 3.93Å |
| 979 | L | 73.7 | Confident | 80 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -74.7 | -18.5 | 175.4 | -76 | 172.4 | 0 | 0 | 0 | 113 | L975 N976 L977 A1012 L1014 M1041 | L975-L979 WeakPolarHBondContact O-CG 3.4Å; L975-L979 PolarHBondContact O-N 3.49Å; N976-L979 PolarHBondContact O-N 2.87Å; L977-L979 VanDerWaalsContact C-N 3.27Å; L977-L979 PolarHBondContact O-N 3.47Å; L979-A1012 HydrophobicContact CD1-CB 4.4Å; L979-L1014 HydrophobicContact CD1-CD2 4.44Å; L979-L1014 HydrophobicContact CD2-CD2 3.65Å; L979-L1014 HydrophobicContact CG-CD2 4.45Å; L979-M1041 HydrophobicContact CD2-CE 3.75Å; L979-M1041 HydrophobicContact CD2-SD 4.36Å |
| 980 | S | 74.2 | Confident | 80 | Confident | 42 Ų | 42 | 42.8 Ų | 42.8 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -81.8 | 154.4 | 173.7 | 91.8 | 0 | 0 | 0 | 0 | 110.7 | N976 L977 L978 E982 G983 | N976-S980 PolarHBondContact O-N 2.81Å; N976-S980 VanDerWaalsContact O-N 3.09Å; L977-S980 PolarHBondContact O-N 3.32Å; L977-S980 VanDerWaalsContact O-N 3.1Å; L977-S980 PolarHBondContact O-OG 3.25Å; L978-S980 VanDerWaalsContact C-N 3.29Å; S980-E982 PolarHBondContact O-N 3.42Å; S980-E982 PolarHBondContact OG-N 2.98Å; S980-G983 PolarHBondContact O-N 3.43Å |
| 981 | G | 66 | Low | 79.8 | Confident | 68 Ų | 68 | 42.6 Ų | 42.6 | 70% | 0.701 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -60.1 | -26.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S984 | G981-S984 PolarHBondContact O-OG 3.08Š|
| 982 | E | 67.7 | Low | 79.8 | Confident | 91 Ų | 91 | 45.6 Ų | 45.6 | 43% | 0.425 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -75.5 | -29.1 | -178.3 | -63.7 | 178.2 | 163.8 | 0 | 0 | 112.8 | G934 S980 S984 L985 | G934-E982 WeakPolarHBondContact CA-OE2 3.3Å; G934-E982 VanDerWaalsContact O-OE2 3.06Å; S980-E982 PolarHBondContact O-N 3.42Å; S980-E982 PolarHBondContact OG-N 2.98Å; E982-S984 PolarHBondContact O-N 3.36Å; E982-L985 PolarHBondContact O-N 2.96Å |
| 983 | G | 66.9 | Low | 79.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -65 | -19.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | L977 S980 L985 H986 F987 | L977-G983 WeakPolarHBondContact O-CA 3.48Å; L977-G983 PolarHBondContact O-N 3.17Å; S980-G983 PolarHBondContact O-N 3.43Å; G983-L985 PolarHBondContact O-N 3.24Å; G983-H986 CarbonylContact O-C 3.6Å; G983-H986 PolarHBondContact O-N 3.19Å; G983-H986 VanDerWaalsContact O-N 3.13Å; G983-F987 PolarHBondContact O-N 3.49Å |
| 984 | S | 70.9 | Confident | 79.9 | Confident | 85 Ų | 85 | 40.5 Ų | 40.5 | 59% | 0.594 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -58.7 | -32.9 | 175.9 | 65.8 | 0 | 0 | 0 | 0 | 112.8 | G981 E982 H986 | G981-S984 PolarHBondContact O-OG 3.08Å; E982-S984 PolarHBondContact O-N 3.36Å; S984-H986 VanDerWaalsContact C-N 3.27Å; S984-H986 PolarHBondContact O-N 3.17Å |
| 985 | L | 77.3 | Confident | 79.9 | Confident | 116 Ų | 116 | 42 Ų | 42 | 61% | 0.607 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -69.1 | -23.5 | 179.5 | -63.5 | 174.2 | 0 | 0 | 0 | 113.3 | P937 E982 G983 | P937-L985 HydrophobicContact CB-CD1 4.12Å; P937-L985 HydrophobicContact CG-CD1 4.05Å; E982-L985 PolarHBondContact O-N 2.96Å; G983-L985 PolarHBondContact O-N 3.24Å |
| 986 | H | 80.2 | Confident | 80 | Confident | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -122.7 | 19.2 | -173.6 | -56.9 | -44.7 | 0 | 0 | 0 | 113.1 | P937 L944 G983 S984 D988 M989 I990 | P937-H986 WeakPolarHBondContact CA-NE2 3.3Å; P937-H986 WeakPolarHBondContact CB-NE2 3.45Å; P937-H986 PolarHBondContact O-CE1 2.9Å; P937-H986 VanDerWaalsContact O-CE1 3.27Å; P937-H986 PolarHBondContact O-NE2 2.96Å; L944-H986 HydrophobicContact CD1-CB 4.06Å; G983-H986 CarbonylContact O-C 3.6Å; G983-H986 PolarHBondContact O-N 3.19Å; G983-H986 VanDerWaalsContact O-N 3.13Å; S984-H986 VanDerWaalsContact C-N 3.27Å; S984-H986 PolarHBondContact O-N 3.17Å; H986-D988 VanDerWaalsContact C-N 3.35Å; H986-D988 PolarHBondContact O-N 3.27Å; H986-M989 PolarHBondContact O-N 2.89Å; H986-M989 VanDerWaalsContact O-N 3.11Å; H986-I990 HydrophobicContact CB-CD1 4.07Å; H986-I990 HydrophobicContact CB-CG1 4.29Å; H986-I990 WeakPolarHBondContact O-CG1 3.39Å; H986-I990 PolarHBondContact O-N 3Å |
| 987 | F | 83.6 | Confident | 80.1 | Confident | 33 Ų | 33 | 39 Ų | 39 | 15% | 0.145 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -49.3 | -51.4 | -172.6 | -177 | -91.6 | 0 | 0 | 0 | 113.1 | L978 G983 M989 I990 A991 T1034 L1037 T1038 M1041 | L978-F987 HydrophobicContact CD2-CD2 3.56Å; L978-F987 HydrophobicContact CD2-CE2 3.97Å; L978-F987 HydrophobicContact CD2-CG 4.46Å; G983-F987 PolarHBondContact O-N 3.49Å; F987-M989 VanDerWaalsContact C-N 3.32Å; F987-M989 PolarHBondContact O-N 2.81Å; F987-I990 PolarHBondContact O-N 3.1Å; F987-A991 HydrophobicContact CE1-CB 4.35Å; F987-A991 VanDerWaalsContact O-CB 3.3Å; F987-A991 WeakPolarHBondContact O-CB 3.32Å; F987-A991 PolarHBondContact O-N 2.99Å; F987-T1034 HydrophobicContact CD1-CG2 4.28Å; F987-T1034 HydrophobicContact CE1-CG2 3.67Å; F987-L1037 HydrophobicContact CE2-CD2 4.23Å; F987-L1037 HydrophobicContact CE2-CG 4.07Å; F987-L1037 HydrophobicContact CZ-CB 4Å; F987-L1037 HydrophobicContact CZ-CD2 3.98Å; F987-L1037 HydrophobicContact CZ-CG 3.81Å; F987-T1038 WeakPolarHBondContact CE1-OG1 3.34Å; F987-T1038 WeakPolarHBondContact CZ-OG1 3.48Å; F987-M1041 HydrophobicContact CE2-CG 4.08Å |
| 988 | D | 84 | Confident | 80.2 | Confident | 102 Ų | 102 | 38.7 Ų | 38.7 | 55% | 0.545 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -40.3 | -176.9 | -68.9 | -27.1 | 0 | 0 | 0 | 112.8 | H986 Q992 | H986-D988 VanDerWaalsContact C-N 3.35Å; H986-D988 PolarHBondContact O-N 3.27Å; D988-Q992 WeakPolarHBondContact O-CB 3.42Å; D988-Q992 VanDerWaalsContact O-CG 3.23Å; D988-Q992 WeakPolarHBondContact O-CG 3.45Å; D988-Q992 PolarHBondContact O-N 3.48Å |
| 989 | M | 84.4 | Confident | 80.4 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73 | -39.2 | -179.2 | -65 | -179.3 | 71.1 | 0 | 0 | 111.4 | R941 L944 F945 H986 F987 Q992 A993 | R941-M989 HydrophobicContact CG-CE 4.16Å; R941-M989 HydrophobicContact CG-SD 3.73Å; R941-M989 WeakPolarHBondContact O-CE 3.44Å; L944-M989 HydrophobicContact CB-CB 4.28Å; L944-M989 HydrophobicContact CB-CE 3.76Å; L944-M989 HydrophobicContact CD1-CB 4.08Å; F945-M989 HydrophobicContact CB-CE 3.69Å; F945-M989 HydrophobicContact CD2-CE 4.4Å; H986-M989 PolarHBondContact O-N 2.89Å; H986-M989 VanDerWaalsContact O-N 3.11Å; F987-M989 VanDerWaalsContact C-N 3.32Å; F987-M989 PolarHBondContact O-N 2.81Å; M989-Q992 PolarHBondContact O-N 2.92Å; M989-A993 WeakPolarHBondContact O-CB 3.47Å; M989-A993 PolarHBondContact O-N 3.32Å |
| 990 | I | 86.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 175.9 | -59.6 | 166 | 0 | 0 | 0 | 110.2 | L944 L974 L977 L978 H986 F987 Q992 A993 L994 | L944-I990 HydrophobicContact CD1-CG1 3.68Å; L944-I990 HydrophobicContact CD2-CG1 4.41Å; L974-I990 HydrophobicContact CB-CG2 3.81Å; L974-I990 HydrophobicContact CD2-CG1 4.37Å; L974-I990 HydrophobicContact CD2-CG2 4Å; L974-I990 HydrophobicContact CG-CG2 4.31Å; L977-I990 HydrophobicContact CD2-CD1 3.8Å; L977-I990 HydrophobicContact CG-CD1 4.09Å; L978-I990 HydrophobicContact CD1-CG2 3.68Å; L978-I990 HydrophobicContact CD2-CB 4.02Å; L978-I990 HydrophobicContact CD2-CD1 3.92Å; L978-I990 HydrophobicContact CD2-CG2 3.98Å; L978-I990 HydrophobicContact CG-CB 4.2Å; L978-I990 HydrophobicContact CG-CD1 4.19Å; L978-I990 HydrophobicContact CG-CG2 3.59Å; H986-I990 HydrophobicContact CB-CD1 4.07Å; H986-I990 HydrophobicContact CB-CG1 4.29Å; H986-I990 WeakPolarHBondContact O-CG1 3.39Å; H986-I990 PolarHBondContact O-N 3Å; F987-I990 PolarHBondContact O-N 3.1Å; I990-Q992 VanDerWaalsContact C-N 3.35Å; I990-Q992 PolarHBondContact O-N 3.32Å; I990-A993 PolarHBondContact O-N 2.92Å; I990-L994 HydrophobicContact CG2-CD1 3.92Å; I990-L994 HydrophobicContact CG2-CG 4.2Å; I990-L994 WeakPolarHBondContact O-CB 3.38Å; I990-L994 WeakPolarHBondContact O-CG 3.02Å; I990-L994 PolarHBondContact O-N 3.46Å |
| 991 | A | 86 | Confident | 81.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F987 L994 Y995 F1033 T1034 L1037 | F987-A991 HydrophobicContact CE1-CB 4.35Å; F987-A991 VanDerWaalsContact O-CB 3.3Å; F987-A991 WeakPolarHBondContact O-CB 3.32Å; F987-A991 PolarHBondContact O-N 2.99Å; A991-L994 PolarHBondContact O-N 3.47Å; A991-Y995 WeakPolarHBondContact O-CB 3.32Å; A991-Y995 PolarHBondContact O-N 2.87Å; A991-F1033 HydrophobicContact CB-CE1 4.49Å; A991-F1033 VanDerWaalsContact O-CE1 3.29Å; A991-F1033 WeakPolarHBondContact O-CE1 3.44Å; A991-T1034 HydrophobicContact CB-CG2 4.2Å; A991-L1037 HydrophobicContact CB-CD2 3.77Å |
| 992 | Q | 86.8 | Confident | 82 | Confident | 62 Ų | 62 | 41.3 Ų | 41.3 | 29% | 0.29 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.8 | -73.9 | 173.7 | 34.5 | 0 | 0 | 112.4 | D988 M989 I990 Y995 A996 I1030 | D988-Q992 WeakPolarHBondContact O-CB 3.42Å; D988-Q992 VanDerWaalsContact O-CG 3.23Å; D988-Q992 WeakPolarHBondContact O-CG 3.45Å; D988-Q992 PolarHBondContact O-N 3.48Å; M989-Q992 PolarHBondContact O-N 2.92Å; I990-Q992 VanDerWaalsContact C-N 3.35Å; I990-Q992 PolarHBondContact O-N 3.32Å; Q992-Y995 PolarHBondContact O-N 3.47Å; Q992-A996 WeakPolarHBondContact O-CB 3.46Å; Q992-A996 PolarHBondContact O-N 3.45Å; Q992-I1030 HydrophobicContact CG-CG2 4.04Å |
| 993 | A | 87.4 | Confident | 82.7 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L974 M989 I990 A996 M997 | L974-A993 HydrophobicContact CD1-CB 3.97Å; M989-A993 WeakPolarHBondContact O-CB 3.47Å; M989-A993 PolarHBondContact O-N 3.32Å; I990-A993 PolarHBondContact O-N 2.92Å; A993-A996 PolarHBondContact O-N 3.34Å; A993-M997 WeakPolarHBondContact O-CB 3.35Å; A993-M997 VanDerWaalsContact O-CG 3.3Å; A993-M997 WeakPolarHBondContact O-CG 3.47Å; A993-M997 PolarHBondContact O-N 2.96Å |
| 994 | L | 86.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.8 | -76 | 174.5 | 0 | 0 | 0 | 111.9 | Q971 L974 L975 L978 I990 A991 M997 G998 L1005 F1033 L1037 | Q971-L994 HydrophobicContact CG-CD2 4.46Å; L974-L994 HydrophobicContact CB-CD1 4.45Å; L974-L994 HydrophobicContact CB-CD2 3.84Å; L974-L994 HydrophobicContact CB-CG 4.12Å; L974-L994 HydrophobicContact CD1-CD2 4.01Å; L974-L994 HydrophobicContact CD1-CG 4.15Å; L975-L994 HydrophobicContact CD2-CD1 3.84Å; L975-L994 HydrophobicContact CG-CD1 4.41Å; L975-L994 HydrophobicContact CG-CD2 4.36Å; L978-L994 HydrophobicContact CD1-CD1 3.55Å; I990-L994 HydrophobicContact CG2-CD1 3.92Å; I990-L994 HydrophobicContact CG2-CG 4.2Å; I990-L994 WeakPolarHBondContact O-CB 3.38Å; I990-L994 WeakPolarHBondContact O-CG 3.02Å; I990-L994 PolarHBondContact O-N 3.46Å; A991-L994 PolarHBondContact O-N 3.47Å; L994-M997 PolarHBondContact O-N 3.37Å; L994-G998 PolarHBondContact O-N 2.98Å; L994-L1005 HydrophobicContact CD2-CD1 4.3Å; L994-F1033 HydrophobicContact CB-CE1 4.25Å; L994-F1033 HydrophobicContact CB-CZ 4.17Å; L994-L1037 HydrophobicContact CD1-CD2 4.44Å |
| 995 | Y | 87.4 | Confident | 84 | Confident | 32 Ų | 32 | 45.3 Ų | 45.3 | 13% | 0.125 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.4 | -49 | 175.3 | 177.9 | -101.1 | 0 | 0 | 0 | 111.5 | A991 Q992 M997 G998 Q999 N1028 D1029 I1030 F1033 | A991-Y995 WeakPolarHBondContact O-CB 3.32Å; A991-Y995 PolarHBondContact O-N 2.87Å; Q992-Y995 PolarHBondContact O-N 3.47Å; Y995-M997 VanDerWaalsContact C-N 3.35Å; Y995-M997 PolarHBondContact O-N 3.49Å; Y995-G998 PolarHBondContact O-N 3.01Å; Y995-G998 VanDerWaalsContact O-N 3.15Å; Y995-Q999 HydrophobicContact CD1-CG 4.47Å; Y995-Q999 HydrophobicContact CE1-CG 4.05Å; Y995-Q999 HydrophobicContact CE2-CG 4.47Å; Y995-Q999 WeakPolarHBondContact O-CG 3.31Å; Y995-Q999 PolarHBondContact O-N 2.88Å; Y995-Q999 PolarHBondContact OH-NE2 2.68Å; Y995-Q999 VanDerWaalsContact OH-NE2 3.13Å; Y995-N1028 PolarHBondContact OH-O 3.12Å; Y995-D1029 PolarHBondContact OH-N 3.39Å; Y995-I1030 HydrophobicContact CD1-CD1 4.28Å; Y995-I1030 HydrophobicContact CD1-CG1 3.5Å; Y995-I1030 HydrophobicContact CE1-CD1 4.35Å; Y995-I1030 HydrophobicContact CE1-CG1 3.53Å; Y995-I1030 HydrophobicContact CG-CG1 4.21Å; Y995-F1033 HydrophobicContact CD2-CB 3.74Å; Y995-F1033 HydrophobicContact CD2-CD1 4.22Å; Y995-F1033 AromaticContact CD2-CD2 3.82Å; Y995-F1033 HydrophobicContact CD2-CD2 3.82Å; Y995-F1033 HydrophobicContact CD2-CE2 4.48Å; Y995-F1033 AromaticContact CD2-CG 3.66Å; Y995-F1033 HydrophobicContact CD2-CG 3.66Å; Y995-F1033 HydrophobicContact CE2-CB 4.28Å; Y995-F1033 HydrophobicContact CG-CB 4.49Å; Y995-F1033 HydrophobicContact CG-CD1 4.41Å; Y995-F1033 HydrophobicContact CG-CG 4.29Å |
| 996 | A | 84.9 | Confident | 84.1 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 21% | 0.207 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y957 Q992 A993 | Y957-A996 HydrophobicContact CD2-CB 3.93Å; Y957-A996 HydrophobicContact CE2-CB 3.67Å; Q992-A996 WeakPolarHBondContact O-CB 3.46Å; Q992-A996 PolarHBondContact O-N 3.45Å; A993-A996 PolarHBondContact O-N 3.34Å |
| 997 | M | 86.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 172.2 | -70.8 | -179.1 | -165.6 | 0 | 0 | 111.7 | M947 Y957 F962 L967 F970 Q971 L974 A993 L994 Y995 Q999 V1000 D1001 | M947-M997 HydrophobicContact CE-CE 3.5Å; Y957-M997 HydrophobicContact CD1-CE 4.33Å; Y957-M997 HydrophobicContact CD1-CG 4.13Å; Y957-M997 HydrophobicContact CD2-CG 3.86Å; Y957-M997 HydrophobicContact CE1-CE 3.61Å; Y957-M997 HydrophobicContact CE1-CG 4.14Å; Y957-M997 HydrophobicContact CE2-CE 4.46Å; Y957-M997 HydrophobicContact CE2-CG 3.87Å; Y957-M997 HydrophobicContact CG-CG 4.01Å; F962-M997 HydrophobicContact CZ-CE 4.21Å; L967-M997 HydrophobicContact CD1-CB 3.85Å; L967-M997 HydrophobicContact CD1-CG 3.97Å; L967-M997 HydrophobicContact CD1-SD 4.37Å; F970-M997 HydrophobicContact CB-CE 4.1Å; F970-M997 HydrophobicContact CB-SD 4.25Å; F970-M997 HydrophobicContact CD1-CE 4.48Å; Q971-M997 HydrophobicContact CG-CB 4.25Å; Q971-M997 HydrophobicContact CG-SD 3.95Å; L974-M997 HydrophobicContact CD1-CE 3.93Å; L974-M997 HydrophobicContact CD1-SD 4.19Å; A993-M997 WeakPolarHBondContact O-CB 3.35Å; A993-M997 VanDerWaalsContact O-CG 3.3Å; A993-M997 WeakPolarHBondContact O-CG 3.47Å; A993-M997 PolarHBondContact O-N 2.96Å; L994-M997 PolarHBondContact O-N 3.37Å; Y995-M997 VanDerWaalsContact C-N 3.35Å; Y995-M997 PolarHBondContact O-N 3.49Å; M997-Q999 VanDerWaalsContact C-N 3.34Å; M997-Q999 PolarHBondContact O-N 3.36Å; M997-V1000 WeakPolarHBondContact O-CB 3.41Å; M997-V1000 PolarHBondContact O-N 3.3Å; M997-V1000 VanDerWaalsContact O-N 3.14Å; M997-D1001 PolarHBondContact O-N 3Å |
| 998 | G | 83.4 | Confident | 84 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -34.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L994 Y995 V1000 D1001 R1002 | L994-G998 PolarHBondContact O-N 2.98Å; Y995-G998 PolarHBondContact O-N 3.01Å; Y995-G998 VanDerWaalsContact O-N 3.15Å; G998-V1000 PolarHBondContact O-N 3.24Å; G998-D1001 CarbonylContact O-C 3.6Å; G998-D1001 VanDerWaalsContact O-C 3.26Å; G998-D1001 PolarHBondContact O-N 3.47Å; G998-R1002 WeakPolarHBondContact O-CA 3.35Å; G998-R1002 WeakPolarHBondContact O-CG 3.3Å; G998-R1002 PolarHBondContact O-N 3.49Å; G998-R1002 VanDerWaalsContact O-N 3.11Å |
| 999 | Q | 84.2 | Confident | 83.7 | Confident | 74 Ų | 74 | 39.6 Ų | 39.6 | 35% | 0.346 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.3 | 174.8 | -66.9 | -57.3 | -23.9 | 0 | 0 | 113.3 | Y995 M997 T1027 | Y995-Q999 HydrophobicContact CD1-CG 4.47Å; Y995-Q999 HydrophobicContact CE1-CG 4.05Å; Y995-Q999 HydrophobicContact CE2-CG 4.47Å; Y995-Q999 WeakPolarHBondContact O-CG 3.31Å; Y995-Q999 PolarHBondContact O-N 2.88Å; Y995-Q999 PolarHBondContact OH-NE2 2.68Å; Y995-Q999 VanDerWaalsContact OH-NE2 3.13Å; M997-Q999 VanDerWaalsContact C-N 3.34Å; M997-Q999 PolarHBondContact O-N 3.36Å; Q999-T1027 PolarHBondContact NE2-O 3.05Å |
| 1000 | V | 82.1 | Confident | 83.3 | Confident | 32 Ų | 32 | 42 Ų | 42 | 19% | 0.194 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -43.7 | 174.8 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | Y957 Q958 K963 M997 G998 | Y957-V1000 WeakPolarHBondContact O-CG1 3.29Å; Q958-V1000 HydrophobicContact CG-CG1 4.48Å; Q958-V1000 HydrophobicContact CG-CG2 3.83Å; K963-V1000 HydrophobicContact CD-CG1 4.03Å; K963-V1000 HydrophobicContact CG-CG1 4.38Å; M997-V1000 WeakPolarHBondContact O-CB 3.41Å; M997-V1000 PolarHBondContact O-N 3.3Å; M997-V1000 VanDerWaalsContact O-N 3.14Å; G998-V1000 PolarHBondContact O-N 3.24Å |
| 1001 | D | 82.9 | Confident | 82.7 | Confident | 46 Ų | 46 | 48 Ų | 48 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | trans | -146 | 98.1 | 176.3 | -158.5 | -36.5 | 0 | 0 | 0 | 111.8 | L967 M997 G998 R1003 Q1004 L1005 | L967-D1001 HydrophobicContact CD2-CB 3.84Å; M997-D1001 PolarHBondContact O-N 3Å; G998-D1001 CarbonylContact O-C 3.6Å; G998-D1001 VanDerWaalsContact O-C 3.26Å; G998-D1001 PolarHBondContact O-N 3.47Å; D1001-R1003 VanDerWaalsContact C-N 3.31Å; D1001-R1003 PolarHBondContact O-N 3.49Å; D1001-R1003 PolarHBondContact OD1-N 3.31Å; D1001-R1003 VanDerWaalsContact OD1-N 3.09Å; D1001-Q1004 HydrophobicContact CB-CB 3.93Å; D1001-Q1004 PolarHBondContact OD1-N 2.93Å; D1001-Q1004 VanDerWaalsContact OD1-N 3.12Å; D1001-L1005 PolarHBondContact O-N 3.04Å | ||
| 1002 | R | 82.2 | Confident | 81.8 | Confident | 111 Ų | 111 | 48.3 Ų | 48.3 | 42% | 0.419 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.7 | -29.8 | -179.9 | -63.8 | -179.1 | -174.6 | 177.1 | -4.9 | 112.4 | G998 L1006 | G998-R1002 WeakPolarHBondContact O-CA 3.35Å; G998-R1002 WeakPolarHBondContact O-CG 3.3Å; G998-R1002 PolarHBondContact O-N 3.49Å; G998-R1002 VanDerWaalsContact O-N 3.11Å; R1002-L1006 PolarHBondContact O-N 3.09Å |
| 1003 | R | 81.8 | Confident | 80.5 | Confident | 206 Ų | 206 | 50.5 Ų | 50.5 | 78% | 0.777 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -72.3 | -44.1 | -179.9 | -68.5 | -176.3 | -177.4 | 146.5 | 0.1 | 110.3 | D1001 L1005 L1006 E1007 | D1001-R1003 VanDerWaalsContact C-N 3.31Å; D1001-R1003 PolarHBondContact O-N 3.49Å; D1001-R1003 PolarHBondContact OD1-N 3.31Å; D1001-R1003 VanDerWaalsContact OD1-N 3.09Å; R1003-L1005 VanDerWaalsContact C-N 3.28Å; R1003-L1005 PolarHBondContact O-N 3.48Å; R1003-L1006 PolarHBondContact O-N 3.4Å; R1003-E1007 WeakPolarHBondContact O-CG 3.33Å; R1003-E1007 PolarHBondContact O-N 2.73Å |
| 1004 | Q | 82.5 | Confident | 79.3 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 177.2 | -164.3 | 64.1 | 57.2 | 0 | 0 | 112.5 | L967 A968 Q971 D1001 E1007 S1008 | L967-Q1004 HydrophobicContact CD2-CB 4.43Å; L967-Q1004 HydrophobicContact CD2-CG 4.36Å; A968-Q1004 HydrophobicContact CB-CG 4.2Å; Q971-Q1004 PolarHBondContact OE1-O 3.03Å; D1001-Q1004 HydrophobicContact CB-CB 3.93Å; D1001-Q1004 PolarHBondContact OD1-N 2.93Å; D1001-Q1004 VanDerWaalsContact OD1-N 3.12Å; Q1004-E1007 PolarHBondContact NE2-OE2 2.69Å; Q1004-E1007 PolarHBondContact O-N 2.61Å; Q1004-S1008 WeakPolarHBondContact O-CB 3.45Å; Q1004-S1008 PolarHBondContact O-N 3.2Å; Q1004-S1008 PolarHBondContact O-OG 3.24Å |
| 1005 | L | 82.1 | Confident | 77.9 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 175.4 | -177.9 | 64.8 | 0 | 0 | 0 | 111.5 | Q971 L994 D1001 R1003 E1007 S1008 F1009 | Q971-L1005 HydrophobicContact CG-CD1 4.39Å; L994-L1005 HydrophobicContact CD2-CD1 4.3Å; D1001-L1005 PolarHBondContact O-N 3.04Å; R1003-L1005 VanDerWaalsContact C-N 3.28Å; R1003-L1005 PolarHBondContact O-N 3.48Å; L1005-E1007 PolarHBondContact O-N 3.34Å; L1005-S1008 WeakPolarHBondContact O-CB 3.37Å; L1005-S1008 PolarHBondContact O-N 2.98Å; L1005-F1009 HydrophobicContact CD1-CD2 4.1Å; L1005-F1009 HydrophobicContact CD1-CE2 3.71Å; L1005-F1009 HydrophobicContact CD1-CZ 4.48Å; L1005-F1009 HydrophobicContact CD2-CE2 3.98Å; L1005-F1009 HydrophobicContact CG-CD2 3.87Å; L1005-F1009 HydrophobicContact CG-CE2 3.61Å; L1005-F1009 VanDerWaalsContact O-CD2 3.27Å; L1005-F1009 WeakPolarHBondContact O-CD2 3.47Å; L1005-F1009 PolarHBondContact O-N 3.16Å |
| 1006 | L | 79.2 | Confident | 76.6 | Confident | 50 Ų | 50 | 54 Ų | 54 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.5 | -176.7 | 66.3 | 0 | 0 | 0 | 111.4 | R1002 R1003 S1008 F1009 V1010 L1021 E1022 | R1002-L1006 PolarHBondContact O-N 3.09Å; R1003-L1006 PolarHBondContact O-N 3.4Å; L1006-S1008 VanDerWaalsContact C-N 3.29Å; L1006-S1008 PolarHBondContact O-N 3.2Å; L1006-F1009 PolarHBondContact O-N 3.02Å; L1006-V1010 WeakPolarHBondContact O-CG2 3.41Å; L1006-V1010 PolarHBondContact O-N 3.22Å; L1006-L1021 HydrophobicContact CD1-CB 4.11Å; L1006-E1022 HydrophobicContact CD1-CG 4.24Å; L1006-E1022 HydrophobicContact CD2-CG 4.32Å |
| 1007 | E | 81.4 | Confident | 75.6 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 174.3 | -72.2 | 176.9 | -176.4 | 0 | 0 | 111.6 | R1003 Q1004 L1005 V1010 H1011 | R1003-E1007 WeakPolarHBondContact O-CG 3.33Å; R1003-E1007 PolarHBondContact O-N 2.73Å; Q1004-E1007 PolarHBondContact NE2-OE2 2.69Å; Q1004-E1007 PolarHBondContact O-N 2.61Å; L1005-E1007 PolarHBondContact O-N 3.34Å; E1007-V1010 PolarHBondContact O-N 3.44Å; E1007-H1011 WeakPolarHBondContact O-CB 3.4Å; E1007-H1011 PolarHBondContact O-CD2 3.36Å; E1007-H1011 PolarHBondContact O-N 3.2Å |
| 1008 | S | 80.9 | Confident | 74.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 178.1 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | Q971 Q1004 L1005 L1006 H1011 A1012 | Q971-S1008 PolarHBondContact OE1-OG 3.34Å; Q971-S1008 VanDerWaalsContact OE1-OG 3.07Å; Q1004-S1008 WeakPolarHBondContact O-CB 3.45Å; Q1004-S1008 PolarHBondContact O-N 3.2Å; Q1004-S1008 PolarHBondContact O-OG 3.24Å; L1005-S1008 WeakPolarHBondContact O-CB 3.37Å; L1005-S1008 PolarHBondContact O-N 2.98Å; L1006-S1008 VanDerWaalsContact C-N 3.29Å; L1006-S1008 PolarHBondContact O-N 3.2Å; S1008-H1011 PolarHBondContact O-N 2.89Å; S1008-A1012 WeakPolarHBondContact O-CB 3.09Å; S1008-A1012 PolarHBondContact O-N 3.09Å |
| 1009 | F | 78.6 | Confident | 73.6 | Confident | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 172.9 | -83.6 | -65.8 | 0 | 0 | 0 | 112.4 | L975 L1005 L1006 H1011 A1012 L1014 L1021 I1024 L1037 | L975-F1009 HydrophobicContact CD1-CD1 4.09Å; L975-F1009 HydrophobicContact CD1-CE1 4.43Å; L975-F1009 HydrophobicContact CD1-CG 4.33Å; L975-F1009 HydrophobicContact CD2-CD1 3.74Å; L975-F1009 HydrophobicContact CD2-CE1 3.33Å; L975-F1009 HydrophobicContact CD2-CZ 3.93Å; L1005-F1009 HydrophobicContact CD1-CD2 4.1Å; L1005-F1009 HydrophobicContact CD1-CE2 3.71Å; L1005-F1009 HydrophobicContact CD1-CZ 4.48Å; L1005-F1009 HydrophobicContact CD2-CE2 3.98Å; L1005-F1009 HydrophobicContact CG-CD2 3.87Å; L1005-F1009 HydrophobicContact CG-CE2 3.61Å; L1005-F1009 VanDerWaalsContact O-CD2 3.27Å; L1005-F1009 WeakPolarHBondContact O-CD2 3.47Å; L1005-F1009 PolarHBondContact O-N 3.16Å; L1006-F1009 PolarHBondContact O-N 3.02Å; F1009-H1011 VanDerWaalsContact C-N 3.34Å; F1009-A1012 PolarHBondContact O-N 2.9Å; F1009-L1014 HydrophobicContact CD1-CD1 3.7Å; F1009-L1014 HydrophobicContact CE1-CD1 4.32Å; F1009-L1021 HydrophobicContact CB-CD1 4.38Å; F1009-L1021 HydrophobicContact CB-CD2 4.1Å; F1009-L1021 HydrophobicContact CD1-CD2 4.06Å; F1009-L1021 HydrophobicContact CG-CD2 4.08Å; F1009-I1024 HydrophobicContact CZ-CG2 4.48Å; F1009-L1037 HydrophobicContact CE1-CD1 4.17Å; F1009-L1037 HydrophobicContact CZ-CD1 4.21Å |
| 1010 | V | 75.3 | Confident | 72.7 | Confident | 78 Ų | 78 | 64.7 Ų | 64.7 | 47% | 0.473 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.5 | 173 | 0 | 0 | 0 | 0 | 110.8 | L1006 E1007 A1012 S1013 | L1006-V1010 WeakPolarHBondContact O-CG2 3.41Å; L1006-V1010 PolarHBondContact O-N 3.22Å; E1007-V1010 PolarHBondContact O-N 3.44Å; V1010-A1012 VanDerWaalsContact C-N 3.28Å; V1010-A1012 PolarHBondContact O-N 2.83Å; V1010-S1013 PolarHBondContact O-N 3.15Å |
| 1011 | H | 73.4 | Confident | 72.3 | Confident | 126 Ų | 126 | 63.5 Ų | 63.5 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -69 | -22.2 | 176.9 | -77.5 | -58.4 | 0 | 0 | 0 | 114.1 | E1007 S1008 F1009 S1013 | E1007-H1011 WeakPolarHBondContact O-CB 3.4Å; E1007-H1011 PolarHBondContact O-CD2 3.36Å; E1007-H1011 PolarHBondContact O-N 3.2Å; S1008-H1011 PolarHBondContact O-N 2.89Å; F1009-H1011 VanDerWaalsContact C-N 3.34Å; H1011-S1013 PolarHBondContact O-N 3.31Å |
| 1012 | A | 67.1 | Low | 71.7 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -0.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L975 L979 S1008 F1009 V1010 L1014 | L975-A1012 HydrophobicContact CB-CB 4.32Å; L975-A1012 HydrophobicContact CD1-CB 4.3Å; L979-A1012 HydrophobicContact CD1-CB 4.4Å; S1008-A1012 WeakPolarHBondContact O-CB 3.09Å; S1008-A1012 PolarHBondContact O-N 3.09Å; F1009-A1012 PolarHBondContact O-N 2.9Å; V1010-A1012 VanDerWaalsContact C-N 3.28Å; V1010-A1012 PolarHBondContact O-N 2.83Å; A1012-L1014 VanDerWaalsContact C-N 3.34Å; A1012-L1014 HydrophobicContact CB-CD1 4.38Å; A1012-L1014 PolarHBondContact O-N 3.24Å |
| 1013 | S | 61 | Low | 71.3 | Confident | 108 Ų | 108 | 64.9 Ų | 64.9 | 76% | 0.755 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 37.1 | 176.3 | 59.7 | 0 | 0 | 0 | 0 | 115.3 | V1010 H1011 | V1010-S1013 PolarHBondContact O-N 3.15Å; H1011-S1013 PolarHBondContact O-N 3.31Å |
| 1014 | L | 62.2 | Low | 71 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | trans | -72.6 | 129.8 | 176.6 | -70.7 | 157.6 | 0 | 0 | 0 | 110.9 | L979 F1009 A1012 V1016 L1040 M1041 A1044 | L979-L1014 HydrophobicContact CD1-CD2 4.44Å; L979-L1014 HydrophobicContact CD2-CD2 3.65Å; L979-L1014 HydrophobicContact CG-CD2 4.45Å; F1009-L1014 HydrophobicContact CD1-CD1 3.7Å; F1009-L1014 HydrophobicContact CE1-CD1 4.32Å; A1012-L1014 VanDerWaalsContact C-N 3.34Å; A1012-L1014 HydrophobicContact CB-CD1 4.38Å; A1012-L1014 PolarHBondContact O-N 3.24Å; L1014-V1016 PolarHBondContact O-N 3.14Å; L1014-L1040 HydrophobicContact CD1-CD2 4.02Å; L1014-L1040 HydrophobicContact CD2-CD2 4.37Å; L1014-M1041 HydrophobicContact CD2-CE 3.47Å; L1014-M1041 VanDerWaalsContact CD2-CE 3.47Å; L1014-A1044 HydrophobicContact CD2-CB 3.81Å | ||
| 1015 | P | 56.3 | Low | 70.7 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | trans | -81.4 | 63.1 | -178 | 35 | -36.6 | 0 | 0 | 0 | 111.1 | V1047 | P1015-V1047 HydrophobicContact CB-CB 4.38Å; P1015-V1047 HydrophobicContact CB-CG1 3.67Å; P1015-V1047 HydrophobicContact CG-CB 3.85Å; P1015-V1047 HydrophobicContact CG-CG1 3.65Å | ||
| 1016 | V | 61.4 | Low | 70.5 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 25% | 0.248 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -130.8 | 146.1 | -178.3 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | L1014 L1040 | L1014-V1016 PolarHBondContact O-N 3.14Å; V1016-L1040 HydrophobicContact CB-CD1 4.25Å; V1016-L1040 HydrophobicContact CG1-CD1 4.12Å; V1016-L1040 HydrophobicContact CG2-CD1 3.98Å; V1016-L1040 HydrophobicContact CG2-CG 4.18Å |
| 1017 | A | 63.1 | Low | 70.5 | Confident | 58 Ų | 58 | 57 Ų | 57 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | trans | -58.2 | 136.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1019 S1020 L1021 | A1017-T1019 PolarHBondContact O-N 3.05Å; A1017-T1019 VanDerWaalsContact O-N 3.12Å; A1017-S1020 PolarHBondContact O-N 3.09Å; A1017-L1021 PolarHBondContact O-N 3.06Å | ||
| 1018 | Q | 62.8 | Low | 70.2 | Confident | 135 Ų | 135 | 58.4 Ų | 58.4 | 63% | 0.631 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56.9 | -30.9 | -178.2 | -72.3 | -178.6 | -15.3 | 0 | 0 | 113 | S1020 L1021 E1022 | Q1018-S1020 PolarHBondContact O-N 2.99Å; Q1018-L1021 PolarHBondContact O-N 3.27Å; Q1018-E1022 WeakPolarHBondContact O-CG 3.38Å; Q1018-E1022 PolarHBondContact O-N 2.98Å |
| 1019 | T | 64.1 | Low | 70.3 | Confident | 88 Ų | 88 | 61.6 Ų | 61.6 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 176.9 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | A1017 E1022 E1023 | A1017-T1019 PolarHBondContact O-N 3.05Å; A1017-T1019 VanDerWaalsContact O-N 3.12Å; T1019-E1022 PolarHBondContact O-N 3.49Å; T1019-E1023 WeakPolarHBondContact O-CG 3.47Å; T1019-E1023 PolarHBondContact O-N 3.32Å |
| 1020 | S | 67.1 | Low | 70.5 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.2 | -33.8 | 178.7 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | A1017 Q1018 E1023 I1024 | A1017-S1020 PolarHBondContact O-N 3.09Å; Q1018-S1020 PolarHBondContact O-N 2.99Å; S1020-E1023 PolarHBondContact O-N 3.27Å; S1020-I1024 WeakPolarHBondContact O-CD1 3.3Å; S1020-I1024 VanDerWaalsContact O-CG1 3.27Å; S1020-I1024 WeakPolarHBondContact O-CG1 3.29Å; S1020-I1024 PolarHBondContact O-N 3.19Å |
| 1021 | L | 72.3 | Confident | 70.7 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 173 | -68.9 | 174.7 | 0 | 0 | 0 | 111.8 | L1006 F1009 A1017 Q1018 E1023 I1024 C1025 L1040 | L1006-L1021 HydrophobicContact CD1-CB 4.11Å; F1009-L1021 HydrophobicContact CB-CD1 4.38Å; F1009-L1021 HydrophobicContact CB-CD2 4.1Å; F1009-L1021 HydrophobicContact CD1-CD2 4.06Å; F1009-L1021 HydrophobicContact CG-CD2 4.08Å; A1017-L1021 PolarHBondContact O-N 3.06Å; Q1018-L1021 PolarHBondContact O-N 3.27Å; L1021-E1023 VanDerWaalsContact C-N 3.35Å; L1021-I1024 PolarHBondContact O-N 3.46Å; L1021-C1025 PolarHBondContact O-N 2.9Å; L1021-C1025 PolarHBondContact O-SG 2.71Å; L1021-L1040 HydrophobicContact CD2-CD1 3.49Å; L1021-L1040 VanDerWaalsContact CD2-CD1 3.49Å |
| 1022 | E | 71.1 | Confident | 71.1 | Confident | 84 Ų | 84 | 62 Ų | 62 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.9 | -75.5 | 178.6 | -175.9 | 0 | 0 | 111.4 | L1006 Q1018 T1019 I1024 C1025 Q1026 | L1006-E1022 HydrophobicContact CD1-CG 4.24Å; L1006-E1022 HydrophobicContact CD2-CG 4.32Å; Q1018-E1022 WeakPolarHBondContact O-CG 3.38Å; Q1018-E1022 PolarHBondContact O-N 2.98Å; T1019-E1022 PolarHBondContact O-N 3.49Å; E1022-I1024 PolarHBondContact O-N 3Å; E1022-C1025 PolarHBondContact O-N 3.16Å; E1022-Q1026 WeakPolarHBondContact O-CB 2.77Å; E1022-Q1026 WeakPolarHBondContact O-CG 3.49Å; E1022-Q1026 PolarHBondContact O-N 3.26Å |
| 1023 | E | 73.1 | Confident | 71.9 | Confident | 102 Ų | 102 | 61.8 Ų | 61.8 | 48% | 0.477 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 175 | -78.2 | -174.2 | -162 | 0 | 0 | 113.1 | T1019 S1020 L1021 Q1026 T1027 K1036 | T1019-E1023 WeakPolarHBondContact O-CG 3.47Å; T1019-E1023 PolarHBondContact O-N 3.32Å; S1020-E1023 PolarHBondContact O-N 3.27Å; L1021-E1023 VanDerWaalsContact C-N 3.35Å; E1023-Q1026 PolarHBondContact O-N 2.91Å; E1023-T1027 WeakPolarHBondContact O-CG2 3.42Å; E1023-T1027 PolarHBondContact O-N 3.3Å; E1023-K1036 IonicContact OE2-NZ 2.83Å; E1023-K1036 PolarHBondContact OE2-NZ 3.32Å |
| 1024 | I | 76.1 | Confident | 72.9 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 175.7 | -71.5 | 164.7 | 0 | 0 | 0 | 110 | F1009 S1020 L1021 E1022 Q1026 T1027 F1033 K1036 L1040 | F1009-I1024 HydrophobicContact CZ-CG2 4.48Å; S1020-I1024 WeakPolarHBondContact O-CD1 3.3Å; S1020-I1024 VanDerWaalsContact O-CG1 3.27Å; S1020-I1024 WeakPolarHBondContact O-CG1 3.29Å; S1020-I1024 PolarHBondContact O-N 3.19Å; L1021-I1024 PolarHBondContact O-N 3.46Å; E1022-I1024 PolarHBondContact O-N 3Å; I1024-Q1026 PolarHBondContact O-N 2.98Å; I1024-T1027 WeakPolarHBondContact O-CG2 3.44Å; I1024-T1027 PolarHBondContact O-N 3.33Å; I1024-T1027 PolarHBondContact O-OG1 3.29Å; I1024-F1033 HydrophobicContact CG2-CD2 3.8Å; I1024-F1033 HydrophobicContact CG2-CE2 3.5Å; I1024-F1033 HydrophobicContact CG2-CZ 4.3Å; I1024-F1033 WeakPolarHBondContact O-CD2 3.48Å; I1024-K1036 HydrophobicContact CD1-CB 4.35Å; I1024-K1036 HydrophobicContact CG1-CB 3.75Å; I1024-K1036 HydrophobicContact CG1-CD 4.13Å; I1024-L1040 HydrophobicContact CD1-CB 4.07Å; I1024-L1040 HydrophobicContact CD1-CD1 3.53Å; I1024-L1040 HydrophobicContact CD1-CG 4.36Å |
| 1025 | C | 75.5 | Confident | 73.8 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.4 | -17.4 | 179.4 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | L1021 E1022 | L1021-C1025 PolarHBondContact O-N 2.9Å; L1021-C1025 PolarHBondContact O-SG 2.71Å; E1022-C1025 PolarHBondContact O-N 3.16Å |
| 1026 | Q | 78.4 | Confident | 74.9 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 55% | 0.547 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -3.5 | 178.4 | -73.6 | 174.7 | 37.2 | 0 | 0 | 114 | E1022 E1023 I1024 | E1022-Q1026 WeakPolarHBondContact O-CB 2.77Å; E1022-Q1026 WeakPolarHBondContact O-CG 3.49Å; E1022-Q1026 PolarHBondContact O-N 3.26Å; E1023-Q1026 PolarHBondContact O-N 2.91Å; I1024-Q1026 PolarHBondContact O-N 2.98Å |
| 1027 | T | 79.4 | Confident | 75.9 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | trans | -62.2 | 143.3 | 178.3 | 55.7 | 0 | 0 | 0 | 0 | 112 | Q999 E1023 I1024 T1032 F1033 K1036 | Q999-T1027 PolarHBondContact NE2-O 3.05Å; E1023-T1027 WeakPolarHBondContact O-CG2 3.42Å; E1023-T1027 PolarHBondContact O-N 3.3Å; I1024-T1027 WeakPolarHBondContact O-CG2 3.44Å; I1024-T1027 PolarHBondContact O-N 3.33Å; I1024-T1027 PolarHBondContact O-OG1 3.29Å; T1027-T1032 HydrophobicContact CG2-CG2 3.97Å; T1027-F1033 WeakPolarHBondContact OG1-CD2 3.25Å; T1027-K1036 HydrophobicContact CG2-CD 4.22Å | ||
| 1028 | N | 75.3 | Confident | 76.6 | Confident | 125 Ų | 125 | 59.5 Ų | 59.5 | 67% | 0.668 | 32% | 0.315 | S | S | * | . | trans | -107.3 | -3.6 | -177.4 | -66.1 | -45.2 | 0 | 0 | 0 | 113 | Y995 | Y995-N1028 PolarHBondContact OH-O 3.12Š| ||
| 1029 | D | 82.8 | Confident | 77.2 | Confident | 68 Ų | 68 | 55 Ų | 55 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -137.6 | 143.5 | -177.3 | 67.3 | -68.8 | 0 | 0 | 0 | 111.8 | Y995 T1032 F1033 | Y995-D1029 PolarHBondContact OH-N 3.39Å; D1029-T1032 WeakPolarHBondContact OD1-CB 3.33Å; D1029-T1032 PolarHBondContact OD1-OG1 3.42Å; D1029-T1032 VanDerWaalsContact OD1-OG1 3.13Å; D1029-T1032 WeakPolarHBondContact OD2-CB 3.47Å; D1029-T1032 PolarHBondContact OD2-N 3.05Å; D1029-T1032 PolarHBondContact OD2-OG1 2.84Å; D1029-F1033 PolarHBondContact O-N 3.47Å; D1029-F1033 VanDerWaalsContact O-N 3.14Å |
| 1030 | I | 81.8 | Confident | 77.8 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | -177.2 | -63.2 | 167.9 | 0 | 0 | 0 | 112.3 | Q992 Y995 T1032 F1033 T1034 | Q992-I1030 HydrophobicContact CG-CG2 4.04Å; Y995-I1030 HydrophobicContact CD1-CD1 4.28Å; Y995-I1030 HydrophobicContact CD1-CG1 3.5Å; Y995-I1030 HydrophobicContact CE1-CD1 4.35Å; Y995-I1030 HydrophobicContact CE1-CG1 3.53Å; Y995-I1030 HydrophobicContact CG-CG1 4.21Å; I1030-T1032 VanDerWaalsContact C-N 3.33Å; I1030-T1032 PolarHBondContact O-N 2.97Å; I1030-F1033 PolarHBondContact O-N 3.3Å; I1030-F1033 VanDerWaalsContact O-N 3.17Å; I1030-T1034 WeakPolarHBondContact O-CB 3.12Å; I1030-T1034 PolarHBondContact O-N 3.49Å; I1030-T1034 PolarHBondContact O-OG1 2.85Å; I1030-T1034 VanDerWaalsContact O-OG1 3.08Å |
| 1031 | P | 80.2 | Confident | 78.1 | Confident | 91 Ų | 91 | 50.3 Ų | 50.3 | 59% | 0.591 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.8 | -43.5 | -177.9 | -24.5 | 35.2 | 0 | 0 | 0 | 112.6 | T1034 Q1035 | P1031-T1034 PolarHBondContact O-N 3.36Å; P1031-Q1035 VanDerWaalsContact O-CB 3.3Å; P1031-Q1035 WeakPolarHBondContact O-CB 3.5Å; P1031-Q1035 PolarHBondContact O-N 2.94Å |
| 1032 | T | 81.7 | Confident | 78.1 | Confident | 48 Ų | 48 | 55 Ų | 55 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 176.8 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | T1027 D1029 I1030 K1036 | T1027-T1032 HydrophobicContact CG2-CG2 3.97Å; D1029-T1032 WeakPolarHBondContact OD1-CB 3.33Å; D1029-T1032 PolarHBondContact OD1-OG1 3.42Å; D1029-T1032 VanDerWaalsContact OD1-OG1 3.13Å; D1029-T1032 WeakPolarHBondContact OD2-CB 3.47Å; D1029-T1032 PolarHBondContact OD2-N 3.05Å; D1029-T1032 PolarHBondContact OD2-OG1 2.84Å; I1030-T1032 VanDerWaalsContact C-N 3.33Å; I1030-T1032 PolarHBondContact O-N 2.97Å; T1032-K1036 HydrophobicContact CG2-CD 4.42Å; T1032-K1036 HydrophobicContact CG2-CG 4.42Å; T1032-K1036 WeakPolarHBondContact O-CB 3.47Å; T1032-K1036 WeakPolarHBondContact O-CG 3.28Å; T1032-K1036 PolarHBondContact O-N 2.62Å |
| 1033 | F | 84 | Confident | 78.1 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 174.7 | -178.1 | -93.3 | 0 | 0 | 0 | 111.8 | A991 L994 Y995 I1024 T1027 D1029 I1030 K1036 L1037 | A991-F1033 HydrophobicContact CB-CE1 4.49Å; A991-F1033 VanDerWaalsContact O-CE1 3.29Å; A991-F1033 WeakPolarHBondContact O-CE1 3.44Å; L994-F1033 HydrophobicContact CB-CE1 4.25Å; L994-F1033 HydrophobicContact CB-CZ 4.17Å; Y995-F1033 HydrophobicContact CD2-CB 3.74Å; Y995-F1033 HydrophobicContact CD2-CD1 4.22Å; Y995-F1033 AromaticContact CD2-CD2 3.82Å; Y995-F1033 HydrophobicContact CD2-CD2 3.82Å; Y995-F1033 HydrophobicContact CD2-CE2 4.48Å; Y995-F1033 AromaticContact CD2-CG 3.66Å; Y995-F1033 HydrophobicContact CD2-CG 3.66Å; Y995-F1033 HydrophobicContact CE2-CB 4.28Å; Y995-F1033 HydrophobicContact CG-CB 4.49Å; Y995-F1033 HydrophobicContact CG-CD1 4.41Å; Y995-F1033 HydrophobicContact CG-CG 4.29Å; I1024-F1033 HydrophobicContact CG2-CD2 3.8Å; I1024-F1033 HydrophobicContact CG2-CE2 3.5Å; I1024-F1033 HydrophobicContact CG2-CZ 4.3Å; I1024-F1033 WeakPolarHBondContact O-CD2 3.48Å; T1027-F1033 WeakPolarHBondContact OG1-CD2 3.25Å; D1029-F1033 PolarHBondContact O-N 3.47Å; D1029-F1033 VanDerWaalsContact O-N 3.14Å; I1030-F1033 PolarHBondContact O-N 3.3Å; I1030-F1033 VanDerWaalsContact O-N 3.17Å; F1033-K1036 PolarHBondContact O-N 3.03Å; F1033-L1037 HydrophobicContact CE1-CD2 3.9Å; F1033-L1037 HydrophobicContact CZ-CD2 4.49Å; F1033-L1037 VanDerWaalsContact O-CB 3.25Å; F1033-L1037 WeakPolarHBondContact O-CB 3.13Å; F1033-L1037 PolarHBondContact O-N 2.84Å |
| 1034 | T | 83 | Confident | 77.8 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 13% | 0.129 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 180 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | F987 A991 I1030 P1031 K1036 L1037 T1038 | F987-T1034 HydrophobicContact CD1-CG2 4.28Å; F987-T1034 HydrophobicContact CE1-CG2 3.67Å; A991-T1034 HydrophobicContact CB-CG2 4.2Å; I1030-T1034 WeakPolarHBondContact O-CB 3.12Å; I1030-T1034 PolarHBondContact O-N 3.49Å; I1030-T1034 PolarHBondContact O-OG1 2.85Å; I1030-T1034 VanDerWaalsContact O-OG1 3.08Å; P1031-T1034 PolarHBondContact O-N 3.36Å; T1034-K1036 PolarHBondContact O-N 3.49Å; T1034-L1037 PolarHBondContact O-N 3.15Å; T1034-T1038 PolarHBondContact O-N 3.22Å; T1034-T1038 PolarHBondContact O-OG1 2.78Å |
| 1035 | Q | 81.2 | Confident | 77.3 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.9 | -49.9 | 177.5 | -177.6 | -179.5 | -2 | 0 | 0 | 111.6 | P1031 L1037 T1038 Q1039 | P1031-Q1035 VanDerWaalsContact O-CB 3.3Å; P1031-Q1035 WeakPolarHBondContact O-CB 3.5Å; P1031-Q1035 PolarHBondContact O-N 2.94Å; Q1035-L1037 VanDerWaalsContact C-N 3.31Å; Q1035-L1037 PolarHBondContact O-N 3.18Å; Q1035-T1038 PolarHBondContact O-N 3.12Å; Q1035-Q1039 WeakPolarHBondContact O-CG 3.3Å; Q1035-Q1039 PolarHBondContact O-N 3.43Å |
| 1036 | K | 79.5 | Confident | 76.7 | Confident | 57 Ų | 57 | 52.8 Ų | 52.8 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -35.3 | 178.7 | -71 | -166.6 | 171.7 | -161.6 | 0 | 112.1 | E1023 I1024 T1027 T1032 F1033 T1034 Q1039 L1040 | E1023-K1036 IonicContact OE2-NZ 2.83Å; E1023-K1036 PolarHBondContact OE2-NZ 3.32Å; I1024-K1036 HydrophobicContact CD1-CB 4.35Å; I1024-K1036 HydrophobicContact CG1-CB 3.75Å; I1024-K1036 HydrophobicContact CG1-CD 4.13Å; T1027-K1036 HydrophobicContact CG2-CD 4.22Å; T1032-K1036 HydrophobicContact CG2-CD 4.42Å; T1032-K1036 HydrophobicContact CG2-CG 4.42Å; T1032-K1036 WeakPolarHBondContact O-CB 3.47Å; T1032-K1036 WeakPolarHBondContact O-CG 3.28Å; T1032-K1036 PolarHBondContact O-N 2.62Å; F1033-K1036 PolarHBondContact O-N 3.03Å; T1034-K1036 PolarHBondContact O-N 3.49Å; K1036-Q1039 PolarHBondContact O-N 3.41Å; K1036-L1040 VanDerWaalsContact O-CB 3.31Å; K1036-L1040 WeakPolarHBondContact O-CB 3.48Å; K1036-L1040 PolarHBondContact O-N 2.79Å |
| 1037 | L | 81 | Confident | 75.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 174.9 | -174.1 | 65.6 | 0 | 0 | 0 | 111.6 | L978 F987 A991 L994 F1009 F1033 T1034 Q1035 L1040 M1041 | L978-L1037 HydrophobicContact CD1-CD2 3.98Å; F987-L1037 HydrophobicContact CE2-CD2 4.23Å; F987-L1037 HydrophobicContact CE2-CG 4.07Å; F987-L1037 HydrophobicContact CZ-CB 4Å; F987-L1037 HydrophobicContact CZ-CD2 3.98Å; F987-L1037 HydrophobicContact CZ-CG 3.81Å; A991-L1037 HydrophobicContact CB-CD2 3.77Å; L994-L1037 HydrophobicContact CD1-CD2 4.44Å; F1009-L1037 HydrophobicContact CE1-CD1 4.17Å; F1009-L1037 HydrophobicContact CZ-CD1 4.21Å; F1033-L1037 HydrophobicContact CE1-CD2 3.9Å; F1033-L1037 HydrophobicContact CZ-CD2 4.49Å; F1033-L1037 VanDerWaalsContact O-CB 3.25Å; F1033-L1037 WeakPolarHBondContact O-CB 3.13Å; F1033-L1037 PolarHBondContact O-N 2.84Å; T1034-L1037 PolarHBondContact O-N 3.15Å; Q1035-L1037 VanDerWaalsContact C-N 3.31Å; Q1035-L1037 PolarHBondContact O-N 3.18Å; L1037-L1040 HydrophobicContact CD1-CD2 4.2Å; L1037-L1040 PolarHBondContact O-N 3.38Å; L1037-M1041 VanDerWaalsContact O-CG 3.31Å; L1037-M1041 WeakPolarHBondContact O-CG 3.32Å; L1037-M1041 PolarHBondContact O-N 3.48Å |
| 1038 | T | 78 | Confident | 74.9 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 175.9 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | F987 T1034 Q1035 L1040 M1041 Q1042 | F987-T1038 WeakPolarHBondContact CE1-OG1 3.34Å; F987-T1038 WeakPolarHBondContact CZ-OG1 3.48Å; T1034-T1038 PolarHBondContact O-N 3.22Å; T1034-T1038 PolarHBondContact O-OG1 2.78Å; Q1035-T1038 PolarHBondContact O-N 3.12Å; T1038-L1040 VanDerWaalsContact C-N 3.35Å; T1038-M1041 PolarHBondContact O-N 3.08Å; T1038-Q1042 WeakPolarHBondContact O-CG 3.35Å; T1038-Q1042 PolarHBondContact O-N 3.47Å |
| 1039 | Q | 75.3 | Confident | 73.9 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 174.6 | -70.3 | 173.9 | -34.9 | 0 | 0 | 110.3 | T167 Q1035 K1036 M1041 Q1042 D1043 | T167-Q1039 HydrophobicContact CG2-CG 4.41Å; T167-Q1039 WeakPolarHBondContact OG1-CG 3.28Å; Q1035-Q1039 WeakPolarHBondContact O-CG 3.3Å; Q1035-Q1039 PolarHBondContact O-N 3.43Å; K1036-Q1039 PolarHBondContact O-N 3.41Å; Q1039-M1041 VanDerWaalsContact C-N 3.31Å; Q1039-M1041 PolarHBondContact O-N 3.3Å; Q1039-Q1042 PolarHBondContact O-N 3.05Å; Q1039-D1043 WeakPolarHBondContact O-CB 3.45Å; Q1039-D1043 PolarHBondContact O-N 2.83Å |
| 1040 | L | 77 | Confident | 72.5 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.5 | -38.6 | 177.9 | 177.9 | 134.4 | 0 | 0 | 0 | 112.9 | L1014 V1016 L1021 I1024 K1036 L1037 T1038 A1044 | L1014-L1040 HydrophobicContact CD1-CD2 4.02Å; L1014-L1040 HydrophobicContact CD2-CD2 4.37Å; V1016-L1040 HydrophobicContact CB-CD1 4.25Å; V1016-L1040 HydrophobicContact CG1-CD1 4.12Å; V1016-L1040 HydrophobicContact CG2-CD1 3.98Å; V1016-L1040 HydrophobicContact CG2-CG 4.18Å; L1021-L1040 HydrophobicContact CD2-CD1 3.49Å; L1021-L1040 VanDerWaalsContact CD2-CD1 3.49Å; I1024-L1040 HydrophobicContact CD1-CB 4.07Å; I1024-L1040 HydrophobicContact CD1-CD1 3.53Å; I1024-L1040 HydrophobicContact CD1-CG 4.36Å; K1036-L1040 VanDerWaalsContact O-CB 3.31Å; K1036-L1040 WeakPolarHBondContact O-CB 3.48Å; K1036-L1040 PolarHBondContact O-N 2.79Å; L1037-L1040 HydrophobicContact CD1-CD2 4.2Å; L1037-L1040 PolarHBondContact O-N 3.38Å; T1038-L1040 VanDerWaalsContact C-N 3.35Å; L1040-A1044 WeakPolarHBondContact O-CB 3.15Å; L1040-A1044 PolarHBondContact O-N 2.99Å |
| 1041 | M | 74.3 | Confident | 70.9 | Confident | 31 Ų | 31 | 51.2 Ų | 51.2 | 15% | 0.153 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.7 | -40.6 | 176.9 | -67.3 | -75.2 | 71.1 | 0 | 0 | 113.3 | L978 L979 F987 L1014 L1037 T1038 Q1039 D1043 A1044 H1045 | L978-M1041 HydrophobicContact CB-SD 3.93Å; L979-M1041 HydrophobicContact CD2-CE 3.75Å; L979-M1041 HydrophobicContact CD2-SD 4.36Å; F987-M1041 HydrophobicContact CE2-CG 4.08Å; L1014-M1041 HydrophobicContact CD2-CE 3.47Å; L1014-M1041 VanDerWaalsContact CD2-CE 3.47Å; L1037-M1041 VanDerWaalsContact O-CG 3.31Å; L1037-M1041 WeakPolarHBondContact O-CG 3.32Å; L1037-M1041 PolarHBondContact O-N 3.48Å; T1038-M1041 PolarHBondContact O-N 3.08Å; Q1039-M1041 VanDerWaalsContact C-N 3.31Å; Q1039-M1041 PolarHBondContact O-N 3.3Å; M1041-D1043 VanDerWaalsContact C-N 3.33Å; M1041-A1044 HydrophobicContact CE-CB 4.03Å; M1041-H1045 WeakPolarHBondContact O-CB 3.43Å; M1041-H1045 PolarHBondContact O-N 3.46Å |
| 1042 | Q | 71.5 | Confident | 69 | Low | 103 Ų | 103 | 51.1 Ų | 51.1 | 48% | 0.481 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 175.1 | -70.7 | -179.8 | 2.1 | 0 | 0 | 111.3 | T167 T1038 Q1039 C1046 | T167-Q1042 HydrophobicContact CG2-CB 3.81Å; T167-Q1042 HydrophobicContact CG2-CG 4.48Å; T1038-Q1042 WeakPolarHBondContact O-CG 3.35Å; T1038-Q1042 PolarHBondContact O-N 3.47Å; Q1039-Q1042 PolarHBondContact O-N 3.05Å; Q1042-C1046 WeakPolarHBondContact O-CB 3.36Å; Q1042-C1046 PolarHBondContact O-N 2.86Å |
| 1043 | D | 71.3 | Confident | 66.7 | Low | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.16 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.9 | -41.2 | 179.1 | -64.3 | -23.5 | 0 | 0 | 0 | 111.4 | T166 T167 Q1039 M1041 H1045 C1046 V1047 | T166-D1043 VanDerWaalsContact CA-OD1 3.25Å; T166-D1043 WeakPolarHBondContact CA-OD1 3.46Å; T166-D1043 WeakPolarHBondContact CB-OD1 3.34Å; T167-D1043 PolarHBondContact N-OD1 3.22Å; Q1039-D1043 WeakPolarHBondContact O-CB 3.45Å; Q1039-D1043 PolarHBondContact O-N 2.83Å; M1041-D1043 VanDerWaalsContact C-N 3.33Å; D1043-H1045 VanDerWaalsContact C-N 3.32Å; D1043-H1045 PolarHBondContact O-N 3.44Å; D1043-C1046 WeakPolarHBondContact O-CB 3.1Å; D1043-C1046 PolarHBondContact O-N 3.48Å; D1043-C1046 VanDerWaalsContact O-N 3.13Å; D1043-V1047 WeakPolarHBondContact O-CG2 3.47Å; D1043-V1047 PolarHBondContact O-N 3.4Å |
| 1044 | A | 66.8 | Low | 65.9 | Low | 6 Ų | 6 | 54.6 Ų | 54.6 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1014 L1040 M1041 H1048 | L1014-A1044 HydrophobicContact CD2-CB 3.81Å; L1040-A1044 WeakPolarHBondContact O-CB 3.15Å; L1040-A1044 PolarHBondContact O-N 2.99Å; M1041-A1044 HydrophobicContact CE-CB 4.03Å; A1044-H1048 VanDerWaalsContact O-CB 3.31Å; A1044-H1048 WeakPolarHBondContact O-CB 3.44Å; A1044-H1048 PolarHBondContact O-N 2.95Å |
| 1045 | H | 65.3 | Low | 65 | Low | 118 Ų | 118 | 56.3 Ų | 56.3 | 55% | 0.546 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 174.1 | -160.4 | 64.9 | 0 | 0 | 0 | 111.6 | M1041 D1043 L1049 | M1041-H1045 WeakPolarHBondContact O-CB 3.43Å; M1041-H1045 PolarHBondContact O-N 3.46Å; D1043-H1045 VanDerWaalsContact C-N 3.32Å; D1043-H1045 PolarHBondContact O-N 3.44Å; H1045-L1049 WeakPolarHBondContact O-CB 3.45Å; H1045-L1049 WeakPolarHBondContact O-CD1 3.33Å; H1045-L1049 WeakPolarHBondContact O-CG 3.33Å; H1045-L1049 PolarHBondContact O-N 3.06Å; H1045-L1049 VanDerWaalsContact O-N 3.12Å |
| 1046 | C | 62.9 | Low | 64.1 | Low | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | Q1042 D1043 L1049 N1050 | Q1042-C1046 WeakPolarHBondContact O-CB 3.36Å; Q1042-C1046 PolarHBondContact O-N 2.86Å; D1043-C1046 WeakPolarHBondContact O-CB 3.1Å; D1043-C1046 PolarHBondContact O-N 3.48Å; D1043-C1046 VanDerWaalsContact O-N 3.13Å; C1046-L1049 PolarHBondContact O-N 3.3Å; C1046-N1050 VanDerWaalsContact O-CG 3.23Å; C1046-N1050 PolarHBondContact O-N 3.35Å; C1046-N1050 VanDerWaalsContact O-N 3.16Å; C1046-N1050 PolarHBondContact O-ND2 3.13Å |
| 1047 | V | 61.7 | Low | 63.2 | Low | 40 Ų | 40 | 53.2 Ų | 53.2 | 24% | 0.242 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -45.4 | -179.8 | 176.8 | 0 | 0 | 0 | 0 | 111 | P1015 D1043 L1049 N1050 E1051 | P1015-V1047 HydrophobicContact CB-CB 4.38Å; P1015-V1047 HydrophobicContact CB-CG1 3.67Å; P1015-V1047 HydrophobicContact CG-CB 3.85Å; P1015-V1047 HydrophobicContact CG-CG1 3.65Å; D1043-V1047 WeakPolarHBondContact O-CG2 3.47Å; D1043-V1047 PolarHBondContact O-N 3.4Å; V1047-L1049 VanDerWaalsContact C-N 3.26Å; V1047-L1049 PolarHBondContact O-N 3.05Å; V1047-N1050 PolarHBondContact O-N 2.91Å; V1047-E1051 HydrophobicContact CG1-CG 4.12Å; V1047-E1051 WeakPolarHBondContact O-CG 2.78Å; V1047-E1051 PolarHBondContact O-N 3.06Å |
| 1048 | H | 59.2 | Low | 62 | Low | 108 Ų | 108 | 56.6 Ų | 56.6 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56 | -43.1 | 176.6 | -166.7 | 69 | 0 | 0 | 0 | 111.4 | A1044 N1050 E1051 T1052 | A1044-H1048 VanDerWaalsContact O-CB 3.31Å; A1044-H1048 WeakPolarHBondContact O-CB 3.44Å; A1044-H1048 PolarHBondContact O-N 2.95Å; H1048-N1050 VanDerWaalsContact C-N 3.31Å; H1048-N1050 PolarHBondContact O-N 2.77Å; H1048-E1051 PolarHBondContact O-N 3.44Å; H1048-T1052 WeakPolarHBondContact O-CB 3.37Å; H1048-T1052 WeakPolarHBondContact O-CG2 3.42Å; H1048-T1052 PolarHBondContact O-N 3.12Å; H1048-T1052 PolarHBondContact O-OG1 2.79Å |
| 1049 | L | 54.2 | Low | 61 | Low | 45 Ų | 45 | 57.3 Ų | 57.3 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.7 | -21 | 178.1 | -71.5 | 161.8 | 0 | 0 | 0 | 114.6 | R75 H1045 C1046 V1047 | R75-L1049 VanDerWaalsContact NH1-CD1 3.28Å; H1045-L1049 WeakPolarHBondContact O-CB 3.45Å; H1045-L1049 WeakPolarHBondContact O-CD1 3.33Å; H1045-L1049 WeakPolarHBondContact O-CG 3.33Å; H1045-L1049 PolarHBondContact O-N 3.06Å; H1045-L1049 VanDerWaalsContact O-N 3.12Å; C1046-L1049 PolarHBondContact O-N 3.3Å; V1047-L1049 VanDerWaalsContact C-N 3.26Å; V1047-L1049 PolarHBondContact O-N 3.05Å |
| 1050 | N | 52.3 | Low | 60 | Low | 36 Ų | 36 | 58.6 Ų | 58.6 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -88.8 | -22.9 | 174.6 | -66.4 | -21.4 | 0 | 0 | 0 | 112.1 | R75 C1046 V1047 H1048 | R75-N1050 PolarHBondContact O-OD1 2.88Å; C1046-N1050 VanDerWaalsContact O-CG 3.23Å; C1046-N1050 PolarHBondContact O-N 3.35Å; C1046-N1050 VanDerWaalsContact O-N 3.16Å; C1046-N1050 PolarHBondContact O-ND2 3.13Å; V1047-N1050 PolarHBondContact O-N 2.91Å; H1048-N1050 VanDerWaalsContact C-N 3.31Å; H1048-N1050 PolarHBondContact O-N 2.77Å |
| 1051 | E | 48.4 | Very low | 58.6 | Low | 135 Ų | 135 | 62.5 Ų | 62.5 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -92.1 | -30.9 | 179.2 | -71.8 | -178 | 169 | 0 | 0 | 113.6 | V1047 H1048 A1053 | V1047-E1051 HydrophobicContact CG1-CG 4.12Å; V1047-E1051 WeakPolarHBondContact O-CG 2.78Å; V1047-E1051 PolarHBondContact O-N 3.06Å; H1048-E1051 PolarHBondContact O-N 3.44Å; E1051-A1053 PolarHBondContact O-N 3.28Å |
| 1052 | T | 40.5 | Very low | 57.3 | Low | 90 Ų | 90 | 65.2 Ų | 65.2 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | trans | -83.4 | 11.7 | 178 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | H1048 | H1048-T1052 WeakPolarHBondContact O-CB 3.37Å; H1048-T1052 WeakPolarHBondContact O-CG2 3.42Å; H1048-T1052 PolarHBondContact O-N 3.12Å; H1048-T1052 PolarHBondContact O-OG1 2.79Å | ||
| 1053 | A | 34 | Very low | 56 | Low | 67 Ų | 67 | 61.7 Ų | 61.7 | 55% | 0.554 | 34% | 0.336 | S | S | * | . | trans | -105.2 | 0 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1051 | E1051-A1053 PolarHBondContact O-N 3.28Š|
Retrieved 1,053 of 1,053 residues in 1752.2 ms
(Link to these results)