| 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 | 56.3 | Low | 87.3 | Confident | 210 Ų | 210 | 84.3 Ų | 84.3 | 100% | 1.034 | 40% | 0.404 | S | S | * | . | 0 | 131.5 | 0 | -142.3 | 168 | -167.2 | 0 | 0 | 106 | |||||
| 2 | E | 73.3 | Confident | 88 | Confident | 161 Ų | 161 | 85.4 Ų | 85.4 | 75% | 0.752 | 41% | 0.409 | S | S | * | . | trans | -75.1 | 124.8 | 174.6 | -73.9 | -177.4 | 170.1 | 0 | 0 | 108.6 | H4 | E2-H4 IonicContact OE2-CE1 3.9Å; E2-H4 IonicContact OE2-NE2 2.7Å | ||
| 3 | L | 87.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 80.4 Ų | 80.4 | 16% | 0.157 | 39% | 0.387 | C | S | . | . | trans | -85.1 | 123.6 | 178 | -179.4 | 65.4 | 0 | 0 | 0 | 108.2 | L5 I246 V265 F278 | L3-L5 HydrophobicContact CD1-CD2 4.15Å; L3-L5 HydrophobicContact CD1-CG 4.46Å; L3-L5 HydrophobicContact CD2-CD1 4.19Å; L3-L5 HydrophobicContact CD2-CG 4.35Å; L3-L5 HydrophobicContact CG-CD1 4.49Å; L3-L5 HydrophobicContact CG-CD2 4.34Å; L3-L5 HydrophobicContact CG-CG 4.12Å; L3-I246 HydrophobicContact CD2-CG1 4.37Å; L3-I246 HydrophobicContact CD2-CG2 4.07Å; L3-V265 HydrophobicContact CD2-CB 4.34Å; L3-V265 HydrophobicContact CD2-CG1 4.04Å; L3-V265 HydrophobicContact CD2-CG2 4.4Å; L3-F278 HydrophobicContact CB-CB 4.27Å; L3-F278 HydrophobicContact CD2-CB 3.95Å; L3-F278 HydrophobicContact CG-CB 4.32Å; L3-F278 WeakPolarHBondContact O-CD2 3.43Å | ||
| 4 | H | 89.9 | Confident | 89.2 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 59% | 0.593 | 37% | 0.374 | S | S | * | . | trans | -116.6 | 117.9 | 175.2 | -64.4 | -61.9 | 0 | 0 | 0 | 109.4 | E2 | E2-H4 IonicContact OE2-CE1 3.9Å; E2-H4 IonicContact OE2-NE2 2.7Å | ||
| 5 | L | 93.9 | Very high | 89.7 | Confident | 17 Ų | 17 | 72.4 Ų | 72.4 | 9% | 0.089 | 36% | 0.357 | C | S | . | . | trans | -116.9 | 138.5 | 176.3 | -57.8 | 174.7 | 0 | 0 | 0 | 110 | L3 I246 F278 V302 L314 T315 | L3-L5 HydrophobicContact CD1-CD2 4.15Å; L3-L5 HydrophobicContact CD1-CG 4.46Å; L3-L5 HydrophobicContact CD2-CD1 4.19Å; L3-L5 HydrophobicContact CD2-CG 4.35Å; L3-L5 HydrophobicContact CG-CD1 4.49Å; L3-L5 HydrophobicContact CG-CD2 4.34Å; L3-L5 HydrophobicContact CG-CG 4.12Å; L5-I246 HydrophobicContact CD2-CD1 4.44Å; L5-I246 HydrophobicContact CD2-CG1 4.4Å; L5-F278 HydrophobicContact CB-CE1 4.42Å; L5-F278 HydrophobicContact CB-CE2 3.91Å; L5-F278 HydrophobicContact CB-CZ 3.84Å; L5-F278 HydrophobicContact CD1-CD1 4.07Å; L5-F278 HydrophobicContact CD1-CE1 4.07Å; L5-F278 HydrophobicContact CD1-CG 4.32Å; L5-F278 HydrophobicContact CD1-CZ 4.31Å; L5-F278 HydrophobicContact CG-CD2 4.45Å; L5-F278 HydrophobicContact CG-CE2 4.32Å; L5-F278 HydrophobicContact CG-CZ 4.4Å; L5-V302 HydrophobicContact CD1-CB 4.46Å; L5-V302 HydrophobicContact CD1-CG2 3.94Å; L5-L314 HydrophobicContact CB-CB 3.84Å; L5-L314 HydrophobicContact CD1-CB 4Å; L5-T315 CarbonylContact C-O 3.6Å; L5-T315 WeakPolarHBondContact CA-O 3.3Å | ||
| 6 | H | 92.8 | Very high | 90.2 | Very high | 65 Ų | 65 | 67.9 Ų | 67.9 | 30% | 0.301 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.6 | 179.7 | -64 | -76 | 0 | 0 | 0 | 111.1 | L314 T315 E317 Q319 | H6-L314 CarbonylContact O-C 3.52Å; H6-L314 WeakPolarHBondContact O-CA 3.25Å; H6-T315 HydrophobicContact CB-CG2 4.33Å; H6-T315 PolarHBondContact N-O 3.39Å; H6-T315 PolarHBondContact O-N 3.04Å; H6-E317 PolarHBondContact CD2-O 2.9Å; H6-E317 VanDerWaalsContact CD2-O 3.24Å; H6-Q319 HydrophobicContact CB-CG 3.95Å |
| 7 | R | 93.4 | Very high | 90.6 | Very high | 101 Ų | 101 | 64.9 Ų | 64.9 | 38% | 0.381 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 132 | 177.7 | -179.7 | 174 | 167.6 | 178.5 | -6.9 | 111.6 | D9 T312 G313 L314 | R7-D9 IonicContact CZ-OD1 2.7Å; R7-D9 IonicContact CZ-OD2 2.85Å; R7-D9 IonicContact NE-OD1 2.68Å; R7-D9 PolarHBondContact NE-OD1 3.07Å; R7-D9 IonicContact NE-OD2 3.26Å; R7-D9 PolarHBondContact NE-OD2 3.06Å; R7-D9 IonicContact NH2-OD1 3.33Å; R7-D9 PolarHBondContact NH2-OD1 3.4Å; R7-D9 IonicContact NH2-OD2 3.7Å; R7-D9 PolarHBondContact NH2-OD2 3.11Å; R7-T312 HydrophobicContact CG-CG2 3.58Å; R7-G313 CarbonylContact C-O 3.57Å; R7-G313 WeakPolarHBondContact CA-O 3.29Å; R7-L314 HydrophobicContact CB-CD2 4.08Å |
| 8 | L | 91.7 | Very high | 91 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.3 | 171.4 | -169.8 | 98 | 0 | 0 | 0 | 109.5 | Y10 T312 G313 | L8-Y10 HydrophobicContact CD2-CD1 3.88Å; L8-Y10 HydrophobicContact CD2-CE1 3.27Å; L8-Y10 HydrophobicContact CD2-CE2 4.48Å; L8-T312 CarbonylContact O-C 3.53Å; L8-T312 WeakPolarHBondContact O-CA 3.46Å; L8-G313 PolarHBondContact N-O 2.86Å; L8-G313 PolarHBondContact O-N 3.42Å |
| 9 | D | 92.6 | Very high | 91.4 | Very high | 70 Ų | 70 | 61.4 Ų | 61.4 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.1 | 177.4 | -63.1 | -29.2 | 0 | 0 | 0 | 110.2 | R7 W310 T312 | R7-D9 IonicContact CZ-OD1 2.7Å; R7-D9 IonicContact CZ-OD2 2.85Å; R7-D9 IonicContact NE-OD1 2.68Å; R7-D9 PolarHBondContact NE-OD1 3.07Å; R7-D9 IonicContact NE-OD2 3.26Å; R7-D9 PolarHBondContact NE-OD2 3.06Å; R7-D9 IonicContact NH2-OD1 3.33Å; R7-D9 PolarHBondContact NH2-OD1 3.4Å; R7-D9 IonicContact NH2-OD2 3.7Å; R7-D9 PolarHBondContact NH2-OD2 3.11Å; D9-W310 HydrophobicContact CB-CE3 4.39Å; D9-W310 HydrophobicContact CB-CZ3 4.35Å; D9-T312 WeakPolarHBondContact OD1-CB 3.33Å; D9-T312 WeakPolarHBondContact OD1-CG2 3.47Å; D9-T312 PolarHBondContact OD1-OG1 2.8Å |
| 10 | Y | 93.8 | Very high | 91.7 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -57.4 | -174.9 | -70.2 | -64.5 | 0 | 0 | 0 | 113 | L8 M49 G295 E301 L303 V311 | L8-Y10 HydrophobicContact CD2-CD1 3.88Å; L8-Y10 HydrophobicContact CD2-CE1 3.27Å; L8-Y10 HydrophobicContact CD2-CE2 4.48Å; Y10-M49 HydrophobicContact CD1-CE 3.71Å; Y10-M49 HydrophobicContact CD1-SD 3.51Å; Y10-M49 VanDerWaalsContact CD1-SD 3.51Å; Y10-M49 HydrophobicContact CE1-CE 3.78Å; Y10-M49 HydrophobicContact CE1-CG 4.25Å; Y10-M49 HydrophobicContact CE1-SD 3.76Å; Y10-G295 WeakPolarHBondContact OH-CA 3.1Å; Y10-G295 PolarHBondContact OH-N 3.33Å; Y10-E301 VanDerWaalsContact OH-CD 3.31Å; Y10-E301 PolarHBondContact OH-OE1 3.5Å; Y10-E301 PolarHBondContact OH-OE2 3.1Å; Y10-L303 HydrophobicContact CD2-CD1 3.69Å; Y10-L303 HydrophobicContact CE2-CD1 3.54Å; Y10-V311 WeakPolarHBondContact CB-O 3.22Å; Y10-V311 HydrophobicContact CD2-CG1 4.39Å; Y10-V311 PolarHBondContact N-O 3.02Å |
| 11 | T | 94.9 | Very high | 92 | Very high | 47 Ų | 47 | 55.6 Ų | 55.6 | 29% | 0.288 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 163.4 | -176.7 | -164.4 | 0 | 0 | 0 | 0 | 109.8 | F47 V311 | T11-F47 HydrophobicContact CG2-CD1 4.01Å; T11-F47 HydrophobicContact CG2-CE1 3.56Å; T11-F47 HydrophobicContact CG2-CZ 3.89Å; T11-V311 HydrophobicContact CG2-CB 4.23Å; T11-V311 HydrophobicContact CG2-CG2 4.17Å; T11-V311 PolarHBondContact O-N 3.2Å |
| 12 | Q | 95.4 | Very high | 94 | Very high | 98 Ų | 98 | 46.8 Ų | 46.8 | 46% | 0.458 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.6 | 172.2 | -166.2 | -176.5 | 11.6 | 0 | 0 | 109.1 | T308 G309 W310 | Q12-T308 PolarHBondContact NE2-O 3.07Å; Q12-G309 CarbonylContact C-O 3.54Å; Q12-G309 WeakPolarHBondContact CA-O 2.96Å; Q12-W310 HydrophobicContact CB-CD2 4.11Å; Q12-W310 HydrophobicContact CB-CE3 4.04Å; Q12-W310 HydrophobicContact CB-CH2 4.36Å; Q12-W310 HydrophobicContact CB-CZ2 4.42Å; Q12-W310 HydrophobicContact CB-CZ3 4.17Å; Q12-W310 VanDerWaalsContact CD-CE2 3.46Å; Q12-W310 HydrophobicContact CG-CD2 3.95Å; Q12-W310 HydrophobicContact CG-CE3 4.4Å; Q12-W310 HydrophobicContact CG-CG 4.19Å; Q12-W310 HydrophobicContact CG-CZ2 4.38Å |
| 13 | V | 96.6 | Very high | 95.1 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | trans | -104 | -173.7 | 172.3 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | T16 I37 G309 | V13-T16 HydrophobicContact CG2-CG2 3.95Å; V13-I37 HydrophobicContact CG1-CG2 3.81Å; V13-I37 HydrophobicContact CG2-CD1 3.69Å; V13-I37 HydrophobicContact CG2-CG1 4.06Å; V13-I37 HydrophobicContact CG2-CG2 4.24Å; V13-G309 WeakPolarHBondContact CG2-O 3.31Å; V13-G309 PolarHBondContact N-O 2.78Å | ||
| 14 | G | 95.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 21% | 0.206 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -66.6 | -179.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T16 D39 G309 | G14-T16 WeakPolarHBondContact O-CG2 3.21Å; G14-T16 PolarHBondContact O-N 3.39Å; G14-D39 PolarHBondContact N-OD2 2.67Å; G14-G309 WeakPolarHBondContact O-CA 3.42Å |
| 15 | V | 97.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 13% | 0.127 | 18% | 0.176 | C | C | . | . | trans | -58.4 | 135.3 | 179.1 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | D39 H40 Y307 P398 | V15-D39 CarbonylContact O-C 3.59Å; V15-D39 VanDerWaalsContact O-CA 3.26Å; V15-D39 WeakPolarHBondContact O-CA 3.32Å; V15-D39 WeakPolarHBondContact O-CB 3.32Å; V15-H40 HydrophobicContact CB-CB 4.23Å; V15-H40 WeakPolarHBondContact CG1-CE1 3.45Å; V15-H40 VanDerWaalsContact CG1-ND1 3.33Å; V15-H40 WeakPolarHBondContact CG1-ND1 3.38Å; V15-H40 PolarHBondContact O-CD2 3.28Å; V15-H40 VanDerWaalsContact O-CG 3.27Å; V15-H40 PolarHBondContact O-N 3.38Å; V15-Y307 CarbonylContact C-O 3.56Å; V15-Y307 VanDerWaalsContact CA-O 3.22Å; V15-Y307 WeakPolarHBondContact CA-O 3.38Å; V15-Y307 HydrophobicContact CG1-CD1 4.36Å; V15-Y307 HydrophobicContact CG1-CD2 3.71Å; V15-Y307 HydrophobicContact CG1-CE1 4.03Å; V15-Y307 HydrophobicContact CG1-CE2 3.28Å; V15-Y307 HydrophobicContact CG1-CG 4.24Å; V15-Y307 VanDerWaalsContact CG1-CZ 3.47Å; V15-Y307 VanDerWaalsContact CG1-O 3.28Å; V15-Y307 WeakPolarHBondContact CG1-O 3.26Å; V15-P398 HydrophobicContact CG1-CG 4.46Å; V15-P398 HydrophobicContact CG2-CB 3.64Å; V15-P398 HydrophobicContact CG2-CG 3.34Å | ||
| 16 | T | 97.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | trans | -109.4 | 150.3 | -174.9 | 64.9 | 0 | 0 | 0 | 0 | 112.5 | V13 G14 I37 H40 T287 T306 Y307 | V13-T16 HydrophobicContact CG2-CG2 3.95Å; G14-T16 WeakPolarHBondContact O-CG2 3.21Å; G14-T16 PolarHBondContact O-N 3.39Å; T16-I37 HydrophobicContact CG2-CD1 4.08Å; T16-I37 HydrophobicContact CG2-CG1 4.32Å; T16-H40 VanDerWaalsContact C-NE2 3.32Å; T16-H40 PolarHBondContact O-NE2 2.79Å; T16-T287 WeakPolarHBondContact OG1-CG2 3.41Å; T16-T287 PolarHBondContact OG1-OG1 3.17Å; T16-T306 PolarHBondContact OG1-O 2.82Å; T16-Y307 PolarHBondContact N-O 3.44Å | ||
| 17 | S | 97.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | trans | -94.8 | 169.2 | 169.1 | -73.6 | 0 | 0 | 0 | 0 | 110.5 | T20 H40 K65 V66 A67 T287 | S17-T20 WeakPolarHBondContact O-CG2 3.23Å; S17-T20 PolarHBondContact O-N 2.72Å; S17-T20 PolarHBondContact O-OG1 3.16Å; S17-T20 VanDerWaalsContact O-OG1 3.06Å; S17-H40 PolarHBondContact N-NE2 3.01Å; S17-H40 PolarHBondContact OG-CD2 3.23Å; S17-H40 PolarHBondContact OG-NE2 2.81Å; S17-K65 WeakPolarHBondContact OG-CE 3.39Å; S17-V66 PolarHBondContact OG-O 2.98Å; S17-A67 WeakPolarHBondContact CB-O 3.28Å; S17-T287 WeakPolarHBondContact O-CB 3.21Å | ||
| 18 | Q | 97.2 | Very high | 92.3 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 136 | 178.7 | -165.5 | -166.6 | -4.8 | 0 | 0 | 111.6 | T20 R68 S191 L239 T287 | Q18-T20 PolarHBondContact O-N 2.6Å; Q18-R68 VanDerWaalsContact O-CD 3.24Å; Q18-R68 WeakPolarHBondContact O-CD 3.48Å; Q18-R68 PolarHBondContact O-NH1 2.97Å; Q18-R68 VanDerWaalsContact OE1-NH2 3.07Å; Q18-S191 PolarHBondContact NE2-O 3.49Å; Q18-L239 HydrophobicContact CG-CB 4.32Å; Q18-L239 WeakPolarHBondContact CG-O 3.49Å; Q18-L239 PolarHBondContact NE2-O 3.16Å; Q18-T287 CarbonylContact C-O 3.54Å; Q18-T287 WeakPolarHBondContact CA-O 3.4Å |
| 19 | K | 97.8 | Very high | 90.8 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.078 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 49 | -176.6 | -51.9 | 174.7 | 83.2 | 169 | 0 | 113.5 | M69 D149 V192 L193 E194 T287 S288 | K19-M69 PolarHBondContact O-N 3Å; K19-M69 VanDerWaalsContact O-N 3.16Å; K19-D149 IonicContact NZ-OD2 3.88Å; K19-V192 HydrophobicContact CD-CG2 3.89Å; K19-L193 PolarHBondContact NZ-O 3.22Å; K19-E194 IonicContact NZ-OE2 3.5Å; K19-E194 PolarHBondContact NZ-OE2 2.99Å; K19-T287 PolarHBondContact N-O 3.36Å; K19-S288 VanDerWaalsContact CA-OG 3.29Å; K19-S288 WeakPolarHBondContact CA-OG 3.43Å; K19-S288 PolarHBondContact N-OG 2.93Å |
| 20 | T | 98.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -103.1 | 11.3 | 171.5 | 65.6 | 0 | 0 | 0 | 0 | 114.4 | S17 Q18 I37 A38 V66 M69 S288 | S17-T20 WeakPolarHBondContact O-CG2 3.23Å; S17-T20 PolarHBondContact O-N 2.72Å; S17-T20 PolarHBondContact O-OG1 3.16Å; S17-T20 VanDerWaalsContact O-OG1 3.06Å; Q18-T20 PolarHBondContact O-N 2.6Å; T20-I37 WeakPolarHBondContact O-CA 3.49Å; T20-A38 WeakPolarHBondContact CB-O 3.42Å; T20-A38 PolarHBondContact O-N 3.35Å; T20-A38 PolarHBondContact OG1-O 3.29Å; T20-V66 HydrophobicContact CG2-CG1 4.28Å; T20-M69 WeakPolarHBondContact O-CE 3.33Å; T20-S288 PolarHBondContact N-OG 3.31Å | ||
| 21 | M | 98.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136 | 171.3 | -175.2 | -157.5 | 72.6 | 0 | 0 | 110.8 | V35 A36 I37 S288 Q290 L303 A305 V311 | M21-V35 HydrophobicContact CG-CG1 3.75Å; M21-V35 HydrophobicContact SD-CG1 4.13Å; M21-A36 CarbonylContact C-O 3.56Å; M21-A36 VanDerWaalsContact CA-O 3.3Å; M21-A36 WeakPolarHBondContact CA-O 3.24Å; M21-I37 HydrophobicContact CB-CB 4.42Å; M21-I37 HydrophobicContact CB-CD1 4.19Å; M21-I37 HydrophobicContact CB-CG1 4.12Å; M21-I37 HydrophobicContact CG-CB 4.32Å; M21-I37 HydrophobicContact CG-CD1 4.31Å; M21-I37 HydrophobicContact CG-CG1 4.42Å; M21-S288 PolarHBondContact N-OG 3.12Å; M21-Q290 HydrophobicContact CE-CB 3.9Å; M21-Q290 HydrophobicContact CE-CG 3.83Å; M21-L303 HydrophobicContact CE-CB 4.28Å; M21-L303 HydrophobicContact CE-CD2 3.83Å; M21-L303 HydrophobicContact CE-CG 3.98Å; M21-L303 HydrophobicContact SD-CD2 3.46Å; M21-L303 WeakPolarHBondContact SD-CD2 3.45Å; M21-L303 HydrophobicContact SD-CG 3.76Å; M21-A305 HydrophobicContact CB-CB 4.14Å; M21-A305 HydrophobicContact SD-CB 4.02Å; M21-V311 HydrophobicContact SD-CG1 4.42Å |
| 22 | R | 97.6 | Very high | 88.8 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 149.8 | 173.6 | -67.2 | -64.6 | -164.1 | 173.2 | 11.8 | 111.5 | A36 M69 D70 L71 | R22-A36 PolarHBondContact N-O 3.23Å; R22-A36 PolarHBondContact O-N 2.77Å; R22-M69 HydrophobicContact CB-SD 4.24Å; R22-M69 HydrophobicContact CG-CG 4.21Å; R22-M69 HydrophobicContact CG-SD 4.27Å; R22-D70 IonicContact CZ-OD1 3.67Å; R22-D70 IonicContact NE-OD1 3.21Å; R22-D70 PolarHBondContact NE-OD1 3.25Å; R22-D70 IonicContact NH2-OD1 3.36Å; R22-D70 PolarHBondContact NH2-OD1 3.29Å; R22-L71 HydrophobicContact CB-CD1 3.9Å; R22-L71 HydrophobicContact CB-CD2 4Å; R22-L71 HydrophobicContact CB-CG 3.71Å; R22-L71 HydrophobicContact CG-CG 4.04Å |
| 23 | L | 96.3 | Very high | 88.7 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122.9 | 171.9 | -72 | -177.9 | 0 | 0 | 0 | 110.4 | Q33 V35 L71 Q290 V294 L303 | L23-Q33 HydrophobicContact CD2-CB 4.5Å; L23-V35 HydrophobicContact CD2-CB 4.45Å; L23-V35 HydrophobicContact CD2-CG2 3.81Å; L23-L71 WeakPolarHBondContact O-CD1 3.1Å; L23-Q290 HydrophobicContact CD1-CB 3.78Å; L23-Q290 HydrophobicContact CG-CB 3.85Å; L23-Q290 HydrophobicContact CG-CG 4.31Å; L23-V294 HydrophobicContact CD2-CG2 3.63Å; L23-L303 HydrophobicContact CD2-CD2 3.6Å; L23-L303 HydrophobicContact CG-CD2 4.3Å |
| 24 | L | 95.2 | Very high | 88.7 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 140 | 172.6 | -66.3 | 177.1 | 0 | 0 | 0 | 110 | Q33 K34 L71 I82 K95 | L24-Q33 WeakPolarHBondContact O-CB 3.39Å; L24-Q33 WeakPolarHBondContact O-CG 3.4Å; L24-Q33 PolarHBondContact O-NE2 3.13Å; L24-K34 HydrophobicContact CB-CB 4.3Å; L24-K34 HydrophobicContact CD1-CB 4Å; L24-K34 PolarHBondContact N-O 3.07Å; L24-L71 HydrophobicContact CD2-CD1 4.24Å; L24-L71 HydrophobicContact CD2-CD2 3.84Å; L24-I82 HydrophobicContact CD1-CD1 4.5Å; L24-I82 HydrophobicContact CD2-CD1 4.22Å; L24-I82 HydrophobicContact CD2-CG1 3.92Å; L24-K95 HydrophobicContact CD1-CB 3.97Å |
| 25 | P | 89.9 | Confident | 88.8 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -54.7 | 140.7 | 178.7 | -26.3 | 33.3 | 0 | 0 | 0 | 112.8 | P78 Q79 E80 | P25-P78 HydrophobicContact CB-CB 4.22Å; P25-P78 HydrophobicContact CG-CB 4.35Å; P25-Q79 WeakPolarHBondContact CD-O 3.26Å; P25-Q79 VanDerWaalsContact CG-O 3.32Å; P25-Q79 WeakPolarHBondContact CG-O 3.12Å; P25-E80 HydrophobicContact CG-CG 4.49Å |
| 26 | A | 81.8 | Confident | 88.8 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -69.4 | 146.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G28 S31 Q33 | A26-G28 WeakPolarHBondContact CB-O 3.46Å; A26-G28 PolarHBondContact O-N 2.75Å; A26-S31 WeakPolarHBondContact CB-OG 3.31Å; A26-Q33 HydrophobicContact CB-CG 3.86Å |
| 27 | L | 69.9 | Low | 88.9 | Confident | 152 Ų | 152 | 44.3 Ų | 44.3 | 80% | 0.796 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -85.4 | 10.9 | 175.1 | -72 | 166.4 | 0 | 0 | 0 | 112.9 | ||
| 28 | G | 62.7 | Low | 88.9 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 40% | 0.402 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -176.6 | 166.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A26 K30 S31 | A26-G28 WeakPolarHBondContact CB-O 3.46Å; A26-G28 PolarHBondContact O-N 2.75Å; G28-K30 PolarHBondContact O-N 3.12Å; G28-S31 PolarHBondContact O-OG 3.47Å |
| 29 | K | 59.7 | Low | 88.9 | Confident | 213 Ų | 213 | 41.7 Ų | 41.7 | 93% | 0.926 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 124.4 | 174.7 | -71 | -171.7 | 177.1 | -171.3 | 0 | 109.1 | S31 | K29-S31 VanDerWaalsContact C-N 3.35Å; K29-S31 PolarHBondContact O-N 2.62Å |
| 30 | K | 64.1 | Low | 88.9 | Confident | 127 Ų | 127 | 42.5 Ų | 42.5 | 55% | 0.552 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 16.4 | 174.4 | -55 | -169 | 172.7 | -157.1 | 0 | 117.2 | G28 S298 | G28-K30 PolarHBondContact O-N 3.12Å; K30-S298 PolarHBondContact O-N 3.47Å; K30-S298 VanDerWaalsContact O-N 3.13Å |
| 31 | S | 83.6 | Confident | 88.8 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 21% | 0.21 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -80.4 | 149.1 | 170.8 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | A26 G28 K29 Q33 | A26-S31 WeakPolarHBondContact CB-OG 3.31Å; G28-S31 PolarHBondContact O-OG 3.47Å; K29-S31 VanDerWaalsContact C-N 3.35Å; K29-S31 PolarHBondContact O-N 2.62Å; S31-Q33 PolarHBondContact O-N 3.08Å |
| 32 | T | 91.2 | Very high | 88.7 | Confident | 45 Ų | 45 | 47.2 Ų | 47.2 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 128.2 | 174.7 | 56 | 0 | 0 | 0 | 0 | 111.5 | C293 V294 E297 | T32-C293 CarbonylContact C-O 3.58Å; T32-C293 WeakPolarHBondContact CA-O 3.39Å; T32-V294 VanDerWaalsContact CG2-O 3.28Å; T32-V294 WeakPolarHBondContact CG2-O 3.34Å; T32-E297 HydrophobicContact CG2-CG 3.81Å |
| 33 | Q | 94.9 | Very high | 88.7 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -80.4 | 169.6 | 173 | -67.6 | 174.2 | -77.5 | 0 | 0 | 111 | L23 L24 A26 S31 G292 C293 | L23-Q33 HydrophobicContact CD2-CB 4.5Å; L24-Q33 WeakPolarHBondContact O-CB 3.39Å; L24-Q33 WeakPolarHBondContact O-CG 3.4Å; L24-Q33 PolarHBondContact O-NE2 3.13Å; A26-Q33 HydrophobicContact CB-CG 3.86Å; S31-Q33 PolarHBondContact O-N 3.08Å; Q33-G292 VanDerWaalsContact OE1-CA 3.27Å; Q33-C293 PolarHBondContact N-O 2.92Å; Q33-C293 VanDerWaalsContact OE1-N 3.1Å |
| 34 | K | 95.9 | Very high | 88.8 | Confident | 86 Ų | 86 | 46 Ų | 46 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 141.5 | 173.9 | -70.2 | 174.9 | 175.6 | -173.5 | 0 | 109.1 | L24 F47 V57 | L24-K34 HydrophobicContact CB-CB 4.3Å; L24-K34 HydrophobicContact CD1-CB 4Å; L24-K34 PolarHBondContact N-O 3.07Å; K34-F47 WeakPolarHBondContact CA-O 2.87Å; K34-F47 WeakPolarHBondContact CB-O 3.3Å; K34-V57 HydrophobicContact CD-CG2 4.04Å |
| 35 | V | 97.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 130 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | M21 L23 C46 F47 V294 L303 V311 | M21-V35 HydrophobicContact CG-CG1 3.75Å; M21-V35 HydrophobicContact SD-CG1 4.13Å; L23-V35 HydrophobicContact CD2-CB 4.45Å; L23-V35 HydrophobicContact CD2-CG2 3.81Å; V35-C46 CarbonylContact O-C 3.54Å; V35-C46 WeakPolarHBondContact O-CA 3.43Å; V35-C46 PolarHBondContact O-SG 2.7Å; V35-F47 HydrophobicContact CB-CD1 4.05Å; V35-F47 HydrophobicContact CB-CE1 3.55Å; V35-F47 HydrophobicContact CB-CE2 4.07Å; V35-F47 HydrophobicContact CB-CZ 3.57Å; V35-F47 HydrophobicContact CG1-CE1 3.77Å; V35-F47 HydrophobicContact CG1-CZ 3.97Å; V35-F47 HydrophobicContact CG2-CE1 4.13Å; V35-F47 HydrophobicContact CG2-CE2 3.82Å; V35-F47 HydrophobicContact CG2-CZ 3.58Å; V35-F47 PolarHBondContact N-O 3.08Å; V35-F47 PolarHBondContact O-N 3.48Å; V35-V294 HydrophobicContact CG2-CG1 3.73Å; V35-V294 HydrophobicContact CG2-CG2 3.99Å; V35-L303 HydrophobicContact CB-CD2 4.35Å; V35-L303 HydrophobicContact CG1-CD2 3.81Å; V35-L303 HydrophobicContact CG2-CD2 3.57Å; V35-V311 HydrophobicContact CG1-CG1 4.48Å |
| 36 | A | 98.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 129.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | M21 R22 T45 M69 I82 | M21-A36 CarbonylContact C-O 3.56Å; M21-A36 VanDerWaalsContact CA-O 3.3Å; M21-A36 WeakPolarHBondContact CA-O 3.24Å; R22-A36 PolarHBondContact N-O 3.23Å; R22-A36 PolarHBondContact O-N 2.77Å; A36-T45 WeakPolarHBondContact CA-O 3.45Å; A36-M69 HydrophobicContact CB-CE 4.48Å; A36-M69 HydrophobicContact CB-SD 3.94Å; A36-I82 HydrophobicContact CB-CD1 3.75Å; A36-I82 HydrophobicContact CB-CG1 4.19Å |
| 37 | I | 98.5 | Very high | 90 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.4 | -179.7 | -169.4 | 164.8 | 0 | 0 | 0 | 110.4 | V13 T16 T20 M21 T45 A305 V311 | V13-I37 HydrophobicContact CG1-CG2 3.81Å; V13-I37 HydrophobicContact CG2-CD1 3.69Å; V13-I37 HydrophobicContact CG2-CG1 4.06Å; V13-I37 HydrophobicContact CG2-CG2 4.24Å; T16-I37 HydrophobicContact CG2-CD1 4.08Å; T16-I37 HydrophobicContact CG2-CG1 4.32Å; T20-I37 WeakPolarHBondContact O-CA 3.49Å; M21-I37 HydrophobicContact CB-CB 4.42Å; M21-I37 HydrophobicContact CB-CD1 4.19Å; M21-I37 HydrophobicContact CB-CG1 4.12Å; M21-I37 HydrophobicContact CG-CB 4.32Å; M21-I37 HydrophobicContact CG-CD1 4.31Å; M21-I37 HydrophobicContact CG-CG1 4.42Å; I37-T45 PolarHBondContact N-O 3.2Å; I37-T45 PolarHBondContact O-N 3.47Å; I37-A305 HydrophobicContact CD1-CB 3.83Å; I37-V311 HydrophobicContact CD1-CG2 3.44Å; I37-V311 VanDerWaalsContact CD1-CG2 3.44Å |
| 38 | A | 98.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | T20 V43 V44 V66 M69 V84 | T20-A38 WeakPolarHBondContact CB-O 3.42Å; T20-A38 PolarHBondContact O-N 3.35Å; T20-A38 PolarHBondContact OG1-O 3.29Å; A38-V43 VanDerWaalsContact CA-O 3.3Å; A38-V43 WeakPolarHBondContact CA-O 3.14Å; A38-V44 HydrophobicContact CB-CG2 4.09Å; A38-V66 HydrophobicContact CB-CB 3.8Å; A38-V66 HydrophobicContact CB-CG1 3.67Å; A38-V66 HydrophobicContact CB-CG2 3.84Å; A38-M69 HydrophobicContact CB-CE 3.53Å; A38-V84 HydrophobicContact CB-CG1 4.44Å |
| 39 | D | 97.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | trans | -121.3 | 176.9 | -172.1 | 62.9 | 33.1 | 0 | 0 | 0 | 114.2 | G14 V15 D41 G42 V43 V66 | G14-D39 PolarHBondContact N-OD2 2.67Å; V15-D39 CarbonylContact O-C 3.59Å; V15-D39 VanDerWaalsContact O-CA 3.26Å; V15-D39 WeakPolarHBondContact O-CA 3.32Å; V15-D39 WeakPolarHBondContact O-CB 3.32Å; D39-D41 PolarHBondContact O-N 3.03Å; D39-D41 WeakPolarHBondContact OD1-CA 3.4Å; D39-D41 WeakPolarHBondContact OD1-CB 3.49Å; D39-D41 PolarHBondContact OD1-N 3.33Å; D39-G42 PolarHBondContact O-N 3.34Å; D39-G42 VanDerWaalsContact O-N 3.15Å; D39-G42 PolarHBondContact OD1-N 3.34Å; D39-V43 PolarHBondContact N-O 2.9Å; D39-V43 WeakPolarHBondContact OD1-CB 3.43Å; D39-V43 PolarHBondContact OD1-N 3.43Å; D39-V66 PolarHBondContact O-N 2.92Å; D39-V66 VanDerWaalsContact O-N 3.16Å | ||
| 40 | H | 96.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 31.9 Ų | 31.9 | 16% | 0.157 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -14.3 | 179.9 | -70.3 | -175.6 | 0 | 0 | 0 | 113.9 | V15 T16 S17 G42 K65 | V15-H40 HydrophobicContact CB-CB 4.23Å; V15-H40 WeakPolarHBondContact CG1-CE1 3.45Å; V15-H40 VanDerWaalsContact CG1-ND1 3.33Å; V15-H40 WeakPolarHBondContact CG1-ND1 3.38Å; V15-H40 PolarHBondContact O-CD2 3.28Å; V15-H40 VanDerWaalsContact O-CG 3.27Å; V15-H40 PolarHBondContact O-N 3.38Å; T16-H40 VanDerWaalsContact C-NE2 3.32Å; T16-H40 PolarHBondContact O-NE2 2.79Å; S17-H40 PolarHBondContact N-NE2 3.01Å; S17-H40 PolarHBondContact OG-CD2 3.23Å; S17-H40 PolarHBondContact OG-NE2 2.81Å; H40-G42 PolarHBondContact O-N 2.93Å; H40-K65 HydrophobicContact CB-CG 4.18Å; H40-K65 VanDerWaalsContact NE2-CE 3.27Å; H40-K65 WeakPolarHBondContact NE2-CE 3.31Å; H40-K65 VanDerWaalsContact O-CA 3.25Å; H40-K65 WeakPolarHBondContact O-CA 3.26Å |
| 41 | D | 96.1 | Very high | 95 | Very high | 102 Ų | 102 | 35.7 Ų | 35.7 | 55% | 0.545 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 5.9 | 171.8 | -62.5 | -39.5 | 0 | 0 | 0 | 111.4 | D39 V43 P62 G63 | D39-D41 PolarHBondContact O-N 3.03Å; D39-D41 WeakPolarHBondContact OD1-CA 3.4Å; D39-D41 WeakPolarHBondContact OD1-CB 3.49Å; D39-D41 PolarHBondContact OD1-N 3.33Å; D41-V43 HydrophobicContact CB-CG2 4.25Å; D41-V43 PolarHBondContact O-N 2.95Å; D41-P62 CarbonylContact O-C 3.59Å; D41-P62 VanDerWaalsContact O-CA 3.25Å; D41-P62 WeakPolarHBondContact O-CA 3.44Å; D41-P62 WeakPolarHBondContact O-CB 3.48Å; D41-G63 CarbonylContact C-O 3.58Å; D41-G63 PolarHBondContact O-N 2.83Å; D41-G63 VanDerWaalsContact O-O 3.08Å |
| 42 | G | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 76.6 | 11.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D39 H40 A64 | D39-G42 PolarHBondContact O-N 3.34Å; D39-G42 VanDerWaalsContact O-N 3.15Å; D39-G42 PolarHBondContact OD1-N 3.34Å; H40-G42 PolarHBondContact O-N 2.93Å; G42-A64 WeakPolarHBondContact CA-O 3.49Å |
| 43 | V | 97.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | trans | -89.7 | 126.5 | -176.3 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | A38 D39 D41 K59 P62 | A38-V43 VanDerWaalsContact CA-O 3.3Å; A38-V43 WeakPolarHBondContact CA-O 3.14Å; D39-V43 PolarHBondContact N-O 2.9Å; D39-V43 WeakPolarHBondContact OD1-CB 3.43Å; D39-V43 PolarHBondContact OD1-N 3.43Å; D41-V43 HydrophobicContact CB-CG2 4.25Å; D41-V43 PolarHBondContact O-N 2.95Å; V43-K59 HydrophobicContact CG1-CD 4.15Å; V43-K59 VanDerWaalsContact CG1-CE 3.48Å; V43-K59 HydrophobicContact CG1-CG 3.51Å; V43-P62 HydrophobicContact CG2-CB 4.12Å; V43-P62 HydrophobicContact CG2-CG 3.98Å | ||
| 44 | V | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 118.8 | 170.5 | -173.5 | 0 | 0 | 0 | 0 | 108 | A38 F58 K59 T60 M69 V84 F93 | A38-V44 HydrophobicContact CB-CG2 4.09Å; V44-F58 HydrophobicContact CB-CE2 4.45Å; V44-F58 HydrophobicContact CG1-CE2 4.11Å; V44-F58 HydrophobicContact CG1-CZ 4.32Å; V44-K59 WeakPolarHBondContact O-CA 3.43Å; V44-T60 HydrophobicContact CB-CG2 4Å; V44-T60 PolarHBondContact N-OG1 3.31Å; V44-T60 PolarHBondContact O-N 2.58Å; V44-M69 HydrophobicContact CG1-CE 4.09Å; V44-V84 HydrophobicContact CG2-CG1 4.01Å; V44-V84 HydrophobicContact CG2-CG2 4.1Å; V44-F93 HydrophobicContact CG2-CE2 4.25Å |
| 45 | T | 98 | Very high | 94.4 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.8 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 108.9 | A36 I37 | A36-T45 WeakPolarHBondContact CA-O 3.45Å; I37-T45 PolarHBondContact N-O 3.2Å; I37-T45 PolarHBondContact O-N 3.47Å |
| 46 | C | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.4 | 165.7 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | V35 P56 V57 F58 | V35-C46 CarbonylContact O-C 3.54Å; V35-C46 WeakPolarHBondContact O-CA 3.43Å; V35-C46 PolarHBondContact O-SG 2.7Å; C46-P56 CarbonylContact O-C 3.37Å; C46-V57 HydrophobicContact CB-CB 4.49Å; C46-V57 WeakPolarHBondContact O-CA 3.2Å; C46-V57 WeakPolarHBondContact O-CB 3.28Å; C46-V57 PolarHBondContact O-N 3Å; C46-F58 HydrophobicContact CB-CD1 3.56Å; C46-F58 HydrophobicContact CB-CE1 3.19Å; C46-F58 HydrophobicContact CB-CE2 4.42Å; C46-F58 HydrophobicContact CB-CG 4.33Å; C46-F58 HydrophobicContact CB-CZ 3.68Å; C46-F58 PolarHBondContact N-O 2.75Å; C46-F58 PolarHBondContact O-N 2.71Å |
| 47 | F | 97.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 161.7 | 177.4 | 72.3 | -93.7 | 0 | 0 | 0 | 111.3 | T11 K34 V35 A54 V55 V311 | T11-F47 HydrophobicContact CG2-CD1 4.01Å; T11-F47 HydrophobicContact CG2-CE1 3.56Å; T11-F47 HydrophobicContact CG2-CZ 3.89Å; K34-F47 WeakPolarHBondContact CA-O 2.87Å; K34-F47 WeakPolarHBondContact CB-O 3.3Å; V35-F47 HydrophobicContact CB-CD1 4.05Å; V35-F47 HydrophobicContact CB-CE1 3.55Å; V35-F47 HydrophobicContact CB-CE2 4.07Å; V35-F47 HydrophobicContact CB-CZ 3.57Å; V35-F47 HydrophobicContact CG1-CE1 3.77Å; V35-F47 HydrophobicContact CG1-CZ 3.97Å; V35-F47 HydrophobicContact CG2-CE1 4.13Å; V35-F47 HydrophobicContact CG2-CE2 3.82Å; V35-F47 HydrophobicContact CG2-CZ 3.58Å; V35-F47 PolarHBondContact N-O 3.08Å; V35-F47 PolarHBondContact O-N 3.48Å; F47-A54 HydrophobicContact CD2-CB 3.66Å; F47-A54 HydrophobicContact CE2-CB 3.93Å; F47-A54 HydrophobicContact CG-CB 4.38Å; F47-V55 VanDerWaalsContact CA-O 3.3Å; F47-V55 WeakPolarHBondContact CA-O 3.04Å; F47-V55 WeakPolarHBondContact CB-O 3.36Å; F47-V311 HydrophobicContact CE1-CG1 4.34Å; F47-V311 HydrophobicContact CZ-CB 4.45Å; F47-V311 HydrophobicContact CZ-CG1 3.92Å |
| 48 | G | 94.9 | Very high | 94.1 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 162.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V55 | G48-V55 PolarHBondContact N-O 2.88Å; G48-V55 PolarHBondContact O-N 3.19Å |
| 49 | M | 93.3 | Very high | 94 | Very high | 31 Ų | 31 | 53.8 Ų | 53.8 | 15% | 0.153 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 132.3 | -177.5 | -61.6 | -56.4 | -69 | 0 | 0 | 111.1 | Y10 G52 E53 A54 V294 | Y10-M49 HydrophobicContact CD1-CE 3.71Å; Y10-M49 HydrophobicContact CD1-SD 3.51Å; Y10-M49 VanDerWaalsContact CD1-SD 3.51Å; Y10-M49 HydrophobicContact CE1-CE 3.78Å; Y10-M49 HydrophobicContact CE1-CG 4.25Å; Y10-M49 HydrophobicContact CE1-SD 3.76Å; M49-G52 VanDerWaalsContact CE-C 3.42Å; M49-G52 VanDerWaalsContact CE-O 3.3Å; M49-G52 WeakPolarHBondContact CE-O 3.34Å; M49-E53 WeakPolarHBondContact CA-O 3.24Å; M49-A54 HydrophobicContact SD-CB 3.92Å; M49-V294 WeakPolarHBondContact CB-O 3.48Å; M49-V294 HydrophobicContact CG-CG1 3.88Å; M49-V294 WeakPolarHBondContact CG-O 3.45Å |
| 50 | K | 88.9 | Confident | 94 | Very high | 143 Ų | 143 | 54.8 Ų | 54.8 | 62% | 0.622 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 116.1 | 172.7 | -170 | 177.5 | -177.6 | -179.2 | 0 | 108.8 | G52 E53 V55 | K50-G52 VanDerWaalsContact C-N 3.26Å; K50-G52 PolarHBondContact O-N 2.98Å; K50-E53 PolarHBondContact N-O 3.06Å; K50-E53 PolarHBondContact O-N 3.21Å; K50-V55 HydrophobicContact CB-CB 4.5Å; K50-V55 HydrophobicContact CB-CG2 3.9Å |
| 51 | K | 83.9 | Confident | 94 | Very high | 206 Ų | 206 | 60.3 Ų | 60.3 | 90% | 0.896 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 39.1 | -176.3 | -57.5 | -178.2 | 175.2 | -175.6 | 0 | 113.4 | E53 | K51-E53 VanDerWaalsContact C-N 3.29Å; K51-E53 PolarHBondContact O-N 2.85Å |
| 52 | G | 80.3 | Confident | 94 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 55% | 0.546 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 2.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | M49 K50 | M49-G52 VanDerWaalsContact CE-C 3.42Å; M49-G52 VanDerWaalsContact CE-O 3.3Å; M49-G52 WeakPolarHBondContact CE-O 3.34Å; K50-G52 VanDerWaalsContact C-N 3.26Å; K50-G52 PolarHBondContact O-N 2.98Å |
| 53 | E | 86.6 | Confident | 93.9 | Very high | 122 Ų | 122 | 62.2 Ų | 62.2 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.3 | 175.6 | -65.9 | -179.3 | 169.7 | 0 | 0 | 111.4 | M49 K50 K51 V55 | M49-E53 WeakPolarHBondContact CA-O 3.24Å; K50-E53 PolarHBondContact N-O 3.06Å; K50-E53 PolarHBondContact O-N 3.21Å; K51-E53 VanDerWaalsContact C-N 3.29Å; K51-E53 PolarHBondContact O-N 2.85Å; E53-V55 PolarHBondContact O-N 2.92Å |
| 54 | A | 92.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 64.8 Ų | 64.8 | 24% | 0.24 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 111.5 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | F47 M49 | F47-A54 HydrophobicContact CD2-CB 3.66Å; F47-A54 HydrophobicContact CE2-CB 3.93Å; F47-A54 HydrophobicContact CG-CB 4.38Å; M49-A54 HydrophobicContact SD-CB 3.92Å |
| 55 | V | 94.1 | Very high | 93.7 | Very high | 61 Ų | 61 | 70 Ų | 70 | 37% | 0.37 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | F47 G48 K50 E53 V57 | F47-V55 VanDerWaalsContact CA-O 3.3Å; F47-V55 WeakPolarHBondContact CA-O 3.04Å; F47-V55 WeakPolarHBondContact CB-O 3.36Å; G48-V55 PolarHBondContact N-O 2.88Å; G48-V55 PolarHBondContact O-N 3.19Å; K50-V55 HydrophobicContact CB-CB 4.5Å; K50-V55 HydrophobicContact CB-CG2 3.9Å; E53-V55 PolarHBondContact O-N 2.92Å; V55-V57 PolarHBondContact O-N 2.75Å |
| 56 | P | 94.5 | Very high | 93.7 | Very high | 84 Ų | 84 | 69.5 Ų | 69.5 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 126.6 | 177.3 | 26.5 | -33.4 | 0 | 0 | 0 | 110.4 | C46 | C46-P56 CarbonylContact O-C 3.37Å |
| 57 | V | 95.7 | Very high | 93.6 | Very high | 60 Ų | 60 | 70.3 Ų | 70.3 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -44.5 | 168.6 | 179 | 0 | 0 | 0 | 0 | 109.4 | K34 C46 V55 | K34-V57 HydrophobicContact CD-CG2 4.04Å; C46-V57 HydrophobicContact CB-CB 4.49Å; C46-V57 WeakPolarHBondContact O-CA 3.2Å; C46-V57 WeakPolarHBondContact O-CB 3.28Å; C46-V57 PolarHBondContact O-N 3Å; V55-V57 PolarHBondContact O-N 2.75Å |
| 58 | F | 97.3 | Very high | 93.6 | Very high | 23 Ų | 23 | 70.6 Ų | 70.6 | 10% | 0.101 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 158.6 | 168.5 | 72.9 | -93.2 | 0 | 0 | 0 | 110.2 | V44 C46 T60 I82 G97 | V44-F58 HydrophobicContact CB-CE2 4.45Å; V44-F58 HydrophobicContact CG1-CE2 4.11Å; V44-F58 HydrophobicContact CG1-CZ 4.32Å; C46-F58 HydrophobicContact CB-CD1 3.56Å; C46-F58 HydrophobicContact CB-CE1 3.19Å; C46-F58 HydrophobicContact CB-CE2 4.42Å; C46-F58 HydrophobicContact CB-CG 4.33Å; C46-F58 HydrophobicContact CB-CZ 3.68Å; C46-F58 PolarHBondContact N-O 2.75Å; C46-F58 PolarHBondContact O-N 2.71Å; F58-T60 HydrophobicContact CD2-CG2 4.21Å; F58-T60 HydrophobicContact CE2-CG2 4.06Å; F58-I82 HydrophobicContact CE1-CD1 4.23Å; F58-I82 HydrophobicContact CZ-CD1 3.96Å; F58-G97 VanDerWaalsContact CD1-N 3.26Å |
| 59 | K | 97.3 | Very high | 93.8 | Very high | 142 Ų | 142 | 70.3 Ų | 70.3 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 127.1 | 170.6 | -173.4 | 170 | -175.9 | 173 | 0 | 107.8 | V43 V44 | V43-K59 HydrophobicContact CG1-CD 4.15Å; V43-K59 VanDerWaalsContact CG1-CE 3.48Å; V43-K59 HydrophobicContact CG1-CG 3.51Å; V44-K59 WeakPolarHBondContact O-CA 3.43Å |
| 60 | T | 97.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 69.2 Ų | 69.2 | 17% | 0.166 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 169.7 | 179.2 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | V44 F58 F93 | V44-T60 HydrophobicContact CB-CG2 4Å; V44-T60 PolarHBondContact N-OG1 3.31Å; V44-T60 PolarHBondContact O-N 2.58Å; F58-T60 HydrophobicContact CD2-CG2 4.21Å; F58-T60 HydrophobicContact CE2-CG2 4.06Å; T60-F93 HydrophobicContact CG2-CD1 4.27Å; T60-F93 HydrophobicContact CG2-CE1 3.77Å; T60-F93 HydrophobicContact CG2-CZ 4.14Å |
| 61 | L | 96.3 | Very high | 94.2 | Very high | 150 Ų | 150 | 63 Ų | 63 | 79% | 0.785 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 153.7 | 168.2 | -62.6 | 175.6 | 0 | 0 | 0 | 110.4 | ||
| 62 | P | 96.3 | Very high | 94.6 | Very high | 100 Ų | 100 | 53.2 Ų | 53.2 | 65% | 0.649 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 153.3 | 171.3 | -24.1 | 34.3 | 0 | 0 | 0 | 112.8 | D41 V43 | D41-P62 CarbonylContact O-C 3.59Å; D41-P62 VanDerWaalsContact O-CA 3.25Å; D41-P62 WeakPolarHBondContact O-CA 3.44Å; D41-P62 WeakPolarHBondContact O-CB 3.48Å; V43-P62 HydrophobicContact CG2-CB 4.12Å; V43-P62 HydrophobicContact CG2-CG 3.98Å |
| 63 | G | 94.8 | Very high | 95 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | trans | -161.4 | -153.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D41 | D41-G63 CarbonylContact C-O 3.58Å; D41-G63 PolarHBondContact O-N 2.83Å; D41-G63 VanDerWaalsContact O-O 3.08Å | ||
| 64 | A | 94.8 | Very high | 94.8 | Very high | 61 Ų | 61 | 48.5 Ų | 48.5 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -74 | 150.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G42 V66 S86 | G42-A64 WeakPolarHBondContact CA-O 3.49Å; A64-V66 PolarHBondContact O-N 2.98Å; A64-S86 PolarHBondContact O-OG 2.94Å |
| 65 | K | 95.9 | Very high | 94.2 | Very high | 110 Ų | 110 | 53.2 Ų | 53.2 | 48% | 0.478 | 32% | 0.322 | S | S | . | . | trans | -40.5 | 127.2 | 175.4 | 174 | -178.1 | 178.6 | -175.8 | 0 | 111.8 | S17 H40 S86 | S17-K65 WeakPolarHBondContact OG-CE 3.39Å; H40-K65 HydrophobicContact CB-CG 4.18Å; H40-K65 VanDerWaalsContact NE2-CE 3.27Å; H40-K65 WeakPolarHBondContact NE2-CE 3.31Å; H40-K65 VanDerWaalsContact O-CA 3.25Å; H40-K65 WeakPolarHBondContact O-CA 3.26Å; K65-S86 WeakPolarHBondContact O-CA 3.49Å; K65-S86 WeakPolarHBondContact O-CB 3.3Å; K65-S86 PolarHBondContact O-OG 2.81Å | ||
| 66 | V | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -82.3 | 121.9 | 169.3 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | S17 T20 A38 D39 A64 R68 V84 C85 | S17-V66 PolarHBondContact OG-O 2.98Å; T20-V66 HydrophobicContact CG2-CG1 4.28Å; A38-V66 HydrophobicContact CB-CB 3.8Å; A38-V66 HydrophobicContact CB-CG1 3.67Å; A38-V66 HydrophobicContact CB-CG2 3.84Å; D39-V66 PolarHBondContact O-N 2.92Å; D39-V66 VanDerWaalsContact O-N 3.16Å; A64-V66 PolarHBondContact O-N 2.98Å; V66-R68 WeakPolarHBondContact CG1-O 3.1Å; V66-V84 HydrophobicContact CG1-CB 3.88Å; V66-V84 HydrophobicContact CG1-CG1 4.19Å; V66-C85 CarbonylContact C-O 3.6Å; V66-C85 WeakPolarHBondContact CA-O 3.44Å | ||
| 67 | A | 97.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | trans | -90 | -37.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S17 C85 I111 | S17-A67 WeakPolarHBondContact CB-O 3.28Å; A67-C85 PolarHBondContact N-O 3.13Å; A67-I111 VanDerWaalsContact CB-O 3.3Å; A67-I111 WeakPolarHBondContact CB-O 3.39Å | ||
| 68 | R | 97.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 4% | 0.038 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 155 | -178.6 | -72.8 | -63.2 | -169.4 | 174.3 | 7.3 | 112 | Q18 V66 V84 C85 N112 L114 N148 D149 | Q18-R68 VanDerWaalsContact O-CD 3.24Å; Q18-R68 WeakPolarHBondContact O-CD 3.48Å; Q18-R68 PolarHBondContact O-NH1 2.97Å; Q18-R68 VanDerWaalsContact OE1-NH2 3.07Å; V66-R68 WeakPolarHBondContact CG1-O 3.1Å; R68-V84 WeakPolarHBondContact O-CA 3.44Å; R68-C85 PolarHBondContact O-N 2.98Å; R68-N112 WeakPolarHBondContact CD-O 3.47Å; R68-N112 WeakPolarHBondContact CG-O 3.38Å; R68-N112 PolarHBondContact NE-O 3.23Å; R68-L114 HydrophobicContact CB-CB 4.18Å; R68-N148 PolarHBondContact NH2-O 3.29Å; R68-D149 IonicContact NH2-OD1 2.79Å |
| 69 | M | 97.5 | Very high | 92 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.02 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.7 | 169.8 | -178.1 | -177.5 | -67.5 | 0 | 0 | 110.5 | K19 T20 R22 A36 A38 V44 I82 F83 V84 | K19-M69 PolarHBondContact O-N 3Å; K19-M69 VanDerWaalsContact O-N 3.16Å; T20-M69 WeakPolarHBondContact O-CE 3.33Å; R22-M69 HydrophobicContact CB-SD 4.24Å; R22-M69 HydrophobicContact CG-CG 4.21Å; R22-M69 HydrophobicContact CG-SD 4.27Å; A36-M69 HydrophobicContact CB-CE 4.48Å; A36-M69 HydrophobicContact CB-SD 3.94Å; A38-M69 HydrophobicContact CB-CE 3.53Å; V44-M69 HydrophobicContact CG1-CE 4.09Å; M69-I82 HydrophobicContact CE-CG2 4.01Å; M69-I82 HydrophobicContact CG-CG2 3.95Å; M69-I82 HydrophobicContact SD-CG2 3.8Å; M69-F83 CarbonylContact C-O 3.54Å; M69-F83 VanDerWaalsContact CA-O 3.27Å; M69-F83 WeakPolarHBondContact CA-O 3.34Å; M69-V84 HydrophobicContact CB-CG1 4.19Å; M69-V84 HydrophobicContact CE-CG1 3.74Å; M69-V84 HydrophobicContact CG-CG1 4Å |
| 70 | D | 96.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.048 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 160.7 | 168.3 | -153.9 | 19.3 | 0 | 0 | 0 | 112 | R22 F83 L114 H115 V116 | R22-D70 IonicContact CZ-OD1 3.67Å; R22-D70 IonicContact NE-OD1 3.21Å; R22-D70 PolarHBondContact NE-OD1 3.25Å; R22-D70 IonicContact NH2-OD1 3.36Å; R22-D70 PolarHBondContact NH2-OD1 3.29Å; D70-F83 PolarHBondContact N-O 2.73Å; D70-F83 PolarHBondContact O-N 3.19Å; D70-L114 HydrophobicContact CB-CD2 3.9Å; D70-L114 HydrophobicContact CB-CG 4.2Å; D70-H115 WeakPolarHBondContact OD2-CA 3.38Å; D70-H115 IonicContact OD2-ND1 3.23Å; D70-V116 HydrophobicContact CB-CG2 4.43Å; D70-V116 PolarHBondContact OD2-N 2.89Å; D70-V116 VanDerWaalsContact OD2-N 3.08Å |
| 71 | L | 95.2 | Very high | 91.7 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.4 | 173.6 | -61.3 | -175.1 | 0 | 0 | 0 | 110.2 | R22 L23 L24 Q79 K81 I82 | R22-L71 HydrophobicContact CB-CD1 3.9Å; R22-L71 HydrophobicContact CB-CD2 4Å; R22-L71 HydrophobicContact CB-CG 3.71Å; R22-L71 HydrophobicContact CG-CG 4.04Å; L23-L71 WeakPolarHBondContact O-CD1 3.1Å; L24-L71 HydrophobicContact CD2-CD1 4.24Å; L24-L71 HydrophobicContact CD2-CD2 3.84Å; L71-Q79 HydrophobicContact CB-CB 4.11Å; L71-K81 CarbonylContact C-O 3.59Å; L71-K81 WeakPolarHBondContact CA-O 3.15Å; L71-I82 HydrophobicContact CD2-CB 4.4Å; L71-I82 HydrophobicContact CD2-CG1 3.86Å |
| 72 | G | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 172.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q79 E80 K81 | G72-Q79 CarbonylContact O-C 3.54Å; G72-Q79 VanDerWaalsContact O-CA 3.3Å; G72-Q79 WeakPolarHBondContact O-CA 3.27Å; G72-E80 PolarHBondContact O-N 3.01Å; G72-K81 PolarHBondContact N-O 3.3Å; G72-K81 VanDerWaalsContact O-CB 3.28Å; G72-K81 WeakPolarHBondContact O-CB 3.47Å; G72-K81 PolarHBondContact O-N 2.77Å |
| 73 | G | 87.7 | Confident | 91.9 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 14% | 0.144 | 29% | 0.292 | C | S | . | . | trans | -178.6 | 167.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | G118 | G73-G118 VanDerWaalsContact O-CA 3.26Å; G73-G118 WeakPolarHBondContact O-CA 3.48Å; G73-G118 PolarHBondContact O-N 3.32Å | ||
| 74 | A | 83.3 | Confident | 92.1 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 52% | 0.521 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -62.5 | 147.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | G76 T77 | A74-G76 PolarHBondContact O-N 2.94Å; A74-T77 HydrophobicContact CB-CG2 4.1Å; A74-T77 PolarHBondContact N-OG1 2.71Å; A74-T77 VanDerWaalsContact N-OG1 3.17Å; A74-T77 WeakPolarHBondContact O-CB 3.37Å; A74-T77 PolarHBondContact O-N 2.86Å; A74-T77 PolarHBondContact O-OG1 3.07Å |
| 75 | V | 79.3 | Confident | 92.2 | Very high | 128 Ų | 128 | 40.4 Ų | 40.4 | 78% | 0.776 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 132 | 179.6 | -177 | 0 | 0 | 0 | 0 | 110 | T77 | V75-T77 VanDerWaalsContact C-N 3.25Å; V75-T77 PolarHBondContact O-N 3.05Å |
| 76 | G | 76.4 | Confident | 92.1 | Very high | 85 Ų | 85 | 35.6 Ų | 35.6 | 88% | 0.876 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 5.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A74 | A74-G76 PolarHBondContact O-N 2.94Š|
| 77 | T | 84.7 | Confident | 92 | Very high | 72 Ų | 72 | 36.9 Ų | 36.9 | 44% | 0.442 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -109.1 | 153.5 | 172.6 | 70.4 | 0 | 0 | 0 | 0 | 111.3 | A74 V75 Q79 | A74-T77 HydrophobicContact CB-CG2 4.1Å; A74-T77 PolarHBondContact N-OG1 2.71Å; A74-T77 VanDerWaalsContact N-OG1 3.17Å; A74-T77 WeakPolarHBondContact O-CB 3.37Å; A74-T77 PolarHBondContact O-N 2.86Å; A74-T77 PolarHBondContact O-OG1 3.07Å; V75-T77 VanDerWaalsContact C-N 3.25Å; V75-T77 PolarHBondContact O-N 3.05Å; T77-Q79 PolarHBondContact O-N 2.85Å |
| 78 | P | 85.4 | Confident | 91.8 | Very high | 88 Ų | 88 | 37.5 Ų | 37.5 | 57% | 0.571 | 24% | 0.244 | S | C | * | . | trans | -55.9 | 130.6 | 173.5 | -25 | 34.4 | 0 | 0 | 0 | 111.6 | P25 E80 | P25-P78 HydrophobicContact CB-CB 4.22Å; P25-P78 HydrophobicContact CG-CB 4.35Å; P78-E80 HydrophobicContact CB-CG 4.17Å; P78-E80 PolarHBondContact O-N 2.87Å | ||
| 79 | Q | 90.2 | Very high | 91.7 | Very high | 92 Ų | 92 | 39.7 Ų | 39.7 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | trans | -73.8 | 87.5 | -179.6 | -65.5 | 177.1 | -12.5 | 0 | 0 | 110.8 | P25 L71 G72 T77 | P25-Q79 WeakPolarHBondContact CD-O 3.26Å; P25-Q79 VanDerWaalsContact CG-O 3.32Å; P25-Q79 WeakPolarHBondContact CG-O 3.12Å; L71-Q79 HydrophobicContact CB-CB 4.11Å; G72-Q79 CarbonylContact O-C 3.54Å; G72-Q79 VanDerWaalsContact O-CA 3.3Å; G72-Q79 WeakPolarHBondContact O-CA 3.27Å; T77-Q79 PolarHBondContact O-N 2.85Å | ||
| 80 | E | 92.2 | Very high | 91.7 | Very high | 44 Ų | 44 | 39.5 Ų | 39.5 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | trans | -109.8 | 3 | -176.4 | -61.1 | -173.9 | 141.9 | 0 | 0 | 114 | P25 G72 P78 K95 | P25-E80 HydrophobicContact CG-CG 4.49Å; G72-E80 PolarHBondContact O-N 3.01Å; P78-E80 HydrophobicContact CB-CG 4.17Å; P78-E80 PolarHBondContact O-N 2.87Å; E80-K95 HydrophobicContact CB-CD 4.34Å; E80-K95 PolarHBondContact O-N 3.23Å; E80-K95 IonicContact OE1-NZ 2.71Å; E80-K95 PolarHBondContact OE1-NZ 2.87Å; E80-K95 WeakPolarHBondContact OE2-CD 3.18Å; E80-K95 VanDerWaalsContact OE2-CE 3.32Å; E80-K95 WeakPolarHBondContact OE2-CE 3.43Å; E80-K95 IonicContact OE2-NZ 2.58Å; E80-K95 PolarHBondContact OE2-NZ 3.04Å | ||
| 81 | K | 96.1 | Very high | 91.8 | Very high | 80 Ų | 80 | 40.4 Ų | 40.4 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.5 | 176.8 | -55.8 | -60.2 | -173.1 | 171.9 | 0 | 108.9 | L71 G72 F83 T94 F100 | L71-K81 CarbonylContact C-O 3.59Å; L71-K81 WeakPolarHBondContact CA-O 3.15Å; G72-K81 PolarHBondContact N-O 3.3Å; G72-K81 VanDerWaalsContact O-CB 3.28Å; G72-K81 WeakPolarHBondContact O-CB 3.47Å; G72-K81 PolarHBondContact O-N 2.77Å; K81-F83 HydrophobicContact CB-CD2 4.28Å; K81-F83 HydrophobicContact CB-CE2 3.59Å; K81-F83 HydrophobicContact CB-CZ 4.26Å; K81-T94 HydrophobicContact CD-CG2 4.49Å; K81-F100 HydrophobicContact CB-CE1 4.08Å; K81-F100 HydrophobicContact CB-CZ 3.98Å; K81-F100 HydrophobicContact CD-CD1 4.47Å; K81-F100 HydrophobicContact CD-CE1 3.75Å; K81-F100 HydrophobicContact CD-CZ 4.02Å; K81-F100 HydrophobicContact CG-CE1 4.23Å; K81-F100 HydrophobicContact CG-CZ 4.07Å |
| 82 | I | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 120.2 | -178.8 | -56.8 | 160.5 | 0 | 0 | 0 | 107.5 | L24 A36 F58 M69 L71 V84 G92 F93 | L24-I82 HydrophobicContact CD1-CD1 4.5Å; L24-I82 HydrophobicContact CD2-CD1 4.22Å; L24-I82 HydrophobicContact CD2-CG1 3.92Å; A36-I82 HydrophobicContact CB-CD1 3.75Å; A36-I82 HydrophobicContact CB-CG1 4.19Å; F58-I82 HydrophobicContact CE1-CD1 4.23Å; F58-I82 HydrophobicContact CZ-CD1 3.96Å; M69-I82 HydrophobicContact CE-CG2 4.01Å; M69-I82 HydrophobicContact CG-CG2 3.95Å; M69-I82 HydrophobicContact SD-CG2 3.8Å; L71-I82 HydrophobicContact CD2-CB 4.4Å; L71-I82 HydrophobicContact CD2-CG1 3.86Å; I82-V84 HydrophobicContact CG2-CG1 4.22Å; I82-G92 CarbonylContact O-C 3.09Å; I82-G92 WeakPolarHBondContact O-CA 3.25Å; I82-F93 HydrophobicContact CB-CB 4.38Å; I82-F93 PolarHBondContact N-O 3.34Å; I82-F93 PolarHBondContact O-N 2.89Å |
| 83 | F | 98.3 | Very high | 92.2 | Very high | 20 Ų | 20 | 40 Ų | 40 | 9% | 0.088 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 134.5 | 173.9 | -66.4 | -97.8 | 0 | 0 | 0 | 109.3 | M69 D70 K81 V90 R91 F100 L101 L114 V116 | M69-F83 CarbonylContact C-O 3.54Å; M69-F83 VanDerWaalsContact CA-O 3.27Å; M69-F83 WeakPolarHBondContact CA-O 3.34Å; D70-F83 PolarHBondContact N-O 2.73Å; D70-F83 PolarHBondContact O-N 3.19Å; K81-F83 HydrophobicContact CB-CD2 4.28Å; K81-F83 HydrophobicContact CB-CE2 3.59Å; K81-F83 HydrophobicContact CB-CZ 4.26Å; F83-V90 HydrophobicContact CD1-CG1 4.19Å; F83-R91 WeakPolarHBondContact CA-O 3.38Å; F83-F100 HydrophobicContact CE1-CZ 4.15Å; F83-F100 HydrophobicContact CE2-CZ 4.45Å; F83-F100 HydrophobicContact CZ-CE2 4.4Å; F83-F100 AromaticContact CZ-CZ 3.83Å; F83-F100 HydrophobicContact CZ-CZ 3.83Å; F83-L101 HydrophobicContact CD1-CD2 4.17Å; F83-L101 HydrophobicContact CE1-CD2 3.66Å; F83-L114 HydrophobicContact CB-CD2 3.98Å; F83-V116 HydrophobicContact CB-CG2 4.07Å; F83-V116 HydrophobicContact CD1-CG2 4.44Å; F83-V116 HydrophobicContact CD2-CB 4.39Å; F83-V116 HydrophobicContact CD2-CG1 4.07Å; F83-V116 HydrophobicContact CD2-CG2 4.07Å; F83-V116 HydrophobicContact CE2-CG1 3.84Å; F83-V116 HydrophobicContact CG-CG2 3.96Å; F83-V116 HydrophobicContact CZ-CG1 4.15Å |
| 84 | V | 98 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 143.7 | 177.7 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | A38 V44 V66 R68 M69 I82 V90 R91 F93 | A38-V84 HydrophobicContact CB-CG1 4.44Å; V44-V84 HydrophobicContact CG2-CG1 4.01Å; V44-V84 HydrophobicContact CG2-CG2 4.1Å; V66-V84 HydrophobicContact CG1-CB 3.88Å; V66-V84 HydrophobicContact CG1-CG1 4.19Å; R68-V84 WeakPolarHBondContact O-CA 3.44Å; M69-V84 HydrophobicContact CB-CG1 4.19Å; M69-V84 HydrophobicContact CE-CG1 3.74Å; M69-V84 HydrophobicContact CG-CG1 4Å; I82-V84 HydrophobicContact CG2-CG1 4.22Å; V84-V90 WeakPolarHBondContact O-CA 3.14Å; V84-R91 HydrophobicContact CG2-CB 3.97Å; V84-R91 PolarHBondContact N-O 3.24Å; V84-R91 PolarHBondContact O-N 3.17Å; V84-F93 HydrophobicContact CG2-CD2 4.29Å; V84-F93 HydrophobicContact CG2-CE2 3.77Å |
| 85 | C | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.5 | 175.6 | -63 | 0 | 0 | 0 | 0 | 110.9 | V66 A67 R68 Q89 I111 | V66-C85 CarbonylContact C-O 3.6Å; V66-C85 WeakPolarHBondContact CA-O 3.44Å; A67-C85 PolarHBondContact N-O 3.13Å; R68-C85 PolarHBondContact O-N 2.98Å; C85-Q89 WeakPolarHBondContact CA-O 3.28Å; C85-I111 HydrophobicContact CB-CB 4.07Å; C85-I111 HydrophobicContact CB-CG2 3.96Å |
| 86 | S | 95.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 112.4 | 174.1 | -61.8 | 0 | 0 | 0 | 0 | 109.2 | A64 K65 S88 Q89 R91 | A64-S86 PolarHBondContact O-OG 2.94Å; K65-S86 WeakPolarHBondContact O-CA 3.49Å; K65-S86 WeakPolarHBondContact O-CB 3.3Å; K65-S86 PolarHBondContact O-OG 2.81Å; S86-S88 PolarHBondContact O-N 2.88Å; S86-Q89 PolarHBondContact N-O 3.44Å; S86-Q89 PolarHBondContact O-N 3.05Å; S86-R91 PolarHBondContact OG-NH2 3.45Å |
| 87 | G | 94.2 | Very high | 94.5 | Very high | 26 Ų | 26 | 39.3 Ų | 39.3 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -129.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q89 S110 I111 | G87-Q89 VanDerWaalsContact C-N 3.34Å; G87-S110 WeakPolarHBondContact O-CA 3.39Å; G87-I111 PolarHBondContact O-N 2.94Å |
| 88 | S | 93.9 | Very high | 95.1 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 22% | 0.217 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 6.1 | 176.1 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | S86 E104 A105 | S86-S88 PolarHBondContact O-N 2.88Å; S88-E104 VanDerWaalsContact CB-OE1 3.31Å; S88-E104 WeakPolarHBondContact CB-OE1 3.39Å; S88-E104 PolarHBondContact OG-OE1 2.88Å; S88-A105 WeakPolarHBondContact O-CB 3.16Å; S88-A105 PolarHBondContact O-N 2.97Å |
| 89 | Q | 95.8 | Very high | 95.6 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.1 | -173.1 | -173.1 | 173.5 | 92.2 | 0 | 0 | 112.6 | C85 S86 G87 R91 T102 F103 E104 | C85-Q89 WeakPolarHBondContact CA-O 3.28Å; S86-Q89 PolarHBondContact N-O 3.44Å; S86-Q89 PolarHBondContact O-N 3.05Å; G87-Q89 VanDerWaalsContact C-N 3.34Å; Q89-R91 HydrophobicContact CG-CG 4.21Å; Q89-T102 VanDerWaalsContact CD-CG2 3.46Å; Q89-T102 HydrophobicContact CG-CG2 4.05Å; Q89-F103 CarbonylContact C-O 3.6Å; Q89-F103 WeakPolarHBondContact CA-O 3.46Å; Q89-F103 WeakPolarHBondContact CG-O 3.46Å; Q89-E104 WeakPolarHBondContact CB-OE2 3.27Å; Q89-E104 PolarHBondContact NE2-OE2 2.78Å; Q89-E104 VanDerWaalsContact NE2-OE2 3.07Å |
| 90 | V | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 125.8 | 169.3 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | F83 V84 F103 I111 L121 V123 | F83-V90 HydrophobicContact CD1-CG1 4.19Å; V84-V90 WeakPolarHBondContact O-CA 3.14Å; V90-F103 HydrophobicContact CB-CB 4.48Å; V90-F103 HydrophobicContact CB-CD1 4.49Å; V90-F103 HydrophobicContact CG2-CD1 4.46Å; V90-F103 PolarHBondContact N-O 2.81Å; V90-F103 PolarHBondContact O-N 2.85Å; V90-I111 HydrophobicContact CG2-CD1 3.79Å; V90-L121 HydrophobicContact CG1-CD1 4.35Å; V90-L121 HydrophobicContact CG2-CD2 4.31Å; V90-V123 HydrophobicContact CG2-CG1 4.13Å |
| 91 | R | 97.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 11% | 0.106 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.3 | 176.4 | -63.9 | -179.4 | -72 | 160.9 | -2.5 | 110.1 | F83 V84 S86 Q89 F93 L101 | F83-R91 WeakPolarHBondContact CA-O 3.38Å; V84-R91 HydrophobicContact CG2-CB 3.97Å; V84-R91 PolarHBondContact N-O 3.24Å; V84-R91 PolarHBondContact O-N 3.17Å; S86-R91 PolarHBondContact OG-NH2 3.45Å; Q89-R91 HydrophobicContact CG-CG 4.21Å; R91-F93 HydrophobicContact CB-CE2 3.75Å; R91-F93 HydrophobicContact CB-CZ 4.21Å; R91-L101 WeakPolarHBondContact CA-O 3.39Å |
| 92 | G | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I82 Q99 F100 L101 | I82-G92 CarbonylContact O-C 3.09Å; I82-G92 WeakPolarHBondContact O-CA 3.25Å; G92-Q99 CarbonylContact O-C 3.58Å; G92-Q99 WeakPolarHBondContact O-CA 3.17Å; G92-F100 VanDerWaalsContact O-CD1 3.3Å; G92-F100 WeakPolarHBondContact O-CD1 3.33Å; G92-F100 PolarHBondContact O-N 3.35Å; G92-L101 PolarHBondContact N-O 3.23Å; G92-L101 PolarHBondContact O-N 2.86Å |
| 93 | F | 97.7 | Very high | 96 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.1 | 179 | -60.2 | -89.4 | 0 | 0 | 0 | 111.2 | V44 T60 I82 V84 R91 Q99 | V44-F93 HydrophobicContact CG2-CE2 4.25Å; T60-F93 HydrophobicContact CG2-CD1 4.27Å; T60-F93 HydrophobicContact CG2-CE1 3.77Å; T60-F93 HydrophobicContact CG2-CZ 4.14Å; I82-F93 HydrophobicContact CB-CB 4.38Å; I82-F93 PolarHBondContact N-O 3.34Å; I82-F93 PolarHBondContact O-N 2.89Å; V84-F93 HydrophobicContact CG2-CD2 4.29Å; V84-F93 HydrophobicContact CG2-CE2 3.77Å; R91-F93 HydrophobicContact CB-CE2 3.75Å; R91-F93 HydrophobicContact CB-CZ 4.21Å; F93-Q99 HydrophobicContact CD1-CB 3.87Å; F93-Q99 HydrophobicContact CD1-CG 4.31Å; F93-Q99 HydrophobicContact CE1-CB 3.7Å; F93-Q99 HydrophobicContact CE1-CG 3.92Å; F93-Q99 HydrophobicContact CZ-CG 4.27Å |
| 94 | T | 95.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 15% | 0.153 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 161.5 | 167.6 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | K81 K96 G97 K98 F100 | K81-T94 HydrophobicContact CD-CG2 4.49Å; T94-K96 PolarHBondContact O-N 2.81Å; T94-K96 PolarHBondContact OG1-N 2.92Å; T94-G97 PolarHBondContact O-N 2.87Å; T94-K98 HydrophobicContact CG2-CB 4.42Å; T94-K98 PolarHBondContact N-O 2.85Å; T94-K98 PolarHBondContact OG1-N 3.46Å; T94-K98 PolarHBondContact OG1-O 2.67Å; T94-F100 HydrophobicContact CG2-CD1 3.87Å |
| 95 | K | 92.9 | Very high | 95.5 | Very high | 64 Ų | 64 | 46.9 Ų | 46.9 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -10.7 | 170.3 | 71.8 | -177.9 | 178.7 | -166 | 0 | 116.3 | L24 E80 | L24-K95 HydrophobicContact CD1-CB 3.97Å; E80-K95 HydrophobicContact CB-CD 4.34Å; E80-K95 PolarHBondContact O-N 3.23Å; E80-K95 IonicContact OE1-NZ 2.71Å; E80-K95 PolarHBondContact OE1-NZ 2.87Å; E80-K95 WeakPolarHBondContact OE2-CD 3.18Å; E80-K95 VanDerWaalsContact OE2-CE 3.32Å; E80-K95 WeakPolarHBondContact OE2-CE 3.43Å; E80-K95 IonicContact OE2-NZ 2.58Å; E80-K95 PolarHBondContact OE2-NZ 3.04Å |
| 96 | K | 93.4 | Very high | 94.9 | Very high | 166 Ų | 166 | 53.7 Ų | 53.7 | 72% | 0.722 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 2.4 | 176 | -63.4 | -174 | 178.7 | -179 | 0 | 113.2 | T94 | T94-K96 PolarHBondContact O-N 2.81Å; T94-K96 PolarHBondContact OG1-N 2.92Å |
| 97 | G | 94.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 86.1 | -0.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | F58 T94 Q99 | F58-G97 VanDerWaalsContact CD1-N 3.26Å; T94-G97 PolarHBondContact O-N 2.87Å; G97-Q99 PolarHBondContact O-N 2.94Å |
| 98 | K | 96.6 | Very high | 94.1 | Very high | 156 Ų | 156 | 59.4 Ų | 59.4 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | trans | -69.4 | 118.7 | 172.1 | -176.1 | 179.6 | 178.6 | -177.6 | 0 | 109.4 | T94 | T94-K98 HydrophobicContact CG2-CB 4.42Å; T94-K98 PolarHBondContact N-O 2.85Å; T94-K98 PolarHBondContact OG1-N 3.46Å; T94-K98 PolarHBondContact OG1-O 2.67Å | ||
| 99 | Q | 96.9 | Very high | 93.9 | Very high | 92 Ų | 92 | 60.1 Ų | 60.1 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 129.5 | 169.4 | -168.7 | 172.4 | -51.2 | 0 | 0 | 109.4 | G92 F93 G97 T102 | G92-Q99 CarbonylContact O-C 3.58Å; G92-Q99 WeakPolarHBondContact O-CA 3.17Å; F93-Q99 HydrophobicContact CD1-CB 3.87Å; F93-Q99 HydrophobicContact CD1-CG 4.31Å; F93-Q99 HydrophobicContact CE1-CB 3.7Å; F93-Q99 HydrophobicContact CE1-CG 3.92Å; F93-Q99 HydrophobicContact CZ-CG 4.27Å; G97-Q99 PolarHBondContact O-N 2.94Å; Q99-T102 PolarHBondContact NE2-OG1 2.87Å |
| 100 | F | 96 | Very high | 93.7 | Very high | 93 Ų | 93 | 60.5 Ų | 60.5 | 41% | 0.408 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | -16.4 | -180 | 72.5 | -90 | 0 | 0 | 0 | 113.1 | K81 F83 G92 T94 | K81-F100 HydrophobicContact CB-CE1 4.08Å; K81-F100 HydrophobicContact CB-CZ 3.98Å; K81-F100 HydrophobicContact CD-CD1 4.47Å; K81-F100 HydrophobicContact CD-CE1 3.75Å; K81-F100 HydrophobicContact CD-CZ 4.02Å; K81-F100 HydrophobicContact CG-CE1 4.23Å; K81-F100 HydrophobicContact CG-CZ 4.07Å; F83-F100 HydrophobicContact CE1-CZ 4.15Å; F83-F100 HydrophobicContact CE2-CZ 4.45Å; F83-F100 HydrophobicContact CZ-CE2 4.4Å; F83-F100 AromaticContact CZ-CZ 3.83Å; F83-F100 HydrophobicContact CZ-CZ 3.83Å; G92-F100 VanDerWaalsContact O-CD1 3.3Å; G92-F100 WeakPolarHBondContact O-CD1 3.33Å; G92-F100 PolarHBondContact O-N 3.35Å; T94-F100 HydrophobicContact CG2-CD1 3.87Å |
| 101 | L | 96.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 60.5 Ų | 60.5 | 20% | 0.204 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.5 | 178.5 | -177.3 | 69.7 | 0 | 0 | 0 | 110.5 | F83 R91 G92 F103 | F83-L101 HydrophobicContact CD1-CD2 4.17Å; F83-L101 HydrophobicContact CE1-CD2 3.66Å; R91-L101 WeakPolarHBondContact CA-O 3.39Å; G92-L101 PolarHBondContact N-O 3.23Å; G92-L101 PolarHBondContact O-N 2.86Å; L101-F103 HydrophobicContact CD1-CB 4.39Å; L101-F103 HydrophobicContact CD2-CB 4.5Å; L101-F103 HydrophobicContact CG-CB 4.36Å |
| 102 | T | 96.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 62.1 Ų | 62.1 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 112.2 | 163.3 | -57.8 | 0 | 0 | 0 | 0 | 106.3 | Q89 Q99 | Q89-T102 VanDerWaalsContact CD-CG2 3.46Å; Q89-T102 HydrophobicContact CG-CG2 4.05Å; Q99-T102 PolarHBondContact NE2-OG1 2.87Å |
| 103 | F | 96.4 | Very high | 93.5 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 11% | 0.114 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.2 | -176.2 | 174.1 | -115 | 0 | 0 | 0 | 109.3 | Q89 V90 L101 A105 L121 Y132 C135 | Q89-F103 CarbonylContact C-O 3.6Å; Q89-F103 WeakPolarHBondContact CA-O 3.46Å; Q89-F103 WeakPolarHBondContact CG-O 3.46Å; V90-F103 HydrophobicContact CB-CB 4.48Å; V90-F103 HydrophobicContact CB-CD1 4.49Å; V90-F103 HydrophobicContact CG2-CD1 4.46Å; V90-F103 PolarHBondContact N-O 2.81Å; V90-F103 PolarHBondContact O-N 2.85Å; L101-F103 HydrophobicContact CD1-CB 4.39Å; L101-F103 HydrophobicContact CD2-CB 4.5Å; L101-F103 HydrophobicContact CG-CB 4.36Å; F103-A105 HydrophobicContact CE1-CB 4.1Å; F103-L121 HydrophobicContact CD1-CD2 3.66Å; F103-L121 HydrophobicContact CE1-CD2 3.94Å; F103-Y132 HydrophobicContact CE1-CD1 4.02Å; F103-Y132 AromaticContact CE1-CD2 3.8Å; F103-Y132 HydrophobicContact CE1-CD2 3.8Å; F103-Y132 HydrophobicContact CE1-CE1 4.17Å; F103-Y132 AromaticContact CE1-CE2 3.9Å; F103-Y132 HydrophobicContact CE1-CE2 3.9Å; F103-Y132 AromaticContact CE1-CG 3.85Å; F103-Y132 HydrophobicContact CE1-CG 3.85Å; F103-Y132 AromaticContact CZ-CD1 3.53Å; F103-Y132 HydrophobicContact CZ-CD1 3.53Å; F103-Y132 HydrophobicContact CZ-CD2 4.18Å; F103-Y132 AromaticContact CZ-CE1 3.65Å; F103-Y132 HydrophobicContact CZ-CE1 3.65Å; F103-Y132 HydrophobicContact CZ-CE2 4.23Å; F103-Y132 AromaticContact CZ-CG 3.83Å; F103-Y132 HydrophobicContact CZ-CG 3.83Å; F103-Y132 AromaticContact CZ-CZ 4Å; F103-C135 HydrophobicContact CD2-CB 3.54Å; F103-C135 HydrophobicContact CE2-CB 3.67Å; F103-C135 WeakPolarHBondContact CE2-O 3.45Å; F103-C135 HydrophobicContact CG-CB 4.22Å; F103-C135 HydrophobicContact CZ-CB 4.43Å |
| 104 | E | 95.1 | Very high | 93.4 | Very high | 69 Ų | 69 | 62.5 Ų | 62.5 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 114.5 | 176.9 | -165.4 | 64 | -138.9 | 0 | 0 | 108.3 | S88 Q89 N106 | S88-E104 VanDerWaalsContact CB-OE1 3.31Å; S88-E104 WeakPolarHBondContact CB-OE1 3.39Å; S88-E104 PolarHBondContact OG-OE1 2.88Å; Q89-E104 WeakPolarHBondContact CB-OE2 3.27Å; Q89-E104 PolarHBondContact NE2-OE2 2.78Å; Q89-E104 VanDerWaalsContact NE2-OE2 3.07Å; E104-N106 PolarHBondContact O-N 3.39Å |
| 105 | A | 89.3 | Confident | 93.4 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 5% | 0.05 | 32% | 0.323 | C | S | . | . | trans | -75.7 | -4.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S88 F103 L107 I111 Y132 | S88-A105 WeakPolarHBondContact O-CB 3.16Å; S88-A105 PolarHBondContact O-N 2.97Å; F103-A105 HydrophobicContact CE1-CB 4.1Å; A105-L107 HydrophobicContact CB-CD1 3.9Å; A105-L107 HydrophobicContact CB-CG 3.85Å; A105-L107 PolarHBondContact O-N 2.8Å; A105-L107 VanDerWaalsContact O-N 3.11Å; A105-I111 HydrophobicContact CB-CD1 4.2Å; A105-Y132 HydrophobicContact CB-CE2 4.25Å; A105-Y132 PolarHBondContact O-OH 3.2Å | ||
| 106 | N | 84.2 | Confident | 93.5 | Very high | 142 Ų | 142 | 60 Ų | 60 | 76% | 0.759 | 31% | 0.311 | S | S | * | . | trans | 51.4 | 31 | -177.4 | -62.6 | -47.1 | 0 | 0 | 0 | 113.9 | E104 | E104-N106 PolarHBondContact O-N 3.39Š| ||
| 107 | L | 87.1 | Confident | 93.4 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | trans | -79.5 | 145 | 176.7 | -62.4 | 172.9 | 0 | 0 | 0 | 110.5 | A105 E109 I111 V123 A125 I128 N130 | A105-L107 HydrophobicContact CB-CD1 3.9Å; A105-L107 HydrophobicContact CB-CG 3.85Å; A105-L107 PolarHBondContact O-N 2.8Å; A105-L107 VanDerWaalsContact O-N 3.11Å; L107-E109 WeakPolarHBondContact CB-O 3.44Å; L107-E109 PolarHBondContact O-N 2.99Å; L107-I111 HydrophobicContact CD1-CD1 4.47Å; L107-I111 HydrophobicContact CD1-CG1 3.81Å; L107-V123 HydrophobicContact CD1-CG2 4.35Å; L107-A125 HydrophobicContact CD1-CB 4.4Å; L107-I128 HydrophobicContact CD2-CG2 4.05Å; L107-N130 WeakPolarHBondContact CD2-OD1 3.27Å | ||
| 108 | T | 85.6 | Confident | 93.1 | Very high | 132 Ų | 132 | 53.4 Ų | 53.4 | 81% | 0.81 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -72.3 | -18.4 | 174.6 | 52.4 | 0 | 0 | 0 | 0 | 113 | ||
| 109 | E | 89.7 | Confident | 92.9 | Very high | 46 Ų | 46 | 48 Ų | 48 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -120.7 | 164 | -176.7 | -66.2 | 178.1 | -164.4 | 0 | 0 | 110 | L107 A125 S126 K531 | L107-E109 WeakPolarHBondContact CB-O 3.44Å; L107-E109 PolarHBondContact O-N 2.99Å; E109-A125 HydrophobicContact CB-CB 3.94Å; E109-S126 WeakPolarHBondContact OE2-CB 3.37Å; E109-S126 PolarHBondContact OE2-N 3.12Å; E109-S126 PolarHBondContact OE2-OG 3.05Å; E109-K531 IonicContact OE1-NZ 3.54Å; E109-K531 PolarHBondContact OE1-NZ 3.33Å |
| 110 | S | 92.7 | Very high | 92.7 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | trans | -73.5 | 147.4 | 175.5 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | G87 N112 A125 | G87-S110 WeakPolarHBondContact O-CA 3.39Å; S110-N112 PolarHBondContact O-OD1 2.81Å; S110-A125 WeakPolarHBondContact O-CA 3.48Å | ||
| 111 | I | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -74.3 | 126.1 | 173.1 | -59.7 | 165.2 | 0 | 0 | 0 | 108.6 | A67 C85 G87 V90 A105 L107 A113 V123 C124 | A67-I111 VanDerWaalsContact CB-O 3.3Å; A67-I111 WeakPolarHBondContact CB-O 3.39Å; C85-I111 HydrophobicContact CB-CB 4.07Å; C85-I111 HydrophobicContact CB-CG2 3.96Å; G87-I111 PolarHBondContact O-N 2.94Å; V90-I111 HydrophobicContact CG2-CD1 3.79Å; A105-I111 HydrophobicContact CB-CD1 4.2Å; L107-I111 HydrophobicContact CD1-CD1 4.47Å; L107-I111 HydrophobicContact CD1-CG1 3.81Å; I111-A113 VanDerWaalsContact CG2-O 3.29Å; I111-A113 WeakPolarHBondContact CG2-O 3.3Å; I111-V123 HydrophobicContact CD1-CB 4.35Å; I111-V123 HydrophobicContact CD1-CG1 4.25Å; I111-V123 HydrophobicContact CG1-CB 4.42Å; I111-V123 HydrophobicContact CG2-CB 4.01Å; I111-V123 HydrophobicContact CG2-CG1 4.27Å; I111-C124 CarbonylContact C-O 3.55Å; I111-C124 WeakPolarHBondContact CA-O 3.34Å | ||
| 112 | N | 94.6 | Very high | 92.8 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | trans | -112.9 | -21.7 | -177 | -61.1 | -27 | 0 | 0 | 0 | 113 | R68 S110 C124 | R68-N112 WeakPolarHBondContact CD-O 3.47Å; R68-N112 WeakPolarHBondContact CG-O 3.38Å; R68-N112 PolarHBondContact NE-O 3.23Å; S110-N112 PolarHBondContact O-OD1 2.81Å; N112-C124 PolarHBondContact N-O 2.75Å | ||
| 113 | A | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I111 C124 I150 | I111-A113 VanDerWaalsContact CG2-O 3.29Å; I111-A113 WeakPolarHBondContact CG2-O 3.3Å; A113-C124 HydrophobicContact CB-CB 3.98Å; A113-C124 PolarHBondContact N-O 3.04Å; A113-C124 PolarHBondContact O-N 3.36Å; A113-I150 HydrophobicContact CB-CG2 3.83Å |
| 114 | L | 95.9 | Very high | 92.8 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 134.6 | -174.9 | 170.4 | 72.6 | 0 | 0 | 0 | 108.9 | R68 D70 F83 V116 L121 F122 V123 | R68-L114 HydrophobicContact CB-CB 4.18Å; D70-L114 HydrophobicContact CB-CD2 3.9Å; D70-L114 HydrophobicContact CB-CG 4.2Å; F83-L114 HydrophobicContact CB-CD2 3.98Å; L114-V116 HydrophobicContact CD1-CG2 3.93Å; L114-V116 HydrophobicContact CD2-CG2 4.29Å; L114-V116 HydrophobicContact CG-CG2 4.13Å; L114-L121 HydrophobicContact CD1-CD1 3.28Å; L114-F122 WeakPolarHBondContact CA-O 3.15Å; L114-V123 HydrophobicContact CD1-CG1 3.82Å |
| 115 | H | 95.7 | Very high | 92.8 | Very high | 32 Ų | 32 | 32 Ų | 32 | 15% | 0.148 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138.2 | 164.3 | -175 | 70.1 | 0 | 0 | 0 | 110.3 | D70 F122 I150 C152 | D70-H115 WeakPolarHBondContact OD2-CA 3.38Å; D70-H115 IonicContact OD2-ND1 3.23Å; H115-F122 HydrophobicContact CB-CB 4.33Å; H115-F122 HydrophobicContact CB-CD2 4.48Å; H115-F122 AromaticContact CD2-CD2 3.99Å; H115-F122 PolarHBondContact N-O 3.42Å; H115-F122 PolarHBondContact O-N 3Å; H115-I150 HydrophobicContact CB-CG2 4.17Å; H115-C152 VanDerWaalsContact CD2-SG 3.58Å |
| 116 | V | 94.1 | Very high | 93 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.2 | -179.6 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | D70 F83 L114 L121 | D70-V116 HydrophobicContact CB-CG2 4.43Å; D70-V116 PolarHBondContact OD2-N 2.89Å; D70-V116 VanDerWaalsContact OD2-N 3.08Å; F83-V116 HydrophobicContact CB-CG2 4.07Å; F83-V116 HydrophobicContact CD1-CG2 4.44Å; F83-V116 HydrophobicContact CD2-CB 4.39Å; F83-V116 HydrophobicContact CD2-CG1 4.07Å; F83-V116 HydrophobicContact CD2-CG2 4.07Å; F83-V116 HydrophobicContact CE2-CG1 3.84Å; F83-V116 HydrophobicContact CG-CG2 3.96Å; F83-V116 HydrophobicContact CZ-CG1 4.15Å; L114-V116 HydrophobicContact CD1-CG2 3.93Å; L114-V116 HydrophobicContact CD2-CG2 4.29Å; L114-V116 HydrophobicContact CG-CG2 4.13Å; V116-L121 HydrophobicContact CG2-CD1 3.91Å |
| 117 | S | 91 | Very high | 93.5 | Very high | 25 Ų | 25 | 26.9 Ų | 26.9 | 18% | 0.175 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 111.8 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | A119 D120 | S117-A119 PolarHBondContact O-N 3.03Å; S117-A119 VanDerWaalsContact O-N 3.14Å; S117-D120 PolarHBondContact N-O 3.41Å; S117-D120 WeakPolarHBondContact O-CA 3.31Å; S117-D120 WeakPolarHBondContact O-CB 3.2Å; S117-D120 PolarHBondContact O-N 2.8Å |
| 118 | G | 89.3 | Confident | 93.9 | Very high | 22 Ų | 22 | 26.7 Ų | 26.7 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -118.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G73 | G73-G118 VanDerWaalsContact O-CA 3.26Å; G73-G118 WeakPolarHBondContact O-CA 3.48Å; G73-G118 PolarHBondContact O-N 3.32Å |
| 119 | A | 91.3 | Very high | 94.4 | Very high | 43 Ų | 43 | 20.4 Ų | 20.4 | 36% | 0.355 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -9.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | S117 D134 | S117-A119 PolarHBondContact O-N 3.03Å; S117-A119 VanDerWaalsContact O-N 3.14Å; A119-D134 PolarHBondContact O-N 2.81Å |
| 120 | D | 93.9 | Very high | 94.8 | Very high | 43 Ų | 43 | 18.6 Ų | 18.6 | 23% | 0.23 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.4 | -177.2 | -55.6 | -58.4 | 0 | 0 | 0 | 110.1 | S117 F122 H131 Y132 C133 L161 | S117-D120 PolarHBondContact N-O 3.41Å; S117-D120 WeakPolarHBondContact O-CA 3.31Å; S117-D120 WeakPolarHBondContact O-CB 3.2Å; S117-D120 PolarHBondContact O-N 2.8Å; D120-F122 HydrophobicContact CB-CE2 3.66Å; D120-F122 HydrophobicContact CB-CZ 3.89Å; D120-H131 IonicContact OD1-CE1 3.92Å; D120-H131 IonicContact OD1-NE2 2.9Å; D120-H131 PolarHBondContact OD1-NE2 3.49Å; D120-Y132 CarbonylContact C-O 3.56Å; D120-Y132 WeakPolarHBondContact CA-O 3.33Å; D120-C133 PolarHBondContact OD1-SG 3.05Å; D120-L161 HydrophobicContact CB-CD1 4.11Å |
| 121 | L | 95.9 | Very high | 95 | Very high | 11 Ų | 11 | 16.6 Ų | 16.6 | 6% | 0.058 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 111.9 | -176.9 | 171.1 | 67 | 0 | 0 | 0 | 108 | V90 F103 L114 V116 V123 Y132 | V90-L121 HydrophobicContact CG1-CD1 4.35Å; V90-L121 HydrophobicContact CG2-CD2 4.31Å; F103-L121 HydrophobicContact CD1-CD2 3.66Å; F103-L121 HydrophobicContact CE1-CD2 3.94Å; L114-L121 HydrophobicContact CD1-CD1 3.28Å; V116-L121 HydrophobicContact CG2-CD1 3.91Å; L121-V123 HydrophobicContact CD1-CG1 4.04Å; L121-V123 HydrophobicContact CG-CG1 4.08Å; L121-Y132 HydrophobicContact CD2-CD2 4.42Å; L121-Y132 PolarHBondContact N-O 3.24Å; L121-Y132 PolarHBondContact O-N 3.46Å |
| 122 | F | 97 | Very high | 95 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.4 | 178 | -53.2 | -87.4 | 0 | 0 | 0 | 109.3 | L114 H115 D120 Y129 H131 I150 C152 L161 P163 | L114-F122 WeakPolarHBondContact CA-O 3.15Å; H115-F122 HydrophobicContact CB-CB 4.33Å; H115-F122 HydrophobicContact CB-CD2 4.48Å; H115-F122 AromaticContact CD2-CD2 3.99Å; H115-F122 PolarHBondContact N-O 3.42Å; H115-F122 PolarHBondContact O-N 3Å; D120-F122 HydrophobicContact CB-CE2 3.66Å; D120-F122 HydrophobicContact CB-CZ 3.89Å; F122-Y129 HydrophobicContact CB-CE2 4.3Å; F122-Y129 AromaticContact CD1-CE2 3.87Å; F122-Y129 HydrophobicContact CD1-CE2 3.87Å; F122-Y129 AromaticContact CD1-CZ 3.95Å; F122-Y129 VanDerWaalsContact CD1-OH 3.25Å; F122-Y129 WeakPolarHBondContact CD1-OH 3.47Å; F122-Y129 WeakPolarHBondContact CE1-OH 3.49Å; F122-H131 HydrophobicContact CD1-CB 3.9Å; F122-H131 AromaticContact CD1-CD2 3.56Å; F122-H131 AromaticContact CD1-CG 3.78Å; F122-H131 HydrophobicContact CE1-CB 4.01Å; F122-H131 AromaticContact CE1-CD2 3.18Å; F122-H131 WeakPolarHBondContact CE1-CD2 3.4Å; F122-H131 AromaticContact CE1-CG 3.44Å; F122-H131 VanDerWaalsContact CE1-CG 3.44Å; F122-H131 AromaticContact CE1-ND1 3.95Å; F122-H131 AromaticContact CE1-NE2 3.62Å; F122-H131 AromaticContact CZ-CD2 3.61Å; F122-H131 AromaticContact CZ-NE2 3.63Å; F122-I150 HydrophobicContact CB-CD1 3.67Å; F122-I150 HydrophobicContact CG-CD1 4.42Å; F122-C152 WeakPolarHBondContact CD2-SG 3.5Å; F122-C152 HydrophobicContact CE2-CB 4.4Å; F122-C152 VanDerWaalsContact CE2-SG 3.59Å; F122-L161 HydrophobicContact CE2-CD1 3.68Å; F122-L161 HydrophobicContact CZ-CB 4.05Å; F122-L161 HydrophobicContact CZ-CD1 3.77Å; F122-P163 HydrophobicContact CE1-CG 4.29Å |
| 123 | V | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.9 | -179.3 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | V90 L107 I111 L114 L121 N130 Y132 | V90-V123 HydrophobicContact CG2-CG1 4.13Å; L107-V123 HydrophobicContact CD1-CG2 4.35Å; I111-V123 HydrophobicContact CD1-CB 4.35Å; I111-V123 HydrophobicContact CD1-CG1 4.25Å; I111-V123 HydrophobicContact CG1-CB 4.42Å; I111-V123 HydrophobicContact CG2-CB 4.01Å; I111-V123 HydrophobicContact CG2-CG1 4.27Å; L114-V123 HydrophobicContact CD1-CG1 3.82Å; L121-V123 HydrophobicContact CD1-CG1 4.04Å; L121-V123 HydrophobicContact CG-CG1 4.08Å; V123-N130 HydrophobicContact CG2-CB 3.96Å; V123-N130 PolarHBondContact N-O 3.15Å; V123-N130 PolarHBondContact O-N 3.05Å; V123-Y132 HydrophobicContact CG2-CD2 4.14Å; V123-Y132 HydrophobicContact CG2-CE2 3.6Å |
| 124 | C | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.2 | 172.7 | -52.5 | 0 | 0 | 0 | 0 | 110.4 | I111 N112 A113 I128 I147 | I111-C124 CarbonylContact C-O 3.55Å; I111-C124 WeakPolarHBondContact CA-O 3.34Å; N112-C124 PolarHBondContact N-O 2.75Å; A113-C124 HydrophobicContact CB-CB 3.98Å; A113-C124 PolarHBondContact N-O 3.04Å; A113-C124 PolarHBondContact O-N 3.36Å; C124-I128 CarbonylContact C-O 3.54Å; C124-I128 VanDerWaalsContact CA-O 3.25Å; C124-I128 WeakPolarHBondContact CA-O 3.3Å; C124-I147 HydrophobicContact CB-CB 4.28Å; C124-I147 HydrophobicContact CB-CD1 4.31Å; C124-I147 HydrophobicContact CB-CG2 3.82Å |
| 125 | A | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -89.4 | -148 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L107 E109 S110 I128 | L107-A125 HydrophobicContact CD1-CB 4.4Å; E109-A125 HydrophobicContact CB-CB 3.94Å; S110-A125 WeakPolarHBondContact O-CA 3.48Å; A125-I128 HydrophobicContact CB-CB 4.35Å; A125-I128 PolarHBondContact N-O 3.18Å | ||
| 126 | S | 93.3 | Very high | 94.5 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 22% | 0.217 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -73.2 | -41 | -179.7 | -36.3 | 0 | 0 | 0 | 0 | 112.5 | E109 K146 I147 | E109-S126 WeakPolarHBondContact OE2-CB 3.37Å; E109-S126 PolarHBondContact OE2-N 3.12Å; E109-S126 PolarHBondContact OE2-OG 3.05Å; S126-K146 CarbonylContact O-C 3.59Å; S126-K146 WeakPolarHBondContact O-CA 3.49Å; S126-I147 PolarHBondContact O-N 2.77Å |
| 127 | Y | 94.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 33 Ų | 33 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -127.3 | -10.4 | -179.7 | -63.3 | -94.7 | 0 | 0 | 0 | 113 | S143 D145 K146 P529 K531 | Y127-S143 WeakPolarHBondContact O-CB 3.32Å; Y127-S143 PolarHBondContact O-N 2.87Å; Y127-D145 VanDerWaalsContact CD1-C 3.49Å; Y127-D145 WeakPolarHBondContact CD1-O 3.3Å; Y127-K146 HydrophobicContact CE1-CG 3.84Å; Y127-K146 HydrophobicContact CE2-CG 3.9Å; Y127-K146 VanDerWaalsContact CZ-CG 3.5Å; Y127-K146 WeakPolarHBondContact OH-CE 3.49Å; Y127-P529 HydrophobicContact CE1-CB 4.34Å; Y127-K531 HydrophobicContact CD2-CD 3.71Å; Y127-K531 HydrophobicContact CD2-CG 4.48Å; Y127-K531 HydrophobicContact CE1-CB 4.5Å; Y127-K531 HydrophobicContact CE2-CD 3.72Å; Y127-K531 HydrophobicContact CE2-CG 4Å; Y127-K531 HydrophobicContact CG-CD 4.18Å |
| 128 | I | 95.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 130 | -171.8 | -64.1 | 168.3 | 0 | 0 | 0 | 108.2 | L107 C124 A125 N130 Y140 L142 | L107-I128 HydrophobicContact CD2-CG2 4.05Å; C124-I128 CarbonylContact C-O 3.54Å; C124-I128 VanDerWaalsContact CA-O 3.25Å; C124-I128 WeakPolarHBondContact CA-O 3.3Å; A125-I128 HydrophobicContact CB-CB 4.35Å; A125-I128 PolarHBondContact N-O 3.18Å; I128-N130 WeakPolarHBondContact CG2-OD1 3.37Å; I128-Y140 HydrophobicContact CG1-CE2 4.39Å; I128-Y140 HydrophobicContact CG2-CD2 4.02Å; I128-Y140 HydrophobicContact CG2-CE2 3.52Å; I128-L142 HydrophobicContact CG1-CD1 3.89Å |
| 129 | Y | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135.8 | 164.3 | 158.8 | -93.4 | 0 | 0 | 0 | 109.1 | F122 H131 D139 Y140 F141 I150 P163 L165 L175 | F122-Y129 HydrophobicContact CB-CE2 4.3Å; F122-Y129 AromaticContact CD1-CE2 3.87Å; F122-Y129 HydrophobicContact CD1-CE2 3.87Å; F122-Y129 AromaticContact CD1-CZ 3.95Å; F122-Y129 VanDerWaalsContact CD1-OH 3.25Å; F122-Y129 WeakPolarHBondContact CD1-OH 3.47Å; F122-Y129 WeakPolarHBondContact CE1-OH 3.49Å; Y129-H131 HydrophobicContact CE1-CB 4.35Å; Y129-D139 HydrophobicContact CE1-CB 4.32Å; Y129-Y140 WeakPolarHBondContact O-CA 3.27Å; Y129-F141 HydrophobicContact CD1-CB 3.67Å; Y129-F141 HydrophobicContact CG-CB 4.35Å; Y129-F141 PolarHBondContact N-O 2.84Å; Y129-F141 PolarHBondContact O-N 2.99Å; Y129-I150 HydrophobicContact CD2-CD1 3.72Å; Y129-I150 HydrophobicContact CE2-CD1 3.51Å; Y129-P163 HydrophobicContact CE2-CB 4.01Å; Y129-P163 HydrophobicContact CE2-CG 4.37Å; Y129-P163 WeakPolarHBondContact OH-CG 3.36Å; Y129-L165 HydrophobicContact CD2-CD2 3.8Å; Y129-L165 HydrophobicContact CE2-CD2 4.39Å; Y129-L165 HydrophobicContact CG-CD1 4.41Å; Y129-L165 HydrophobicContact CG-CD2 4.35Å; Y129-L175 HydrophobicContact CD1-CD1 3.78Å; Y129-L175 HydrophobicContact CE1-CD1 3.85Å; Y129-L175 HydrophobicContact CG-CD1 4.16Å |
| 130 | N | 96.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 142.2 | 170.4 | -80.8 | 95.8 | 0 | 0 | 0 | 110.8 | L107 V123 I128 Y132 D139 | L107-N130 WeakPolarHBondContact CD2-OD1 3.27Å; V123-N130 HydrophobicContact CG2-CB 3.96Å; V123-N130 PolarHBondContact N-O 3.15Å; V123-N130 PolarHBondContact O-N 3.05Å; I128-N130 WeakPolarHBondContact CG2-OD1 3.37Å; N130-Y132 HydrophobicContact CB-CD2 4.32Å; N130-Y132 HydrophobicContact CB-CE2 3.51Å; N130-D139 WeakPolarHBondContact CA-O 3.41Å |
| 131 | H | 96.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 40 Ų | 40 | 10% | 0.102 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126 | 170.9 | 175 | -147.3 | 0 | 0 | 0 | 109.6 | D120 F122 Y129 Q138 D139 | D120-H131 IonicContact OD1-CE1 3.92Å; D120-H131 IonicContact OD1-NE2 2.9Å; D120-H131 PolarHBondContact OD1-NE2 3.49Å; F122-H131 HydrophobicContact CD1-CB 3.9Å; F122-H131 AromaticContact CD1-CD2 3.56Å; F122-H131 AromaticContact CD1-CG 3.78Å; F122-H131 HydrophobicContact CE1-CB 4.01Å; F122-H131 AromaticContact CE1-CD2 3.18Å; F122-H131 WeakPolarHBondContact CE1-CD2 3.4Å; F122-H131 AromaticContact CE1-CG 3.44Å; F122-H131 VanDerWaalsContact CE1-CG 3.44Å; F122-H131 AromaticContact CE1-ND1 3.95Å; F122-H131 AromaticContact CE1-NE2 3.62Å; F122-H131 AromaticContact CZ-CD2 3.61Å; F122-H131 AromaticContact CZ-NE2 3.63Å; Y129-H131 HydrophobicContact CE1-CB 4.35Å; H131-Q138 PolarHBondContact O-N 2.91Å; H131-D139 HydrophobicContact CB-CB 3.8Å; H131-D139 IonicContact CE1-OD2 2.9Å; H131-D139 IonicContact CG-OD2 3.1Å; H131-D139 PolarHBondContact N-O 2.84Å; H131-D139 IonicContact ND1-OD2 3.61Å; H131-D139 PolarHBondContact ND1-OD2 2.96Å; H131-D139 PolarHBondContact O-N 3.08Å |
| 132 | Y | 95.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.9 | 173.9 | -56.5 | -87.1 | 0 | 0 | 0 | 110.1 | F103 A105 D120 L121 V123 N130 K136 D137 | F103-Y132 HydrophobicContact CE1-CD1 4.02Å; F103-Y132 AromaticContact CE1-CD2 3.8Å; F103-Y132 HydrophobicContact CE1-CD2 3.8Å; F103-Y132 HydrophobicContact CE1-CE1 4.17Å; F103-Y132 AromaticContact CE1-CE2 3.9Å; F103-Y132 HydrophobicContact CE1-CE2 3.9Å; F103-Y132 AromaticContact CE1-CG 3.85Å; F103-Y132 HydrophobicContact CE1-CG 3.85Å; F103-Y132 AromaticContact CZ-CD1 3.53Å; F103-Y132 HydrophobicContact CZ-CD1 3.53Å; F103-Y132 HydrophobicContact CZ-CD2 4.18Å; F103-Y132 AromaticContact CZ-CE1 3.65Å; F103-Y132 HydrophobicContact CZ-CE1 3.65Å; F103-Y132 HydrophobicContact CZ-CE2 4.23Å; F103-Y132 AromaticContact CZ-CG 3.83Å; F103-Y132 HydrophobicContact CZ-CG 3.83Å; F103-Y132 AromaticContact CZ-CZ 4Å; A105-Y132 HydrophobicContact CB-CE2 4.25Å; A105-Y132 PolarHBondContact O-OH 3.2Å; D120-Y132 CarbonylContact C-O 3.56Å; D120-Y132 WeakPolarHBondContact CA-O 3.33Å; L121-Y132 HydrophobicContact CD2-CD2 4.42Å; L121-Y132 PolarHBondContact N-O 3.24Å; L121-Y132 PolarHBondContact O-N 3.46Å; V123-Y132 HydrophobicContact CG2-CD2 4.14Å; V123-Y132 HydrophobicContact CG2-CE2 3.6Å; N130-Y132 HydrophobicContact CB-CD2 4.32Å; N130-Y132 HydrophobicContact CB-CE2 3.51Å; Y132-K136 CarbonylContact C-O 3.58Å; Y132-K136 VanDerWaalsContact CA-O 3.23Å; Y132-K136 WeakPolarHBondContact CA-O 3.37Å; Y132-D137 HydrophobicContact CD1-CB 4.08Å; Y132-D137 HydrophobicContact CE1-CB 3.9Å |
| 133 | C | 94.8 | Very high | 95.2 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 25% | 0.25 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120.4 | 168.9 | -169.6 | 0 | 0 | 0 | 0 | 108.4 | D120 C135 K136 Q138 | D120-C133 PolarHBondContact OD1-SG 3.05Å; C133-C135 VanDerWaalsContact C-N 3.26Å; C133-C135 PolarHBondContact O-N 3.07Å; C133-K136 PolarHBondContact N-O 2.99Å; C133-K136 WeakPolarHBondContact O-CB 3.38Å; C133-K136 PolarHBondContact O-N 2.95Å; C133-Q138 HydrophobicContact CB-CG 3.71Å |
| 134 | D | 92.4 | Very high | 94.9 | Very high | 118 Ų | 118 | 45.8 Ų | 45.8 | 63% | 0.631 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 44.6 | -172.6 | -75.9 | -41 | 0 | 0 | 0 | 113.1 | A119 K136 | A119-D134 PolarHBondContact O-N 2.81Å; D134-K136 PolarHBondContact O-N 2.87Å; D134-K136 VanDerWaalsContact O-N 3.16Å |
| 135 | C | 92.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 35% | 0.345 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 18.5 | -177.9 | -58 | 0 | 0 | 0 | 0 | 114.6 | F103 C133 | F103-C135 HydrophobicContact CD2-CB 3.54Å; F103-C135 HydrophobicContact CE2-CB 3.67Å; F103-C135 WeakPolarHBondContact CE2-O 3.45Å; F103-C135 HydrophobicContact CG-CB 4.22Å; F103-C135 HydrophobicContact CZ-CB 4.43Å; C133-C135 VanDerWaalsContact C-N 3.26Å; C133-C135 PolarHBondContact O-N 3.07Å |
| 136 | K | 94.3 | Very high | 94.8 | Very high | 146 Ų | 146 | 49.8 Ų | 49.8 | 64% | 0.635 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.7 | 171.7 | -61.7 | 175.3 | -175.1 | 169 | 0 | 109.4 | Y132 C133 D134 Q138 | Y132-K136 CarbonylContact C-O 3.58Å; Y132-K136 VanDerWaalsContact CA-O 3.23Å; Y132-K136 WeakPolarHBondContact CA-O 3.37Å; C133-K136 PolarHBondContact N-O 2.99Å; C133-K136 WeakPolarHBondContact O-CB 3.38Å; C133-K136 PolarHBondContact O-N 2.95Å; D134-K136 PolarHBondContact O-N 2.87Å; D134-K136 VanDerWaalsContact O-N 3.16Å; K136-Q138 PolarHBondContact O-N 3.14Å |
| 137 | D | 95.1 | Very high | 95 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 132.3 | 178.8 | -154.4 | -15.6 | 0 | 0 | 0 | 110.2 | Y132 | Y132-D137 HydrophobicContact CD1-CB 4.08Å; Y132-D137 HydrophobicContact CE1-CB 3.9Å |
| 138 | Q | 95.3 | Very high | 95.1 | Very high | 107 Ų | 107 | 49.8 Ų | 49.8 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | -55.1 | -180 | -65 | -60.1 | -35.2 | 0 | 0 | 110.5 | H131 C133 K136 | H131-Q138 PolarHBondContact O-N 2.91Å; C133-Q138 HydrophobicContact CB-CG 3.71Å; K136-Q138 PolarHBondContact O-N 3.14Å |
| 139 | D | 96.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 49 Ų | 49 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.1 | -175.6 | -55 | -76 | 0 | 0 | 0 | 112.3 | Y129 N130 H131 G177 S178 | Y129-D139 HydrophobicContact CE1-CB 4.32Å; N130-D139 WeakPolarHBondContact CA-O 3.41Å; H131-D139 HydrophobicContact CB-CB 3.8Å; H131-D139 IonicContact CE1-OD2 2.9Å; H131-D139 IonicContact CG-OD2 3.1Å; H131-D139 PolarHBondContact N-O 2.84Å; H131-D139 IonicContact ND1-OD2 3.61Å; H131-D139 PolarHBondContact ND1-OD2 2.96Å; H131-D139 PolarHBondContact O-N 3.08Å; D139-G177 VanDerWaalsContact CG-CA 3.44Å; D139-G177 VanDerWaalsContact OD1-C 3.27Å; D139-G177 WeakPolarHBondContact OD1-CA 3.37Å; D139-S178 VanDerWaalsContact CA-OG 3.27Å; D139-S178 WeakPolarHBondContact CA-OG 3.41Å; D139-S178 WeakPolarHBondContact CB-OG 3.5Å; D139-S178 PolarHBondContact OD1-N 2.91Å; D139-S178 PolarHBondContact OD1-OG 2.62Å |
| 140 | Y | 95.8 | Very high | 95.3 | Very high | 109 Ų | 109 | 49.1 Ų | 49.1 | 43% | 0.427 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 134.5 | 178.1 | 170.3 | -92.6 | 0 | 0 | 0 | 110.1 | I128 Y129 L142 S178 | I128-Y140 HydrophobicContact CG1-CE2 4.39Å; I128-Y140 HydrophobicContact CG2-CD2 4.02Å; I128-Y140 HydrophobicContact CG2-CE2 3.52Å; Y129-Y140 WeakPolarHBondContact O-CA 3.27Å; Y140-L142 HydrophobicContact CE1-CB 4.14Å; Y140-S178 PolarHBondContact N-OG 2.6Å; Y140-S178 VanDerWaalsContact N-OG 3.1Å; Y140-S178 VanDerWaalsContact O-CB 3.3Å; Y140-S178 WeakPolarHBondContact O-CB 3.5Å; Y140-S178 PolarHBondContact O-OG 2.9Å |
| 141 | F | 95.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.5 | 173.4 | 179.5 | -103.4 | 0 | 0 | 0 | 110.6 | Y129 L165 L175 L180 | Y129-F141 HydrophobicContact CD1-CB 3.67Å; Y129-F141 HydrophobicContact CG-CB 4.35Å; Y129-F141 PolarHBondContact N-O 2.84Å; Y129-F141 PolarHBondContact O-N 2.99Å; F141-L165 HydrophobicContact CD1-CD1 3.9Å; F141-L165 HydrophobicContact CE1-CD1 4.23Å; F141-L175 HydrophobicContact CB-CD1 3.93Å; F141-L175 HydrophobicContact CD1-CD1 3.98Å; F141-L175 HydrophobicContact CD1-CD2 4.16Å; F141-L175 HydrophobicContact CD2-CD2 4.2Å; F141-L175 HydrophobicContact CE1-CD2 4.16Å; F141-L175 HydrophobicContact CE2-CD2 4.21Å; F141-L175 HydrophobicContact CG-CD1 3.97Å; F141-L175 HydrophobicContact CG-CD2 4.17Å; F141-L175 HydrophobicContact CZ-CD2 4.19Å; F141-L180 HydrophobicContact CE2-CB 4.11Å; F141-L180 HydrophobicContact CZ-CB 4.36Å |
| 142 | L | 94.4 | Very high | 95.1 | Very high | 91 Ų | 91 | 48.1 Ų | 48.1 | 48% | 0.476 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 105.2 | 173.8 | -175.7 | 67.1 | 0 | 0 | 0 | 109 | I128 Y140 | I128-L142 HydrophobicContact CG1-CD1 3.89Å; Y140-L142 HydrophobicContact CE1-CB 4.14Å |
| 143 | S | 93.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | trans | -68.8 | 142.5 | 177.9 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | Y127 D145 R173 | Y127-S143 WeakPolarHBondContact O-CB 3.32Å; Y127-S143 PolarHBondContact O-N 2.87Å; S143-D145 VanDerWaalsContact CB-O 3.23Å; S143-D145 WeakPolarHBondContact CB-O 3.46Å; S143-D145 PolarHBondContact O-N 2.79Å; S143-D145 PolarHBondContact OG-N 3.42Å; S143-D145 PolarHBondContact OG-O 2.86Å; S143-R173 PolarHBondContact OG-NH1 2.84Å | ||
| 144 | G | 90.4 | Very high | 94.1 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -68.6 | -18.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 145 | D | 94.2 | Very high | 93.1 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -137.4 | 173 | 176.1 | -141 | -58 | 0 | 0 | 0 | 111.8 | Y127 S143 D169 R493 | Y127-D145 VanDerWaalsContact CD1-C 3.49Å; Y127-D145 WeakPolarHBondContact CD1-O 3.3Å; S143-D145 VanDerWaalsContact CB-O 3.23Å; S143-D145 WeakPolarHBondContact CB-O 3.46Å; S143-D145 PolarHBondContact O-N 2.79Å; S143-D145 PolarHBondContact OG-N 3.42Å; S143-D145 PolarHBondContact OG-O 2.86Å; D145-D169 HydrophobicContact CB-CB 3.9Å; D145-D169 VanDerWaalsContact CB-CG 3.48Å; D145-R493 IonicContact OD2-CZ 3.49Å; D145-R493 IonicContact OD2-NH1 2.96Å; D145-R493 PolarHBondContact OD2-NH1 3.15Å |
| 146 | K | 95.6 | Very high | 91.8 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | trans | -63.4 | 137.8 | -176.5 | -68.7 | 179.2 | -177.9 | 173.3 | 0 | 111.5 | S126 Y127 C167 Q168 E530 | S126-K146 CarbonylContact O-C 3.59Å; S126-K146 WeakPolarHBondContact O-CA 3.49Å; Y127-K146 HydrophobicContact CE1-CG 3.84Å; Y127-K146 HydrophobicContact CE2-CG 3.9Å; Y127-K146 VanDerWaalsContact CZ-CG 3.5Å; Y127-K146 WeakPolarHBondContact OH-CE 3.49Å; K146-C167 CarbonylContact O-C 3.59Å; K146-C167 VanDerWaalsContact O-CA 3.27Å; K146-C167 WeakPolarHBondContact O-CA 3.38Å; K146-Q168 HydrophobicContact CB-CB 3.94Å; K146-Q168 PolarHBondContact O-N 2.89Å; K146-E530 IonicContact NZ-OE1 2.97Å | ||
| 147 | I | 97.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.1 | 173.9 | -54.6 | 166.8 | 0 | 0 | 0 | 108.3 | C124 S126 L165 | C124-I147 HydrophobicContact CB-CB 4.28Å; C124-I147 HydrophobicContact CB-CD1 4.31Å; C124-I147 HydrophobicContact CB-CG2 3.82Å; S126-I147 PolarHBondContact O-N 2.77Å; I147-L165 HydrophobicContact CD1-CD1 3.99Å; I147-L165 HydrophobicContact CG1-CD1 4.43Å; I147-L165 HydrophobicContact CG2-CB 4.32Å; I147-L165 HydrophobicContact CG2-CD2 4.42Å |
| 148 | N | 97.7 | Very high | 88.9 | Confident | 35 Ų | 35 | 50 Ų | 50 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -39 | -176.6 | -69.7 | -23 | 0 | 0 | 0 | 112.5 | R68 A166 Q168 P190 | R68-N148 PolarHBondContact NH2-O 3.29Å; N148-A166 PolarHBondContact N-O 2.88Å; N148-Q168 PolarHBondContact ND2-OE1 3.2Å; N148-Q168 PolarHBondContact OD1-OE1 3.48Å; N148-P190 VanDerWaalsContact CB-O 3.29Å; N148-P190 WeakPolarHBondContact CB-O 3.38Å; N148-P190 PolarHBondContact ND2-O 2.9Å |
| 149 | D | 98.4 | Very high | 87.6 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 167.2 | 178.4 | -154.2 | 13.7 | 0 | 0 | 0 | 111.6 | K19 R68 A166 V192 L193 | K19-D149 IonicContact NZ-OD2 3.88Å; R68-D149 IonicContact NH2-OD1 2.79Å; D149-A166 HydrophobicContact CB-CB 4.23Å; D149-A166 PolarHBondContact O-N 3.18Å; D149-V192 WeakPolarHBondContact OD2-CA 3.3Å; D149-L193 HydrophobicContact CB-CG 4.5Å; D149-L193 PolarHBondContact OD2-N 2.97Å |
| 150 | I | 97.7 | Very high | 86.8 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.7 | 176.6 | -177.1 | 168.9 | 0 | 0 | 0 | 110.8 | A113 H115 F122 Y129 P163 V164 L165 | A113-I150 HydrophobicContact CB-CG2 3.83Å; H115-I150 HydrophobicContact CB-CG2 4.17Å; F122-I150 HydrophobicContact CB-CD1 3.67Å; F122-I150 HydrophobicContact CG-CD1 4.42Å; Y129-I150 HydrophobicContact CD2-CD1 3.72Å; Y129-I150 HydrophobicContact CE2-CD1 3.51Å; I150-P163 HydrophobicContact CD1-CB 4.39Å; I150-V164 WeakPolarHBondContact CA-O 3.34Å; I150-L165 HydrophobicContact CB-CD2 4.16Å; I150-L165 HydrophobicContact CD1-CD2 3.63Å; I150-L165 HydrophobicContact CG1-CD2 3.85Å |
| 151 | T | 95.2 | Very high | 86.4 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 166.7 | 161.2 | -166.9 | 0 | 0 | 0 | 0 | 109.6 | V164 L193 L195 V204 | T151-V164 HydrophobicContact CG2-CB 4.14Å; T151-V164 PolarHBondContact N-O 2.88Å; T151-V164 VanDerWaalsContact N-O 3.13Å; T151-V164 PolarHBondContact O-N 2.83Å; T151-L193 HydrophobicContact CG2-CB 3.89Å; T151-L193 HydrophobicContact CG2-CD1 4.15Å; T151-L195 HydrophobicContact CG2-CD2 4.24Å; T151-V204 HydrophobicContact CG2-CG1 3.97Å; T151-V204 HydrophobicContact CG2-CG2 4.17Å |
| 152 | C | 92.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 128.9 | 175.4 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | H115 F122 L161 I162 L195 | H115-C152 VanDerWaalsContact CD2-SG 3.58Å; F122-C152 WeakPolarHBondContact CD2-SG 3.5Å; F122-C152 HydrophobicContact CE2-CB 4.4Å; F122-C152 VanDerWaalsContact CE2-SG 3.59Å; C152-L161 HydrophobicContact CB-CB 4.34Å; C152-I162 CarbonylContact C-O 3.51Å; C152-I162 WeakPolarHBondContact CA-O 3.41Å; C152-L195 WeakPolarHBondContact O-CD1 3.47Å |
| 153 | L | 89.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 140.4 | 169.1 | -54.5 | 175.4 | 0 | 0 | 0 | 109.2 | L161 I162 V164 L195 V204 I218 | L153-L161 VanDerWaalsContact O-CA 3.31Å; L153-L161 WeakPolarHBondContact O-CA 3.37Å; L153-L161 WeakPolarHBondContact O-CD2 3.2Å; L153-I162 HydrophobicContact CB-CB 4.18Å; L153-I162 HydrophobicContact CD1-CB 4.36Å; L153-I162 HydrophobicContact CD1-CG2 4.43Å; L153-I162 PolarHBondContact N-O 2.76Å; L153-I162 PolarHBondContact O-N 2.83Å; L153-V164 HydrophobicContact CD1-CG2 4.5Å; L153-V164 HydrophobicContact CG-CG2 4.28Å; L153-L195 HydrophobicContact CD2-CD2 3.66Å; L153-V204 HydrophobicContact CD2-CG2 3.52Å; L153-V204 HydrophobicContact CG-CG2 4.43Å; L153-I218 HydrophobicContact CD1-CB 3.63Å; L153-I218 HydrophobicContact CD1-CD1 3.84Å; L153-I218 HydrophobicContact CD1-CG1 4.25Å; L153-I218 HydrophobicContact CD1-CG2 3.62Å; L153-I218 HydrophobicContact CG-CD1 4.46Å |
| 154 | S | 80.5 | Confident | 86.5 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | trans | -133.3 | 131.6 | 169.9 | -174.2 | 0 | 0 | 0 | 0 | 106.2 | G200 | S154-G200 CarbonylContact O-C 2.88Å; S154-G200 WeakPolarHBondContact O-CA 3.33Å | ||
| 155 | S | 71.5 | Confident | 86.9 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | trans | -143.1 | 148.3 | 175.4 | 169.2 | 0 | 0 | 0 | 0 | 108.1 | K157 L158 | S155-K157 PolarHBondContact O-N 2.86Å; S155-K157 PolarHBondContact OG-N 3.07Å; S155-L158 PolarHBondContact O-N 2.98Å | ||
| 156 | E | 64.9 | Low | 87.1 | Confident | 212 Ų | 212 | 45.2 Ų | 45.2 | 99% | 0.991 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.1 | 174.8 | -66 | -169.2 | 162.7 | 0 | 0 | 112.5 | ||
| 157 | K | 61.8 | Low | 87.2 | Confident | 173 Ų | 173 | 41.6 Ų | 41.6 | 75% | 0.752 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -18.3 | 177.5 | -60 | 177.9 | -173.7 | 168.4 | 0 | 113.3 | S155 | S155-K157 PolarHBondContact O-N 2.86Å; S155-K157 PolarHBondContact OG-N 3.07Å |
| 158 | L | 67.1 | Low | 87.1 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | trans | -96.6 | 123.2 | -175.4 | -70.2 | 173.9 | 0 | 0 | 0 | 110.1 | S155 H160 I162 | S155-L158 PolarHBondContact O-N 2.98Å; L158-H160 PolarHBondContact O-N 3.03Å; L158-I162 HydrophobicContact CD1-CD1 3.65Å; L158-I162 HydrophobicContact CD1-CG1 4.13Å; L158-I162 HydrophobicContact CD2-CD1 3.77Å; L158-I162 HydrophobicContact CG-CD1 4.34Å | ||
| 159 | P | 68.4 | Low | 86.9 | Confident | 110 Ų | 110 | 43.2 Ų | 43.2 | 71% | 0.714 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -70.7 | -20.4 | 180 | 28.2 | -33.9 | 0 | 0 | 0 | 113 | ||
| 160 | H | 78.3 | Confident | 86.8 | Confident | 146 Ų | 146 | 43.7 Ų | 43.7 | 68% | 0.676 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -140 | 155.9 | -177.2 | -58.2 | -58.1 | 0 | 0 | 0 | 110.3 | L158 | L158-H160 PolarHBondContact O-N 3.03Š|
| 161 | L | 88.7 | Confident | 86.8 | Confident | 34 Ų | 34 | 43.9 Ų | 43.9 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | trans | -67.3 | 138 | 172.4 | -64.3 | 173 | 0 | 0 | 0 | 109.9 | D120 F122 C152 L153 P163 | D120-L161 HydrophobicContact CB-CD1 4.11Å; F122-L161 HydrophobicContact CE2-CD1 3.68Å; F122-L161 HydrophobicContact CZ-CB 4.05Å; F122-L161 HydrophobicContact CZ-CD1 3.77Å; C152-L161 HydrophobicContact CB-CB 4.34Å; L153-L161 VanDerWaalsContact O-CA 3.31Å; L153-L161 WeakPolarHBondContact O-CA 3.37Å; L153-L161 WeakPolarHBondContact O-CD2 3.2Å; L161-P163 WeakPolarHBondContact O-CD 3.1Å | ||
| 162 | I | 92.4 | Very high | 87 | Confident | 31 Ų | 31 | 43.6 Ų | 43.6 | 16% | 0.159 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 108.2 | 176.1 | -60.9 | 179.4 | 0 | 0 | 0 | 108.1 | C152 L153 L158 V174 L175 | C152-I162 CarbonylContact C-O 3.51Å; C152-I162 WeakPolarHBondContact CA-O 3.41Å; L153-I162 HydrophobicContact CB-CB 4.18Å; L153-I162 HydrophobicContact CD1-CB 4.36Å; L153-I162 HydrophobicContact CD1-CG2 4.43Å; L153-I162 PolarHBondContact N-O 2.76Å; L153-I162 PolarHBondContact O-N 2.83Å; L158-I162 HydrophobicContact CD1-CD1 3.65Å; L158-I162 HydrophobicContact CD1-CG1 4.13Å; L158-I162 HydrophobicContact CD2-CD1 3.77Å; L158-I162 HydrophobicContact CG-CD1 4.34Å; I162-V174 HydrophobicContact CG2-CG1 3.51Å; I162-L175 WeakPolarHBondContact CG2-O 3.3Å |
| 163 | P | 95.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 137.1 | 175.7 | -2.3 | 17.2 | 0 | 0 | 0 | 110.7 | F122 Y129 I150 L161 L175 | F122-P163 HydrophobicContact CE1-CG 4.29Å; Y129-P163 HydrophobicContact CE2-CB 4.01Å; Y129-P163 HydrophobicContact CE2-CG 4.37Å; Y129-P163 WeakPolarHBondContact OH-CG 3.36Å; I150-P163 HydrophobicContact CD1-CB 4.39Å; L161-P163 WeakPolarHBondContact O-CD 3.1Å; P163-L175 HydrophobicContact CB-CB 4.31Å; P163-L175 WeakPolarHBondContact CD-O 3.46Å; P163-L175 HydrophobicContact CG-CB 4.09Å; P163-L175 PolarHBondContact O-N 2.76Å |
| 164 | V | 97.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.1 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 108 | I150 T151 L153 L172 R173 L193 V204 I218 | I150-V164 WeakPolarHBondContact CA-O 3.34Å; T151-V164 HydrophobicContact CG2-CB 4.14Å; T151-V164 PolarHBondContact N-O 2.88Å; T151-V164 VanDerWaalsContact N-O 3.13Å; T151-V164 PolarHBondContact O-N 2.83Å; L153-V164 HydrophobicContact CD1-CG2 4.5Å; L153-V164 HydrophobicContact CG-CG2 4.28Å; V164-L172 HydrophobicContact CG1-CB 4.17Å; V164-R173 WeakPolarHBondContact CA-O 3.49Å; V164-L193 HydrophobicContact CG1-CD1 4.22Å; V164-L193 WeakPolarHBondContact O-CD1 3.41Å; V164-V204 HydrophobicContact CG2-CG2 4.46Å; V164-I218 HydrophobicContact CB-CD1 4.38Å; V164-I218 HydrophobicContact CG1-CD1 4.08Å; V164-I218 HydrophobicContact CG2-CD1 3.41Å; V164-I218 VanDerWaalsContact CG2-CD1 3.41Å |
| 165 | L | 98.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.5 | -179.9 | -51.6 | -177.8 | 0 | 0 | 0 | 110.2 | Y129 F141 I147 I150 L172 R173 L175 | Y129-L165 HydrophobicContact CD2-CD2 3.8Å; Y129-L165 HydrophobicContact CE2-CD2 4.39Å; Y129-L165 HydrophobicContact CG-CD1 4.41Å; Y129-L165 HydrophobicContact CG-CD2 4.35Å; F141-L165 HydrophobicContact CD1-CD1 3.9Å; F141-L165 HydrophobicContact CE1-CD1 4.23Å; I147-L165 HydrophobicContact CD1-CD1 3.99Å; I147-L165 HydrophobicContact CG1-CD1 4.43Å; I147-L165 HydrophobicContact CG2-CB 4.32Å; I147-L165 HydrophobicContact CG2-CD2 4.42Å; I150-L165 HydrophobicContact CB-CD2 4.16Å; I150-L165 HydrophobicContact CD1-CD2 3.63Å; I150-L165 HydrophobicContact CG1-CD2 3.85Å; L165-L172 CarbonylContact O-C 3.55Å; L165-L172 VanDerWaalsContact O-CA 3.3Å; L165-L172 WeakPolarHBondContact O-CA 3.45Å; L165-R173 HydrophobicContact CB-CB 4.23Å; L165-R173 PolarHBondContact N-O 2.72Å; L165-R173 PolarHBondContact O-N 3.26Å; L165-L175 HydrophobicContact CD1-CD1 3.66Å; L165-L175 HydrophobicContact CD1-CG 4.26Å; L165-L175 HydrophobicContact CG-CD1 4.07Å; L165-L175 HydrophobicContact CG-CG 4.38Å |
| 166 | A | 98.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 118.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109 | N148 D149 L172 P190 L193 | N148-A166 PolarHBondContact N-O 2.88Å; D149-A166 HydrophobicContact CB-CB 4.23Å; D149-A166 PolarHBondContact O-N 3.18Å; A166-L172 HydrophobicContact CB-CD2 4.14Å; A166-P190 HydrophobicContact CB-CB 3.78Å; A166-P190 HydrophobicContact CB-CG 3.81Å; A166-L193 HydrophobicContact CB-CD1 3.69Å; A166-L193 HydrophobicContact CB-CD2 4.09Å; A166-L193 HydrophobicContact CB-CG 3.74Å |
| 167 | C | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 146.2 | -177.5 | -62.6 | 0 | 0 | 0 | 0 | 113.5 | K146 D169 R170 V171 R173 P190 | K146-C167 CarbonylContact O-C 3.59Å; K146-C167 VanDerWaalsContact O-CA 3.27Å; K146-C167 WeakPolarHBondContact O-CA 3.38Å; C167-D169 VanDerWaalsContact CB-OD1 3.22Å; C167-D169 WeakPolarHBondContact CB-OD1 3.19Å; C167-D169 PolarHBondContact O-N 2.95Å; C167-R170 PolarHBondContact O-N 2.9Å; C167-V171 PolarHBondContact N-O 3.45Å; C167-R173 PolarHBondContact SG-NH1 2.9Å; C167-P190 WeakPolarHBondContact O-CD 3.33Å; C167-P190 WeakPolarHBondContact O-CG 3.48Å |
| 168 | Q | 95.9 | Very high | 92 | Very high | 62 Ų | 62 | 32.9 Ų | 32.9 | 29% | 0.29 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.9 | -171.5 | -174.7 | 60.1 | 45.6 | 0 | 0 | 114 | K146 N148 R170 P189 | K146-Q168 HydrophobicContact CB-CB 3.94Å; K146-Q168 PolarHBondContact O-N 2.89Å; N148-Q168 PolarHBondContact ND2-OE1 3.2Å; N148-Q168 PolarHBondContact OD1-OE1 3.48Å; Q168-R170 PolarHBondContact O-N 2.87Å; Q168-P189 WeakPolarHBondContact O-CB 3.46Å |
| 169 | D | 94.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.064 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 23 | 178.3 | 58 | -24 | 0 | 0 | 0 | 115 | D145 C167 R173 R493 H495 | D145-D169 HydrophobicContact CB-CB 3.9Å; D145-D169 VanDerWaalsContact CB-CG 3.48Å; C167-D169 VanDerWaalsContact CB-OD1 3.22Å; C167-D169 WeakPolarHBondContact CB-OD1 3.19Å; C167-D169 PolarHBondContact O-N 2.95Å; D169-R173 VanDerWaalsContact CG-NH2 3.35Å; D169-R173 IonicContact OD1-CZ 3.42Å; D169-R173 IonicContact OD1-NH1 3.76Å; D169-R173 PolarHBondContact OD1-NH1 3.45Å; D169-R173 IonicContact OD1-NH2 2.83Å; D169-R173 PolarHBondContact OD1-NH2 2.97Å; D169-R173 IonicContact OD2-CZ 2.79Å; D169-R173 IonicContact OD2-NH1 2.78Å; D169-R173 IonicContact OD2-NH2 3.41Å; D169-R173 PolarHBondContact OD2-NH2 3.29Å; D169-R493 IonicContact OD2-NH2 3.58Å; D169-R493 PolarHBondContact OD2-NH2 2.85Å; D169-H495 PolarHBondContact O-CE1 2.79Å |
| 170 | R | 96.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 35.3 | 175.4 | -42.8 | 171 | -173.9 | -118 | -18.6 | 113 | C167 Q168 V186 P189 R493 H495 E527 | C167-R170 PolarHBondContact O-N 2.9Å; Q168-R170 PolarHBondContact O-N 2.87Å; R170-V186 HydrophobicContact CB-CG2 4.4Å; R170-V186 WeakPolarHBondContact CB-O 3.41Å; R170-V186 WeakPolarHBondContact O-CG2 3.34Å; R170-V186 PolarHBondContact O-N 3.48Å; R170-P189 HydrophobicContact CG-CG 4.15Å; R170-R493 PolarHBondContact NE-O 3.35Å; R170-H495 PolarHBondContact O-CE1 2.93Å; R170-H495 PolarHBondContact O-NE2 3.07Å; R170-E527 IonicContact CZ-OE2 3.5Å; R170-E527 IonicContact NE-OE2 2.73Å; R170-E527 IonicContact NH2-OE1 2.6Å; R170-E527 PolarHBondContact NH2-OE1 2.9Å; R170-E527 IonicContact NH2-OE2 3.81Å; R170-E527 PolarHBondContact NH2-OE2 2.95Å |
| 171 | V | 97.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.4 | -179.8 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | C167 R173 D183 I184 | C167-V171 PolarHBondContact N-O 3.45Å; V171-R173 HydrophobicContact CG1-CG 4.01Å; V171-D183 HydrophobicContact CG1-CB 3.5Å; V171-D183 VanDerWaalsContact CG1-CB 3.5Å; V171-D183 VanDerWaalsContact CG1-CG 3.49Å; V171-D183 WeakPolarHBondContact CG1-OD1 3.22Å; V171-I184 CarbonylContact C-O 3.57Å; V171-I184 VanDerWaalsContact CA-O 3.31Å; V171-I184 WeakPolarHBondContact CA-O 3.14Å |
| 172 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.3 | 159.8 | -48.6 | 178.5 | 0 | 0 | 0 | 108.3 | V164 L165 A166 I184 V186 P190 L193 Y206 V216 | V164-L172 HydrophobicContact CG1-CB 4.17Å; L165-L172 CarbonylContact O-C 3.55Å; L165-L172 VanDerWaalsContact O-CA 3.3Å; L165-L172 WeakPolarHBondContact O-CA 3.45Å; A166-L172 HydrophobicContact CB-CD2 4.14Å; L172-I184 HydrophobicContact CB-CB 4.11Å; L172-I184 HydrophobicContact CB-CD1 4.35Å; L172-I184 PolarHBondContact N-O 2.75Å; L172-I184 PolarHBondContact O-N 2.93Å; L172-V186 HydrophobicContact CD1-CG1 4.02Å; L172-V186 HydrophobicContact CG-CG1 3.92Å; L172-P190 HydrophobicContact CD2-CB 3.78Å; L172-P190 HydrophobicContact CD2-CG 3.74Å; L172-L193 HydrophobicContact CD1-CD2 4.47Å; L172-L193 HydrophobicContact CD2-CD2 3.77Å; L172-Y206 HydrophobicContact CD1-CD1 4.15Å; L172-Y206 HydrophobicContact CD1-CG 4.38Å; L172-V216 HydrophobicContact CD1-CG2 4.12Å |
| 173 | R | 97.8 | Very high | 95.9 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 116.4 | -179.7 | -58.4 | -170.1 | 159.2 | 92.6 | 12.6 | 109.4 | S143 V164 L165 C167 D169 V171 L180 D183 | S143-R173 PolarHBondContact OG-NH1 2.84Å; V164-R173 WeakPolarHBondContact CA-O 3.49Å; L165-R173 HydrophobicContact CB-CB 4.23Å; L165-R173 PolarHBondContact N-O 2.72Å; L165-R173 PolarHBondContact O-N 3.26Å; C167-R173 PolarHBondContact SG-NH1 2.9Å; D169-R173 VanDerWaalsContact CG-NH2 3.35Å; D169-R173 IonicContact OD1-CZ 3.42Å; D169-R173 IonicContact OD1-NH1 3.76Å; D169-R173 PolarHBondContact OD1-NH1 3.45Å; D169-R173 IonicContact OD1-NH2 2.83Å; D169-R173 PolarHBondContact OD1-NH2 2.97Å; D169-R173 IonicContact OD2-CZ 2.79Å; D169-R173 IonicContact OD2-NH1 2.78Å; D169-R173 IonicContact OD2-NH2 3.41Å; D169-R173 PolarHBondContact OD2-NH2 3.29Å; V171-R173 HydrophobicContact CG1-CG 4.01Å; R173-L180 HydrophobicContact CB-CD1 3.78Å; R173-L180 HydrophobicContact CG-CD1 4.3Å; R173-D183 WeakPolarHBondContact CG-OD1 3.41Å; R173-D183 IonicContact NE-OD1 2.72Å |
| 174 | V | 97 | Very high | 96 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.3 | 176.6 | -175 | 0 | 0 | 0 | 0 | 108.2 | I162 S181 Y182 I184 I218 | I162-V174 HydrophobicContact CG2-CG1 3.51Å; V174-S181 WeakPolarHBondContact O-CB 3.5Å; V174-S181 PolarHBondContact O-N 2.91Å; V174-Y182 HydrophobicContact CB-CD1 4.49Å; V174-Y182 HydrophobicContact CB-CE1 4.23Å; V174-Y182 HydrophobicContact CB-CE2 4.34Å; V174-Y182 HydrophobicContact CG1-CE1 4.18Å; V174-Y182 HydrophobicContact CG2-CD2 4.33Å; V174-Y182 HydrophobicContact CG2-CE1 4.48Å; V174-Y182 HydrophobicContact CG2-CE2 3.83Å; V174-Y182 PolarHBondContact N-O 2.73Å; V174-I184 HydrophobicContact CG2-CD1 3.71Å; V174-I184 HydrophobicContact CG2-CG1 4.24Å; V174-I218 HydrophobicContact CG1-CG2 4.03Å; V174-I218 HydrophobicContact CG2-CD1 4.19Å; V174-I218 HydrophobicContact CG2-CG2 4.19Å |
| 175 | L | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 154.4 | -178 | -59.4 | -171.8 | 0 | 0 | 0 | 111.7 | Y129 F141 I162 P163 L165 E179 L180 | Y129-L175 HydrophobicContact CD1-CD1 3.78Å; Y129-L175 HydrophobicContact CE1-CD1 3.85Å; Y129-L175 HydrophobicContact CG-CD1 4.16Å; F141-L175 HydrophobicContact CB-CD1 3.93Å; F141-L175 HydrophobicContact CD1-CD1 3.98Å; F141-L175 HydrophobicContact CD1-CD2 4.16Å; F141-L175 HydrophobicContact CD2-CD2 4.2Å; F141-L175 HydrophobicContact CE1-CD2 4.16Å; F141-L175 HydrophobicContact CE2-CD2 4.21Å; F141-L175 HydrophobicContact CG-CD1 3.97Å; F141-L175 HydrophobicContact CG-CD2 4.17Å; F141-L175 HydrophobicContact CZ-CD2 4.19Å; I162-L175 WeakPolarHBondContact CG2-O 3.3Å; P163-L175 HydrophobicContact CB-CB 4.31Å; P163-L175 WeakPolarHBondContact CD-O 3.46Å; P163-L175 HydrophobicContact CG-CB 4.09Å; P163-L175 PolarHBondContact O-N 2.76Å; L165-L175 HydrophobicContact CD1-CD1 3.66Å; L165-L175 HydrophobicContact CD1-CG 4.26Å; L165-L175 HydrophobicContact CG-CD1 4.07Å; L165-L175 HydrophobicContact CG-CG 4.38Å; L175-E179 WeakPolarHBondContact CA-O 3.3Å; L175-L180 HydrophobicContact CD2-CB 4.24Å; L175-L180 HydrophobicContact CD2-CD1 3.93Å |
| 176 | Q | 91.6 | Very high | 95.8 | Very high | 141 Ų | 141 | 40.9 Ų | 40.9 | 66% | 0.659 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 103.6 | 164.1 | -171.9 | 173.5 | 26.6 | 0 | 0 | 108.3 | S178 E179 S181 | Q176-S178 PolarHBondContact O-N 2.75Å; Q176-E179 PolarHBondContact N-O 2.92Å; Q176-E179 PolarHBondContact O-N 3.46Å; Q176-S181 WeakPolarHBondContact CB-OG 3.47Å |
| 177 | G | 90.4 | Very high | 95.6 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 24% | 0.237 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -119.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D139 | D139-G177 VanDerWaalsContact CG-CA 3.44Å; D139-G177 VanDerWaalsContact OD1-C 3.27Å; D139-G177 WeakPolarHBondContact OD1-CA 3.37Å |
| 178 | S | 95.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 37% | 0.371 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.1 | -180 | -59.3 | 0 | 0 | 0 | 0 | 114.3 | D139 Y140 Q176 | D139-S178 VanDerWaalsContact CA-OG 3.27Å; D139-S178 WeakPolarHBondContact CA-OG 3.41Å; D139-S178 WeakPolarHBondContact CB-OG 3.5Å; D139-S178 PolarHBondContact OD1-N 2.91Å; D139-S178 PolarHBondContact OD1-OG 2.62Å; Y140-S178 PolarHBondContact N-OG 2.6Å; Y140-S178 VanDerWaalsContact N-OG 3.1Å; Y140-S178 VanDerWaalsContact O-CB 3.3Å; Y140-S178 WeakPolarHBondContact O-CB 3.5Å; Y140-S178 PolarHBondContact O-OG 2.9Å; Q176-S178 PolarHBondContact O-N 2.75Å |
| 179 | E | 94.6 | Very high | 95.4 | Very high | 151 Ų | 151 | 40.1 Ų | 40.1 | 71% | 0.706 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.8 | -175.1 | -64.5 | -173 | 175.1 | 0 | 0 | 112.1 | L175 Q176 S181 | L175-E179 WeakPolarHBondContact CA-O 3.3Å; Q176-E179 PolarHBondContact N-O 2.92Å; Q176-E179 PolarHBondContact O-N 3.46Å; E179-S181 PolarHBondContact O-N 2.8Å |
| 180 | L | 95.1 | Very high | 95.5 | Very high | 71 Ų | 71 | 39.5 Ų | 39.5 | 37% | 0.372 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 121.5 | 170.2 | 178 | 66 | 0 | 0 | 0 | 109.1 | F141 R173 L175 | F141-L180 HydrophobicContact CE2-CB 4.11Å; F141-L180 HydrophobicContact CZ-CB 4.36Å; R173-L180 HydrophobicContact CB-CD1 3.78Å; R173-L180 HydrophobicContact CG-CD1 4.3Å; L175-L180 HydrophobicContact CD2-CB 4.24Å; L175-L180 HydrophobicContact CD2-CD1 3.93Å |
| 181 | S | 94.7 | Very high | 95.6 | Very high | 55 Ų | 55 | 39.4 Ų | 39.4 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -58.5 | 175 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | V174 Q176 E179 | V174-S181 WeakPolarHBondContact O-CB 3.5Å; V174-S181 PolarHBondContact O-N 2.91Å; Q176-S181 WeakPolarHBondContact CB-OG 3.47Å; E179-S181 PolarHBondContact O-N 2.8Å |
| 182 | Y | 96.3 | Very high | 95.6 | Very high | 30 Ų | 30 | 39 Ų | 39 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 165 | 175.2 | 59.6 | -88.7 | 0 | 0 | 0 | 111.2 | V174 I184 I218 G219 D222 A223 | V174-Y182 HydrophobicContact CB-CD1 4.49Å; V174-Y182 HydrophobicContact CB-CE1 4.23Å; V174-Y182 HydrophobicContact CB-CE2 4.34Å; V174-Y182 HydrophobicContact CG1-CE1 4.18Å; V174-Y182 HydrophobicContact CG2-CD2 4.33Å; V174-Y182 HydrophobicContact CG2-CE1 4.48Å; V174-Y182 HydrophobicContact CG2-CE2 3.83Å; V174-Y182 PolarHBondContact N-O 2.73Å; Y182-I184 HydrophobicContact CD2-CG1 4.05Å; Y182-I184 HydrophobicContact CE2-CD1 4.03Å; Y182-I184 HydrophobicContact CE2-CG1 3.75Å; Y182-I218 WeakPolarHBondContact OH-CG2 3.29Å; Y182-G219 PolarHBondContact OH-N 2.93Å; Y182-G219 PolarHBondContact OH-O 2.87Å; Y182-D222 PolarHBondContact OH-O 2.86Å; Y182-D222 VanDerWaalsContact OH-O 3.07Å; Y182-A223 HydrophobicContact CE2-CB 3.88Å |
| 183 | D | 96.3 | Very high | 95.6 | Very high | 78 Ų | 78 | 39 Ų | 39 | 42% | 0.417 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 141.4 | 179.2 | -78.8 | -19.9 | 0 | 0 | 0 | 110.1 | V171 R173 | V171-D183 HydrophobicContact CG1-CB 3.5Å; V171-D183 VanDerWaalsContact CG1-CB 3.5Å; V171-D183 VanDerWaalsContact CG1-CG 3.49Å; V171-D183 WeakPolarHBondContact CG1-OD1 3.22Å; R173-D183 WeakPolarHBondContact CG-OD1 3.41Å; R173-D183 IonicContact NE-OD1 2.72Å |
| 184 | I | 97.1 | Very high | 95.5 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.3 | 173.6 | -50.6 | 168.8 | 0 | 0 | 0 | 108 | V171 L172 V174 Y182 V216 I218 A223 | V171-I184 CarbonylContact C-O 3.57Å; V171-I184 VanDerWaalsContact CA-O 3.31Å; V171-I184 WeakPolarHBondContact CA-O 3.14Å; L172-I184 HydrophobicContact CB-CB 4.11Å; L172-I184 HydrophobicContact CB-CD1 4.35Å; L172-I184 PolarHBondContact N-O 2.75Å; L172-I184 PolarHBondContact O-N 2.93Å; V174-I184 HydrophobicContact CG2-CD1 3.71Å; V174-I184 HydrophobicContact CG2-CG1 4.24Å; Y182-I184 HydrophobicContact CD2-CG1 4.05Å; Y182-I184 HydrophobicContact CE2-CD1 4.03Å; Y182-I184 HydrophobicContact CE2-CG1 3.75Å; I184-V216 HydrophobicContact CD1-CG1 4.37Å; I184-V216 HydrophobicContact CG2-CG1 4.05Å; I184-I218 HydrophobicContact CD1-CD1 4.37Å; I184-I218 HydrophobicContact CD1-CG1 4.1Å; I184-A223 HydrophobicContact CD1-CB 3.39Å; I184-A223 HydrophobicContact CG1-CB 3.71Å; I184-A223 HydrophobicContact CG2-CB 4.39Å |
| 185 | E | 96.2 | Very high | 95.3 | Very high | 123 Ų | 123 | 40.1 Ų | 40.1 | 58% | 0.575 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 136 | 176 | -62.4 | -176.2 | -176.2 | 0 | 0 | 110.8 | H495 | E185-H495 VanDerWaalsContact CD-CB 3.5Å; E185-H495 VanDerWaalsContact CD-CG 3.43Å; E185-H495 HydrophobicContact CG-CB 4.36Å; E185-H495 VanDerWaalsContact OE1-CB 3.32Å; E185-H495 WeakPolarHBondContact OE1-CB 3.2Å; E185-H495 IonicContact OE1-CG 2.82Å; E185-H495 IonicContact OE2-CD2 3.96Å; E185-H495 PolarHBondContact OE2-CD2 2.94Å; E185-H495 IonicContact OE2-CG 3.82Å |
| 186 | V | 96.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | trans | -128.5 | 154.2 | 175.6 | -69.8 | 0 | 0 | 0 | 0 | 110.5 | R170 L172 G188 P190 Y206 | R170-V186 HydrophobicContact CB-CG2 4.4Å; R170-V186 WeakPolarHBondContact CB-O 3.41Å; R170-V186 WeakPolarHBondContact O-CG2 3.34Å; R170-V186 PolarHBondContact O-N 3.48Å; L172-V186 HydrophobicContact CD1-CG1 4.02Å; L172-V186 HydrophobicContact CG-CG1 3.92Å; V186-G188 WeakPolarHBondContact CG2-O 3.39Å; V186-G188 PolarHBondContact O-N 2.95Å; V186-G188 VanDerWaalsContact O-N 3.07Å; V186-P190 HydrophobicContact CG2-CB 4.42Å; V186-P190 HydrophobicContact CG2-CG 4.05Å; V186-Y206 HydrophobicContact CB-CD2 4.38Å; V186-Y206 HydrophobicContact CB-CE2 3.94Å; V186-Y206 HydrophobicContact CG1-CD1 4.42Å; V186-Y206 HydrophobicContact CG1-CD2 4.08Å; V186-Y206 HydrophobicContact CG1-CE1 4.12Å; V186-Y206 HydrophobicContact CG1-CE2 3.75Å; V186-Y206 HydrophobicContact CG1-CG 4.39Å | ||
| 187 | P | 92.6 | Very high | 94.3 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 25% | 0.253 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -73.4 | -4.3 | -167.7 | 27.9 | -38.5 | 0 | 0 | 0 | 115.2 | K212 E228 | P187-K212 HydrophobicContact CB-CD 3.68Å; P187-K212 HydrophobicContact CG-CB 4.48Å; P187-K212 HydrophobicContact CG-CD 3.54Å; P187-K212 PolarHBondContact O-NZ 2.68Å; P187-K212 VanDerWaalsContact O-NZ 3.07Å; P187-E228 WeakPolarHBondContact CD-OE1 3.35Å; P187-E228 WeakPolarHBondContact CG-OE1 3.3Å |
| 188 | G | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -165.5 | 167.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V186 P190 T208 | V186-G188 WeakPolarHBondContact CG2-O 3.39Å; V186-G188 PolarHBondContact O-N 2.95Å; V186-G188 VanDerWaalsContact O-N 3.07Å; G188-P190 WeakPolarHBondContact O-CD 3.18Å; G188-P190 VanDerWaalsContact O-N 3.12Å; G188-T208 WeakPolarHBondContact O-CG2 3.38Å |
| 189 | P | 96.1 | Very high | 92 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | trans | -62.1 | 116.4 | -176.7 | -22.9 | 33 | 0 | 0 | 0 | 111.2 | Q168 R170 T208 T209 | Q168-P189 WeakPolarHBondContact O-CB 3.46Å; R170-P189 HydrophobicContact CG-CG 4.15Å; P189-T208 CarbonylContact O-C 3.58Å; P189-T208 VanDerWaalsContact O-CA 3.3Å; P189-T208 WeakPolarHBondContact O-CA 3.37Å; P189-T209 HydrophobicContact CB-CG2 4.35Å; P189-T209 WeakPolarHBondContact CB-OG1 3.39Å; P189-T209 WeakPolarHBondContact CD-OG1 3.39Å; P189-T209 PolarHBondContact O-N 3.24Å; P189-T209 PolarHBondContact O-OG1 3.19Å | ||
| 190 | P | 97.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 130 | 179.5 | 28.8 | -35.8 | 0 | 0 | 0 | 110.3 | N148 A166 C167 L172 V186 G188 G207 | N148-P190 VanDerWaalsContact CB-O 3.29Å; N148-P190 WeakPolarHBondContact CB-O 3.38Å; N148-P190 PolarHBondContact ND2-O 2.9Å; A166-P190 HydrophobicContact CB-CB 3.78Å; A166-P190 HydrophobicContact CB-CG 3.81Å; C167-P190 WeakPolarHBondContact O-CD 3.33Å; C167-P190 WeakPolarHBondContact O-CG 3.48Å; L172-P190 HydrophobicContact CD2-CB 3.78Å; L172-P190 HydrophobicContact CD2-CG 3.74Å; V186-P190 HydrophobicContact CG2-CB 4.42Å; V186-P190 HydrophobicContact CG2-CG 4.05Å; G188-P190 WeakPolarHBondContact O-CD 3.18Å; G188-P190 VanDerWaalsContact O-N 3.12Å; P190-G207 CarbonylContact C-O 3.55Å; P190-G207 WeakPolarHBondContact CA-O 3.45Å |
| 191 | S | 97.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -19.4 | -177.3 | 42 | 0 | 0 | 0 | 0 | 113.8 | Q18 G207 I238 | Q18-S191 PolarHBondContact NE2-O 3.49Å; S191-G207 PolarHBondContact N-O 3.16Å; S191-G207 PolarHBondContact OG-O 3.44Å; S191-G207 VanDerWaalsContact OG-O 3.13Å; S191-I238 WeakPolarHBondContact CB-O 3.23Å; S191-I238 PolarHBondContact OG-O 2.96Å |
| 192 | V | 98.3 | Very high | 89 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 143.8 | 178.4 | 60.1 | 0 | 0 | 0 | 0 | 111 | K19 D149 Y206 G207 I238 I241 | K19-V192 HydrophobicContact CD-CG2 3.89Å; D149-V192 WeakPolarHBondContact OD2-CA 3.3Å; V192-Y206 WeakPolarHBondContact O-CA 3.31Å; V192-G207 PolarHBondContact N-O 3Å; V192-G207 PolarHBondContact O-N 3.03Å; V192-I238 HydrophobicContact CG1-CG2 3.73Å; V192-I241 HydrophobicContact CG1-CD1 3.89Å; V192-I241 HydrophobicContact CG1-CG1 3.89Å |
| 193 | L | 97.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 147.4 | 170.8 | -58.8 | 176.4 | 0 | 0 | 0 | 110.3 | K19 D149 T151 V164 A166 L172 V204 L205 | K19-L193 PolarHBondContact NZ-O 3.22Å; D149-L193 HydrophobicContact CB-CG 4.5Å; D149-L193 PolarHBondContact OD2-N 2.97Å; T151-L193 HydrophobicContact CG2-CB 3.89Å; T151-L193 HydrophobicContact CG2-CD1 4.15Å; V164-L193 HydrophobicContact CG1-CD1 4.22Å; V164-L193 WeakPolarHBondContact O-CD1 3.41Å; A166-L193 HydrophobicContact CB-CD1 3.69Å; A166-L193 HydrophobicContact CB-CD2 4.09Å; A166-L193 HydrophobicContact CB-CG 3.74Å; L172-L193 HydrophobicContact CD1-CD2 4.47Å; L172-L193 HydrophobicContact CD2-CD2 3.77Å; L193-V204 HydrophobicContact CB-CG1 4.32Å; L193-V204 HydrophobicContact CD2-CG1 3.94Å; L193-L205 WeakPolarHBondContact CA-O 3.25Å |
| 194 | E | 95.6 | Very high | 88.7 | Confident | 20 Ų | 20 | 33.4 Ų | 33.4 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 147.2 | 171 | -162.4 | 63.5 | -152.2 | 0 | 0 | 109.9 | K19 L205 I241 | K19-E194 IonicContact NZ-OE2 3.5Å; K19-E194 PolarHBondContact NZ-OE2 2.99Å; E194-L205 PolarHBondContact N-O 2.79Å; E194-L205 PolarHBondContact O-N 2.7Å; E194-I241 HydrophobicContact CB-CB 4.31Å; E194-I241 HydrophobicContact CB-CG2 4.2Å |
| 195 | L | 92.5 | Very high | 88.7 | Confident | 24 Ų | 24 | 32.9 Ų | 32.9 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 132.8 | 175 | -63.3 | 177.3 | 0 | 0 | 0 | 110 | T151 C152 L153 V204 | T151-L195 HydrophobicContact CG2-CD2 4.24Å; C152-L195 WeakPolarHBondContact O-CD1 3.47Å; L153-L195 HydrophobicContact CD2-CD2 3.66Å; L195-V204 HydrophobicContact CD2-CG2 4.38Å |
| 196 | F | 88.9 | Confident | 88.8 | Confident | 21 Ų | 21 | 27 Ų | 27 | 9% | 0.092 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 136.1 | 171.6 | -169.7 | -116.6 | 0 | 0 | 0 | 110.3 | K198 E203 L205 L215 T243 I254 F268 | F196-K198 PolarHBondContact O-N 3.38Å; F196-E203 HydrophobicContact CB-CB 3.96Å; F196-E203 WeakPolarHBondContact CD1-OE2 3.03Å; F196-E203 PolarHBondContact N-O 2.77Å; F196-L205 HydrophobicContact CB-CG 4.37Å; F196-L205 HydrophobicContact CD2-CD1 3.88Å; F196-L205 HydrophobicContact CD2-CG 4.29Å; F196-L215 HydrophobicContact CB-CD1 3.91Å; F196-L215 HydrophobicContact CG-CD1 4.25Å; F196-T243 HydrophobicContact CD2-CG2 4.03Å; F196-I254 HydrophobicContact CE2-CG1 4.45Å; F196-F268 AromaticContact CE2-CE2 3.84Å; F196-F268 HydrophobicContact CE2-CE2 3.84Å; F196-F268 AromaticContact CE2-CZ 3.63Å; F196-F268 HydrophobicContact CE2-CZ 3.63Å; F196-F268 AromaticContact CZ-CE2 3.7Å; F196-F268 HydrophobicContact CZ-CE2 3.7Å; F196-F268 AromaticContact CZ-CZ 3.58Å; F196-F268 HydrophobicContact CZ-CZ 3.58Å |
| 197 | N | 79.1 | Confident | 88.9 | Confident | 53 Ų | 53 | 26.8 Ų | 26.8 | 28% | 0.283 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 0.4 | -178.6 | -68.4 | -36.8 | 0 | 0 | 0 | 117.9 | D199 N252 | N197-D199 PolarHBondContact O-N 3.08Å; N197-N252 WeakPolarHBondContact OD1-CB 3.47Å; N197-N252 PolarHBondContact OD1-ND2 3.42Å |
| 198 | K | 72.9 | Confident | 89.1 | Confident | 90 Ų | 90 | 24.9 Ų | 24.9 | 39% | 0.391 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 54.5 | -1.4 | 174.8 | -62.2 | 174.4 | 179.3 | 163.7 | 0 | 116.9 | F196 G200 D242 T243 | F196-K198 PolarHBondContact O-N 3.38Å; K198-G200 PolarHBondContact O-N 3.5Å; K198-D242 WeakPolarHBondContact CE-OD1 3.3Å; K198-D242 VanDerWaalsContact NZ-CG 3.29Å; K198-D242 IonicContact NZ-OD1 3.79Å; K198-D242 PolarHBondContact NZ-OD1 2.91Å; K198-D242 IonicContact NZ-OD2 3.99Å; K198-D242 PolarHBondContact NZ-OD2 3.39Å; K198-T243 PolarHBondContact NZ-O 3.42Å |
| 199 | D | 62.6 | Low | 89.2 | Confident | 151 Ų | 151 | 26.6 Ų | 26.6 | 81% | 0.807 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -95.9 | 24.2 | -172.1 | -71.9 | -25.3 | 0 | 0 | 0 | 113.7 | N197 | N197-D199 PolarHBondContact O-N 3.08Š|
| 200 | G | 60.6 | Low | 89 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 24% | 0.237 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 75.2 | 47.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | S154 K198 | S154-G200 CarbonylContact O-C 2.88Å; S154-G200 WeakPolarHBondContact O-CA 3.33Å; K198-G200 PolarHBondContact O-N 3.5Å |
| 201 | G | 73.5 | Confident | 88.8 | Confident | 29 Ų | 29 | 28.8 Ų | 28.8 | 30% | 0.299 | 16% | 0.159 | S | C | . | . | trans | -87 | 174.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E203 | G201-E203 VanDerWaalsContact C-N 3.28Š| ||
| 202 | E | 87.3 | Confident | 88.7 | Confident | 55 Ų | 55 | 30.2 Ų | 30.2 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -91.5 | 14 | 173.7 | -73.3 | 163.2 | -162.2 | 0 | 0 | 112 | Q217 I218 | E202-Q217 HydrophobicContact CB-CG 4.36Å; E202-Q217 CarbonylContact O-C 3.52Å; E202-Q217 WeakPolarHBondContact O-CA 3.39Å; E202-I218 WeakPolarHBondContact CB-O 3.45Å; E202-I218 PolarHBondContact O-N 3.05Å |
| 203 | E | 92.2 | Very high | 88.7 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 19% | 0.187 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.8 | -168.5 | -69.6 | 178.4 | -172 | 0 | 0 | 111.7 | F196 G201 L215 V216 Q217 K226 | F196-E203 HydrophobicContact CB-CB 3.96Å; F196-E203 WeakPolarHBondContact CD1-OE2 3.03Å; F196-E203 PolarHBondContact N-O 2.77Å; G201-E203 VanDerWaalsContact C-N 3.28Å; E203-L215 HydrophobicContact CB-CD1 4.02Å; E203-V216 WeakPolarHBondContact CA-O 3.41Å; E203-Q217 HydrophobicContact CG-CB 4.26Å; E203-Q217 HydrophobicContact CG-CG 4.23Å; E203-K226 WeakPolarHBondContact OE1-CE 3.38Å; E203-K226 IonicContact OE1-NZ 2.62Å; E203-K226 PolarHBondContact OE1-NZ 2.93Å |
| 204 | V | 95.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.1 | -178.7 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | T151 L153 V164 L193 L195 V216 I218 | T151-V204 HydrophobicContact CG2-CG1 3.97Å; T151-V204 HydrophobicContact CG2-CG2 4.17Å; L153-V204 HydrophobicContact CD2-CG2 3.52Å; L153-V204 HydrophobicContact CG-CG2 4.43Å; V164-V204 HydrophobicContact CG2-CG2 4.46Å; L193-V204 HydrophobicContact CB-CG1 4.32Å; L193-V204 HydrophobicContact CD2-CG1 3.94Å; L195-V204 HydrophobicContact CD2-CG2 4.38Å; V204-V216 PolarHBondContact N-O 3.29Å; V204-V216 PolarHBondContact O-N 2.99Å; V204-I218 HydrophobicContact CB-CD1 4.34Å; V204-I218 HydrophobicContact CG2-CD1 3.6Å; V204-I218 HydrophobicContact CG2-CG1 4.42Å |
| 205 | L | 96.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 134.6 | 164.4 | -73.4 | 169.5 | 0 | 0 | 0 | 109.2 | L193 E194 F196 I213 G214 L215 W227 I241 T243 I254 | L193-L205 WeakPolarHBondContact CA-O 3.25Å; E194-L205 PolarHBondContact N-O 2.79Å; E194-L205 PolarHBondContact O-N 2.7Å; F196-L205 HydrophobicContact CB-CG 4.37Å; F196-L205 HydrophobicContact CD2-CD1 3.88Å; F196-L205 HydrophobicContact CD2-CG 4.29Å; L205-I213 HydrophobicContact CD2-CG2 4.42Å; L205-G214 WeakPolarHBondContact CA-O 3.47Å; L205-L215 HydrophobicContact CD2-CB 4.07Å; L205-L215 HydrophobicContact CD2-CD1 3.75Å; L205-L215 HydrophobicContact CD2-CG 4.48Å; L205-L215 HydrophobicContact CG-CD1 3.92Å; L205-W227 HydrophobicContact CD2-CH2 3.52Å; L205-W227 HydrophobicContact CD2-CZ2 3.8Å; L205-I241 HydrophobicContact CB-CG2 4.48Å; L205-I241 HydrophobicContact CD1-CG2 4.07Å; L205-T243 HydrophobicContact CD1-CG2 3.55Å; L205-I254 HydrophobicContact CD1-CD1 4.47Å; L205-I254 HydrophobicContact CD1-CG1 4.25Å; L205-I254 HydrophobicContact CD1-CG2 4.26Å; L205-I254 HydrophobicContact CD2-CD1 4.01Å |
| 206 | Y | 98.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.8 | 168.3 | 64.4 | -82.7 | 0 | 0 | 0 | 110.7 | L172 V186 V192 T208 I213 G214 V216 E228 | L172-Y206 HydrophobicContact CD1-CD1 4.15Å; L172-Y206 HydrophobicContact CD1-CG 4.38Å; V186-Y206 HydrophobicContact CB-CD2 4.38Å; V186-Y206 HydrophobicContact CB-CE2 3.94Å; V186-Y206 HydrophobicContact CG1-CD1 4.42Å; V186-Y206 HydrophobicContact CG1-CD2 4.08Å; V186-Y206 HydrophobicContact CG1-CE1 4.12Å; V186-Y206 HydrophobicContact CG1-CE2 3.75Å; V186-Y206 HydrophobicContact CG1-CG 4.39Å; V192-Y206 WeakPolarHBondContact O-CA 3.31Å; Y206-T208 HydrophobicContact CD2-CG2 3.89Å; Y206-T208 HydrophobicContact CE2-CG2 4.07Å; Y206-I213 WeakPolarHBondContact O-CA 3.3Å; Y206-G214 VanDerWaalsContact CD1-O 3.27Å; Y206-G214 WeakPolarHBondContact CD1-O 3.45Å; Y206-G214 WeakPolarHBondContact CE1-O 3.38Å; Y206-G214 VanDerWaalsContact CZ-CA 3.47Å; Y206-G214 PolarHBondContact N-O 3.16Å; Y206-G214 PolarHBondContact O-N 2.83Å; Y206-V216 HydrophobicContact CD1-CG2 3.65Å; Y206-V216 HydrophobicContact CE1-CG2 3.35Å; Y206-E228 WeakPolarHBondContact OH-CG 3.41Å; Y206-E228 PolarHBondContact OH-OE1 3.24Å |
| 207 | G | 98.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 141.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P190 S191 V192 K212 | P190-G207 CarbonylContact C-O 3.55Å; P190-G207 WeakPolarHBondContact CA-O 3.45Å; S191-G207 PolarHBondContact N-O 3.16Å; S191-G207 PolarHBondContact OG-O 3.44Å; S191-G207 VanDerWaalsContact OG-O 3.13Å; V192-G207 PolarHBondContact N-O 3Å; V192-G207 PolarHBondContact O-N 3.03Å; G207-K212 WeakPolarHBondContact CA-O 3.45Å |
| 208 | T | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 159.3 | -179 | 66.8 | 0 | 0 | 0 | 0 | 113.1 | G188 P189 Y206 D210 G211 K212 I238 | G188-T208 WeakPolarHBondContact O-CG2 3.38Å; P189-T208 CarbonylContact O-C 3.58Å; P189-T208 VanDerWaalsContact O-CA 3.3Å; P189-T208 WeakPolarHBondContact O-CA 3.37Å; Y206-T208 HydrophobicContact CD2-CG2 3.89Å; Y206-T208 HydrophobicContact CE2-CG2 4.07Å; T208-D210 WeakPolarHBondContact CB-OD1 3.4Å; T208-D210 PolarHBondContact O-N 3.22Å; T208-D210 PolarHBondContact OG1-OD1 3.32Å; T208-G211 PolarHBondContact O-N 3.47Å; T208-G211 PolarHBondContact OG1-N 3.05Å; T208-K212 HydrophobicContact CG2-CB 4.41Å; T208-K212 PolarHBondContact N-O 3.2Å; T208-K212 WeakPolarHBondContact OG1-CB 3.27Å; T208-K212 PolarHBondContact OG1-N 3.23Å; T208-K212 PolarHBondContact OG1-O 2.94Å; T208-I238 PolarHBondContact O-N 3.13Å |
| 209 | T | 94.4 | Very high | 90.5 | Very high | 36 Ų | 36 | 25.5 Ų | 25.5 | 22% | 0.221 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.7 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | P189 G237 K381 | P189-T209 HydrophobicContact CB-CG2 4.35Å; P189-T209 WeakPolarHBondContact CB-OG1 3.39Å; P189-T209 WeakPolarHBondContact CD-OG1 3.39Å; P189-T209 PolarHBondContact O-N 3.24Å; P189-T209 PolarHBondContact O-OG1 3.19Å; T209-G237 WeakPolarHBondContact O-CA 3.49Å; T209-K381 PolarHBondContact O-NZ 3.24Å |
| 210 | D | 91.8 | Very high | 91.5 | Very high | 51 Ų | 51 | 25 Ų | 25 | 27% | 0.273 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 4.5 | 172 | 66.3 | -26.1 | 0 | 0 | 0 | 112.9 | T208 K212 N231 | T208-D210 WeakPolarHBondContact CB-OD1 3.4Å; T208-D210 PolarHBondContact O-N 3.22Å; T208-D210 PolarHBondContact OG1-OD1 3.32Å; D210-K212 WeakPolarHBondContact OD2-CE 3.39Å; D210-K212 IonicContact OD2-NZ 3.84Å; D210-K212 PolarHBondContact OD2-NZ 2.91Å; D210-N231 PolarHBondContact O-ND2 2.84Å |
| 211 | G | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 92.7 | 18.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116 | T208 I238 R258 | T208-G211 PolarHBondContact O-N 3.47Å; T208-G211 PolarHBondContact OG1-N 3.05Å; G211-I238 VanDerWaalsContact C-CD1 3.47Å; G211-R258 VanDerWaalsContact CA-NH1 3.3Å; G211-R258 PolarHBondContact O-NH1 2.89Å; G211-R258 PolarHBondContact O-NH2 2.76Å |
| 212 | K | 96 | Very high | 93.5 | Very high | 41 Ų | 41 | 33.6 Ų | 33.6 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | trans | -90.8 | 141 | 174.5 | -57.4 | 170.4 | 179.2 | 136.9 | 0 | 110.7 | P187 G207 T208 D210 V229 I238 | P187-K212 HydrophobicContact CB-CD 3.68Å; P187-K212 HydrophobicContact CG-CB 4.48Å; P187-K212 HydrophobicContact CG-CD 3.54Å; P187-K212 PolarHBondContact O-NZ 2.68Å; P187-K212 VanDerWaalsContact O-NZ 3.07Å; G207-K212 WeakPolarHBondContact CA-O 3.45Å; T208-K212 HydrophobicContact CG2-CB 4.41Å; T208-K212 PolarHBondContact N-O 3.2Å; T208-K212 WeakPolarHBondContact OG1-CB 3.27Å; T208-K212 PolarHBondContact OG1-N 3.23Å; T208-K212 PolarHBondContact OG1-O 2.94Å; D210-K212 WeakPolarHBondContact OD2-CE 3.39Å; D210-K212 IonicContact OD2-NZ 3.84Å; D210-K212 PolarHBondContact OD2-NZ 2.91Å; K212-V229 WeakPolarHBondContact CA-O 3.44Å; K212-I238 VanDerWaalsContact C-CD1 3.42Å; K212-I238 WeakPolarHBondContact O-CD1 3.09Å | ||
| 213 | I | 97.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 143.5 | 169.3 | -58.3 | 96.1 | 0 | 0 | 0 | 107.7 | L205 Y206 W227 E228 V229 I238 I241 V256 Y266 | L205-I213 HydrophobicContact CD2-CG2 4.42Å; Y206-I213 WeakPolarHBondContact O-CA 3.3Å; I213-W227 HydrophobicContact CB-CZ3 4.41Å; I213-W227 HydrophobicContact CG2-CH2 3.98Å; I213-W227 HydrophobicContact CG2-CZ3 3.85Å; I213-E228 CarbonylContact O-C 3.59Å; I213-E228 WeakPolarHBondContact O-CA 3.41Å; I213-V229 HydrophobicContact CB-CB 4.42Å; I213-V229 PolarHBondContact N-O 2.88Å; I213-V229 PolarHBondContact O-N 2.77Å; I213-I238 HydrophobicContact CD1-CD1 3.81Å; I213-I238 HydrophobicContact CG1-CD1 3.6Å; I213-I241 HydrophobicContact CG2-CD1 4.48Å; I213-V256 HydrophobicContact CD1-CG1 4.37Å; I213-V256 HydrophobicContact CD1-CG2 4.24Å; I213-V256 HydrophobicContact CG1-CG2 4.16Å; I213-Y266 HydrophobicContact CD1-CE2 4.3Å |
| 214 | G | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 167.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L205 Y206 W227 | L205-G214 WeakPolarHBondContact CA-O 3.47Å; Y206-G214 VanDerWaalsContact CD1-O 3.27Å; Y206-G214 WeakPolarHBondContact CD1-O 3.45Å; Y206-G214 WeakPolarHBondContact CE1-O 3.38Å; Y206-G214 VanDerWaalsContact CZ-CA 3.47Å; Y206-G214 PolarHBondContact N-O 3.16Å; Y206-G214 PolarHBondContact O-N 2.83Å; G214-W227 WeakPolarHBondContact CA-O 3Å |
| 215 | L | 96.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.9 | 175.9 | -178.5 | 67.1 | 0 | 0 | 0 | 109.1 | F196 E203 L205 K226 W227 | F196-L215 HydrophobicContact CB-CD1 3.91Å; F196-L215 HydrophobicContact CG-CD1 4.25Å; E203-L215 HydrophobicContact CB-CD1 4.02Å; L205-L215 HydrophobicContact CD2-CB 4.07Å; L205-L215 HydrophobicContact CD2-CD1 3.75Å; L205-L215 HydrophobicContact CD2-CG 4.48Å; L205-L215 HydrophobicContact CG-CD1 3.92Å; L215-K226 HydrophobicContact CB-CB 4.41Å; L215-K226 HydrophobicContact CD2-CB 4.19Å; L215-K226 HydrophobicContact CD2-CD 3.92Å; L215-K226 HydrophobicContact CG-CB 4.34Å; L215-K226 HydrophobicContact CG-CD 4.42Å; L215-K226 PolarHBondContact O-N 2.93Å; L215-W227 HydrophobicContact CB-CD2 3.87Å; L215-W227 VanDerWaalsContact CB-CE2 3.41Å; L215-W227 HydrophobicContact CB-CE3 4.34Å; L215-W227 HydrophobicContact CB-CG 4.44Å; L215-W227 HydrophobicContact CB-CH2 3.95Å; L215-W227 HydrophobicContact CB-CZ2 3.47Å; L215-W227 VanDerWaalsContact CB-CZ2 3.47Å; L215-W227 HydrophobicContact CB-CZ3 4.38Å; L215-W227 HydrophobicContact CD2-CZ2 3.97Å; L215-W227 HydrophobicContact CG-CZ2 4.27Å; L215-W227 PolarHBondContact N-O 3.36Å |
| 216 | V | 96.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.9 | 175 | -149.6 | 0 | 0 | 0 | 0 | 109.5 | L172 I184 E203 V204 Y206 A223 | L172-V216 HydrophobicContact CD1-CG2 4.12Å; I184-V216 HydrophobicContact CD1-CG1 4.37Å; I184-V216 HydrophobicContact CG2-CG1 4.05Å; E203-V216 WeakPolarHBondContact CA-O 3.41Å; V204-V216 PolarHBondContact N-O 3.29Å; V204-V216 PolarHBondContact O-N 2.99Å; Y206-V216 HydrophobicContact CD1-CG2 3.65Å; Y206-V216 HydrophobicContact CE1-CG2 3.35Å; V216-A223 HydrophobicContact CG1-CB 3.71Å |
| 217 | Q | 94.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 42.2 Ų | 42.2 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 121.6 | 167.7 | -175.3 | 175.4 | -2.3 | 0 | 0 | 109.2 | E202 E203 A223 A224 | E202-Q217 HydrophobicContact CB-CG 4.36Å; E202-Q217 CarbonylContact O-C 3.52Å; E202-Q217 WeakPolarHBondContact O-CA 3.39Å; E203-Q217 HydrophobicContact CG-CB 4.26Å; E203-Q217 HydrophobicContact CG-CG 4.23Å; Q217-A223 CarbonylContact O-C 3.51Å; Q217-A223 WeakPolarHBondContact O-CA 3.46Å; Q217-A223 WeakPolarHBondContact O-CB 3.46Å; Q217-A224 PolarHBondContact N-O 2.87Å; Q217-A224 PolarHBondContact O-N 2.88Å |
| 218 | I | 91.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 117.4 | -177.2 | -63.1 | -179.3 | 0 | 0 | 0 | 108.3 | L153 V164 V174 Y182 I184 E202 V204 | L153-I218 HydrophobicContact CD1-CB 3.63Å; L153-I218 HydrophobicContact CD1-CD1 3.84Å; L153-I218 HydrophobicContact CD1-CG1 4.25Å; L153-I218 HydrophobicContact CD1-CG2 3.62Å; L153-I218 HydrophobicContact CG-CD1 4.46Å; V164-I218 HydrophobicContact CB-CD1 4.38Å; V164-I218 HydrophobicContact CG1-CD1 4.08Å; V164-I218 HydrophobicContact CG2-CD1 3.41Å; V164-I218 VanDerWaalsContact CG2-CD1 3.41Å; V174-I218 HydrophobicContact CG1-CG2 4.03Å; V174-I218 HydrophobicContact CG2-CD1 4.19Å; V174-I218 HydrophobicContact CG2-CG2 4.19Å; Y182-I218 WeakPolarHBondContact OH-CG2 3.29Å; I184-I218 HydrophobicContact CD1-CD1 4.37Å; I184-I218 HydrophobicContact CD1-CG1 4.1Å; E202-I218 WeakPolarHBondContact CB-O 3.45Å; E202-I218 PolarHBondContact O-N 3.05Å; V204-I218 HydrophobicContact CB-CD1 4.34Å; V204-I218 HydrophobicContact CG2-CD1 3.6Å; V204-I218 HydrophobicContact CG2-CG1 4.42Å |
| 219 | G | 88.6 | Confident | 93.4 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | trans | -97.9 | -170 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y182 C221 D222 | Y182-G219 PolarHBondContact OH-N 2.93Å; Y182-G219 PolarHBondContact OH-O 2.87Å; G219-C221 PolarHBondContact O-N 2.92Å; G219-D222 VanDerWaalsContact CA-O 3.27Å; G219-D222 WeakPolarHBondContact CA-O 3.42Å; G219-D222 PolarHBondContact N-O 2.89Å | ||
| 220 | D | 83.8 | Confident | 93.3 | Very high | 141 Ų | 141 | 48.6 Ų | 48.6 | 75% | 0.754 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -69.9 | -30.1 | -176.7 | -65.6 | -32.5 | 0 | 0 | 0 | 113.7 | ||
| 221 | C | 85.8 | Confident | 93.2 | Very high | 110 Ų | 110 | 47.4 Ų | 47.4 | 74% | 0.743 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -136.1 | -8.8 | -174.3 | -59.6 | 0 | 0 | 0 | 0 | 114.1 | G219 | G219-C221 PolarHBondContact O-N 2.92Š|
| 222 | D | 90.8 | Very high | 92.8 | Very high | 123 Ų | 123 | 56.4 Ų | 56.4 | 66% | 0.658 | 32% | 0.32 | S | S | * | . | trans | -156 | 163.6 | -176.9 | -162.5 | 5.6 | 0 | 0 | 0 | 109.1 | Y182 G219 | Y182-D222 PolarHBondContact OH-O 2.86Å; Y182-D222 VanDerWaalsContact OH-O 3.07Å; G219-D222 VanDerWaalsContact CA-O 3.27Å; G219-D222 WeakPolarHBondContact CA-O 3.42Å; G219-D222 PolarHBondContact N-O 2.89Å | ||
| 223 | A | 93.6 | Very high | 92.3 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y182 I184 V216 Q217 | Y182-A223 HydrophobicContact CE2-CB 3.88Å; I184-A223 HydrophobicContact CD1-CB 3.39Å; I184-A223 HydrophobicContact CG1-CB 3.71Å; I184-A223 HydrophobicContact CG2-CB 4.39Å; V216-A223 HydrophobicContact CG1-CB 3.71Å; Q217-A223 CarbonylContact O-C 3.51Å; Q217-A223 WeakPolarHBondContact O-CA 3.46Å; Q217-A223 WeakPolarHBondContact O-CB 3.46Å |
| 224 | A | 94.2 | Very high | 91.7 | Very high | 54 Ų | 54 | 68.1 Ų | 68.1 | 45% | 0.446 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 118.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q217 K226 | Q217-A224 PolarHBondContact N-O 2.87Å; Q217-A224 PolarHBondContact O-N 2.88Å; A224-K226 PolarHBondContact O-N 3.13Å |
| 225 | T | 94.8 | Very high | 91.3 | Very high | 73 Ų | 73 | 69.1 Ų | 69.1 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 120.9 | 168.7 | -55 | 0 | 0 | 0 | 0 | 109.1 | E228 | T225-E228 HydrophobicContact CG2-CG 3.72Å |
| 226 | K | 94.3 | Very high | 91.1 | Very high | 99 Ų | 99 | 69.4 Ų | 69.4 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -48.2 | 178.8 | -70.7 | -162.1 | 166.7 | -170.9 | 0 | 111.6 | E203 L215 A224 | E203-K226 WeakPolarHBondContact OE1-CE 3.38Å; E203-K226 IonicContact OE1-NZ 2.62Å; E203-K226 PolarHBondContact OE1-NZ 2.93Å; L215-K226 HydrophobicContact CB-CB 4.41Å; L215-K226 HydrophobicContact CD2-CB 4.19Å; L215-K226 HydrophobicContact CD2-CD 3.92Å; L215-K226 HydrophobicContact CG-CB 4.34Å; L215-K226 HydrophobicContact CG-CD 4.42Å; L215-K226 PolarHBondContact O-N 2.93Å; A224-K226 PolarHBondContact O-N 3.13Å |
| 227 | W | 95.3 | Very high | 91 | Very high | 30 Ų | 30 | 69.5 Ų | 69.5 | 11% | 0.114 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 159.7 | 178.1 | 51.3 | -105.9 | 0 | 0 | 0 | 110 | L205 I213 G214 L215 V229 I254 F268 P274 | L205-W227 HydrophobicContact CD2-CH2 3.52Å; L205-W227 HydrophobicContact CD2-CZ2 3.8Å; I213-W227 HydrophobicContact CB-CZ3 4.41Å; I213-W227 HydrophobicContact CG2-CH2 3.98Å; I213-W227 HydrophobicContact CG2-CZ3 3.85Å; G214-W227 WeakPolarHBondContact CA-O 3Å; L215-W227 HydrophobicContact CB-CD2 3.87Å; L215-W227 VanDerWaalsContact CB-CE2 3.41Å; L215-W227 HydrophobicContact CB-CE3 4.34Å; L215-W227 HydrophobicContact CB-CG 4.44Å; L215-W227 HydrophobicContact CB-CH2 3.95Å; L215-W227 HydrophobicContact CB-CZ2 3.47Å; L215-W227 VanDerWaalsContact CB-CZ2 3.47Å; L215-W227 HydrophobicContact CB-CZ3 4.38Å; L215-W227 HydrophobicContact CD2-CZ2 3.97Å; L215-W227 HydrophobicContact CG-CZ2 4.27Å; L215-W227 PolarHBondContact N-O 3.36Å; W227-V229 HydrophobicContact CE3-CG2 4.01Å; W227-V229 HydrophobicContact CZ3-CG2 3.94Å; W227-I254 HydrophobicContact CH2-CD1 3.42Å; W227-I254 VanDerWaalsContact CH2-CD1 3.42Å; W227-I254 HydrophobicContact CZ2-CD1 3.57Å; W227-F268 HydrophobicContact CZ2-CE1 4.14Å; W227-F268 HydrophobicContact CZ2-CZ 4.38Å; W227-P274 HydrophobicContact CD2-CG 3.78Å; W227-P274 HydrophobicContact CE3-CG 3.6Å; W227-P274 HydrophobicContact CG-CG 4.41Å; W227-P274 HydrophobicContact CH2-CB 4.5Å; W227-P274 HydrophobicContact CH2-CG 4.17Å; W227-P274 HydrophobicContact CZ2-CG 4.28Å; W227-P274 HydrophobicContact CZ3-CG 3.82Å |
| 228 | E | 95.8 | Very high | 91.2 | Very high | 98 Ų | 98 | 66.4 Ų | 66.4 | 46% | 0.458 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 140.1 | 172.7 | -61.8 | -168.5 | 134.3 | 0 | 0 | 109.6 | P187 Y206 I213 T225 | P187-E228 WeakPolarHBondContact CD-OE1 3.35Å; P187-E228 WeakPolarHBondContact CG-OE1 3.3Å; Y206-E228 WeakPolarHBondContact OH-CG 3.41Å; Y206-E228 PolarHBondContact OH-OE1 3.24Å; I213-E228 CarbonylContact O-C 3.59Å; I213-E228 WeakPolarHBondContact O-CA 3.41Å; T225-E228 HydrophobicContact CG2-CG 3.72Å |
| 229 | V | 95.2 | Very high | 91.5 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 113.8 | 173.2 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | K212 I213 W227 Y266 P274 | K212-V229 WeakPolarHBondContact CA-O 3.44Å; I213-V229 HydrophobicContact CB-CB 4.42Å; I213-V229 PolarHBondContact N-O 2.88Å; I213-V229 PolarHBondContact O-N 2.77Å; W227-V229 HydrophobicContact CE3-CG2 4.01Å; W227-V229 HydrophobicContact CZ3-CG2 3.94Å; V229-Y266 HydrophobicContact CG1-CE1 4.18Å; V229-P274 HydrophobicContact CG2-CB 4.14Å; V229-P274 HydrophobicContact CG2-CG 3.3Å |
| 230 | G | 92.4 | Very high | 91.9 | Very high | 45 Ų | 45 | 66.4 Ų | 66.4 | 46% | 0.464 | 36% | 0.355 | S | S | . | . | trans | -68.7 | 165.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 231 | N | 90.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | trans | -104.6 | 58.4 | 179.4 | -170.9 | 13.7 | 0 | 0 | 0 | 112 | D210 K233 R234 K235 | D210-N231 PolarHBondContact O-ND2 2.84Å; N231-K233 PolarHBondContact O-N 2.97Å; N231-R234 PolarHBondContact O-N 2.91Å; N231-R234 PolarHBondContact OD1-N 2.9Å; N231-K235 PolarHBondContact ND2-N 2.93Å; N231-K235 PolarHBondContact ND2-O 3.25Å; N231-K235 PolarHBondContact OD1-N 3.25Å | ||
| 232 | E | 86.2 | Confident | 93.2 | Very high | 188 Ų | 188 | 54.6 Ų | 54.6 | 88% | 0.879 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -34.3 | -173 | -60.6 | -179 | 171 | 0 | 0 | 113.3 | R234 | E232-R234 VanDerWaalsContact C-N 3.26Å; E232-R234 PolarHBondContact O-N 3.39Å |
| 233 | K | 84.3 | Confident | 93.4 | Very high | 144 Ų | 144 | 48.8 Ų | 48.8 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 5.6 | 178.9 | -69.2 | -179.4 | 178.8 | 178.6 | 0 | 113.6 | N231 K235 E279 | N231-K233 PolarHBondContact O-N 2.97Å; K233-K235 VanDerWaalsContact C-N 3.29Å; K233-K235 HydrophobicContact CB-CD 4.44Å; K233-K235 HydrophobicContact CB-CG 4.04Å; K233-K235 PolarHBondContact O-N 2.49Å; K233-E279 IonicContact NZ-OE2 3.7Å |
| 234 | R | 85.3 | Confident | 93.4 | Very high | 146 Ų | 146 | 50.5 Ų | 50.5 | 55% | 0.551 | 26% | 0.256 | S | S | * | . | trans | 51.5 | 45.3 | 178.4 | -57.8 | -178.5 | 176.1 | 158.8 | 4.7 | 113.3 | N231 E232 D387 | N231-R234 PolarHBondContact O-N 2.91Å; N231-R234 PolarHBondContact OD1-N 2.9Å; E232-R234 VanDerWaalsContact C-N 3.26Å; E232-R234 PolarHBondContact O-N 3.39Å; R234-D387 WeakPolarHBondContact CG-OD2 3.46Å; R234-D387 IonicContact CZ-OD2 3.81Å; R234-D387 IonicContact NE-OD2 3.84Å; R234-D387 PolarHBondContact NE-OD2 3.31Å; R234-D387 IonicContact NH2-OD2 3.1Å | ||
| 235 | K | 89.1 | Confident | 93.4 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 169 | 177.8 | -60.8 | -178.1 | 177.2 | -169.8 | 0 | 111.1 | N231 K233 T262 E264 E279 | N231-K235 PolarHBondContact ND2-N 2.93Å; N231-K235 PolarHBondContact ND2-O 3.25Å; N231-K235 PolarHBondContact OD1-N 3.25Å; K233-K235 VanDerWaalsContact C-N 3.29Å; K233-K235 HydrophobicContact CB-CD 4.44Å; K233-K235 HydrophobicContact CB-CG 4.04Å; K233-K235 PolarHBondContact O-N 2.49Å; K235-T262 HydrophobicContact CD-CG2 4.21Å; K235-E264 WeakPolarHBondContact CD-OE1 3.46Å; K235-E264 WeakPolarHBondContact CE-OE1 3.4Å; K235-E264 IonicContact NZ-OE1 3.91Å; K235-E264 PolarHBondContact NZ-OE1 2.95Å; K235-E279 IonicContact NZ-OE1 3.2Å; K235-E279 PolarHBondContact NZ-OE1 2.91Å; K235-E279 IonicContact NZ-OE2 3.77Å; K235-E279 PolarHBondContact NZ-OE2 3.17Å |
| 236 | G | 90.7 | Very high | 93.3 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 161.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R258 D259 D260 | G236-R258 WeakPolarHBondContact O-CD 3.49Å; G236-R258 PolarHBondContact O-NH1 2.97Å; G236-D259 WeakPolarHBondContact CA-OD1 3.48Å; G236-D260 PolarHBondContact N-OD2 2.93Å |
| 237 | G | 95.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 153.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T209 R258 D259 | T209-G237 WeakPolarHBondContact O-CA 3.49Å; G237-R258 CarbonylContact O-C 3.53Å; G237-R258 VanDerWaalsContact O-CA 3.28Å; G237-R258 WeakPolarHBondContact O-CA 3.3Å; G237-D259 PolarHBondContact N-OD1 3.42Å; G237-D259 PolarHBondContact N-OD2 2.91Å; G237-D259 PolarHBondContact O-N 3.36Å |
| 238 | I | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 125.3 | -175.3 | -63 | 147.2 | 0 | 0 | 0 | 110 | S191 V192 T208 G211 K212 I213 I241 V256 R258 | S191-I238 WeakPolarHBondContact CB-O 3.23Å; S191-I238 PolarHBondContact OG-O 2.96Å; V192-I238 HydrophobicContact CG1-CG2 3.73Å; T208-I238 PolarHBondContact O-N 3.13Å; G211-I238 VanDerWaalsContact C-CD1 3.47Å; K212-I238 VanDerWaalsContact C-CD1 3.42Å; K212-I238 WeakPolarHBondContact O-CD1 3.09Å; I213-I238 HydrophobicContact CD1-CD1 3.81Å; I213-I238 HydrophobicContact CG1-CD1 3.6Å; I238-I241 HydrophobicContact CG2-CD1 4.01Å; I238-I241 HydrophobicContact CG2-CG1 3.74Å; I238-V256 HydrophobicContact CG1-CG1 3.94Å; I238-V256 HydrophobicContact CG2-CG1 3.81Å; I238-R258 HydrophobicContact CG1-CG 4.47Å |
| 239 | L | 98 | Very high | 92.5 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -30 | -179.9 | -68.5 | -178.2 | 0 | 0 | 0 | 112.5 | Q18 G257 D259 V286 | Q18-L239 HydrophobicContact CG-CB 4.32Å; Q18-L239 WeakPolarHBondContact CG-O 3.49Å; Q18-L239 PolarHBondContact NE2-O 3.16Å; L239-G257 PolarHBondContact N-O 3.02Å; L239-D259 HydrophobicContact CD1-CB 3.7Å; L239-D259 HydrophobicContact CD2-CB 4.32Å; L239-D259 HydrophobicContact CG-CB 3.86Å; L239-V286 VanDerWaalsContact CB-O 3.29Å; L239-V286 WeakPolarHBondContact CB-O 3.48Å |
| 240 | C | 98.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 143.8 | -178.9 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | G257 V286 S288 I289 | C240-G257 PolarHBondContact N-O 2.83Å; C240-G257 PolarHBondContact O-N 2.82Å; C240-V286 PolarHBondContact SG-O 3.01Å; C240-S288 VanDerWaalsContact SG-CA 3.55Å; C240-I289 HydrophobicContact CB-CG2 3.88Å; C240-I289 PolarHBondContact SG-N 3.38Å; C240-I289 VanDerWaalsContact SG-N 3.45Å |
| 241 | I | 98.1 | Very high | 92 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.8 | 176 | -62.7 | 176.5 | 0 | 0 | 0 | 107.4 | V192 E194 L205 I213 I238 I254 L255 | V192-I241 HydrophobicContact CG1-CD1 3.89Å; V192-I241 HydrophobicContact CG1-CG1 3.89Å; E194-I241 HydrophobicContact CB-CB 4.31Å; E194-I241 HydrophobicContact CB-CG2 4.2Å; L205-I241 HydrophobicContact CB-CG2 4.48Å; L205-I241 HydrophobicContact CD1-CG2 4.07Å; I213-I241 HydrophobicContact CG2-CD1 4.48Å; I238-I241 HydrophobicContact CG2-CD1 4.01Å; I238-I241 HydrophobicContact CG2-CG1 3.74Å; I241-I254 HydrophobicContact CG2-CG2 3.97Å; I241-L255 CarbonylContact C-O 3.55Å; I241-L255 VanDerWaalsContact CA-O 3.27Å; I241-L255 WeakPolarHBondContact CA-O 3.24Å |
| 242 | D | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 158.4 | 167.6 | -165.5 | 50.2 | 0 | 0 | 0 | 110.1 | K198 L255 I289 Q290 G291 | K198-D242 WeakPolarHBondContact CE-OD1 3.3Å; K198-D242 VanDerWaalsContact NZ-CG 3.29Å; K198-D242 IonicContact NZ-OD1 3.79Å; K198-D242 PolarHBondContact NZ-OD1 2.91Å; K198-D242 IonicContact NZ-OD2 3.99Å; K198-D242 PolarHBondContact NZ-OD2 3.39Å; D242-L255 HydrophobicContact CB-CB 4.32Å; D242-L255 HydrophobicContact CB-CD1 4.37Å; D242-L255 PolarHBondContact N-O 3.06Å; D242-L255 PolarHBondContact O-N 3.12Å; D242-I289 HydrophobicContact CB-CG2 4.1Å; D242-Q290 PolarHBondContact OD1-NE2 2.79Å; D242-Q290 WeakPolarHBondContact OD2-CA 3.49Å; D242-G291 PolarHBondContact OD2-N 3.44Å |
| 243 | T | 95.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.1 | 173.2 | 64 | 0 | 0 | 0 | 0 | 110.9 | F196 K198 L205 D253 | F196-T243 HydrophobicContact CD2-CG2 4.03Å; K198-T243 PolarHBondContact NZ-O 3.42Å; L205-T243 HydrophobicContact CD1-CG2 3.55Å; T243-D253 CarbonylContact C-O 3.57Å; T243-D253 VanDerWaalsContact CA-O 3.25Å; T243-D253 WeakPolarHBondContact CA-O 3.26Å |
| 244 | Y | 94.4 | Very high | 93.1 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 135.1 | -179.7 | -172.4 | -95.9 | 0 | 0 | 0 | 111.2 | I246 D253 G291 D300 | Y244-I246 HydrophobicContact CD1-CB 4.13Å; Y244-I246 PolarHBondContact O-N 3.07Å; Y244-D253 PolarHBondContact N-O 3.36Å; Y244-D253 VanDerWaalsContact O-CB 3.3Å; Y244-D253 WeakPolarHBondContact O-CB 2.99Å; Y244-D253 PolarHBondContact O-N 2.96Å; Y244-G291 VanDerWaalsContact CD2-C 3.44Å; Y244-G291 WeakPolarHBondContact CD2-O 3.02Å; Y244-D300 HydrophobicContact CE1-CB 3.98Å; Y244-D300 PolarHBondContact OH-OD1 3.16Å |
| 245 | D | 93.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 26.7 Ų | 26.7 | 20% | 0.198 | 17% | 0.171 | C | C | . | . | trans | -72.6 | 84.8 | 173.7 | -178.8 | 15.5 | 0 | 0 | 0 | 110.9 | G248 D249 G250 V251 N252 | D245-G248 WeakPolarHBondContact OD1-CA 3.46Å; D245-G248 PolarHBondContact OD1-N 3.47Å; D245-D249 PolarHBondContact OD1-N 3.36Å; D245-G250 WeakPolarHBondContact OD2-CA 3.36Å; D245-G250 PolarHBondContact OD2-N 3.39Å; D245-V251 WeakPolarHBondContact CB-O 3.44Å; D245-N252 PolarHBondContact N-OD1 3.22Å | ||
| 246 | I | 93.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -87.8 | -25.4 | 178.2 | -173.7 | 61.5 | 0 | 0 | 0 | 111.2 | L3 L5 Y244 D253 L255 V265 D300 V302 | L3-I246 HydrophobicContact CD2-CG1 4.37Å; L3-I246 HydrophobicContact CD2-CG2 4.07Å; L5-I246 HydrophobicContact CD2-CD1 4.44Å; L5-I246 HydrophobicContact CD2-CG1 4.4Å; Y244-I246 HydrophobicContact CD1-CB 4.13Å; Y244-I246 PolarHBondContact O-N 3.07Å; I246-D253 HydrophobicContact CG2-CB 4.02Å; I246-D253 VanDerWaalsContact CG2-OD2 3.24Å; I246-D253 WeakPolarHBondContact CG2-OD2 3.45Å; I246-D253 PolarHBondContact N-OD2 3.48Å; I246-L255 HydrophobicContact CG2-CD2 4.13Å; I246-V265 HydrophobicContact CG2-CG1 3.59Å; I246-D300 HydrophobicContact CD1-CB 3.47Å; I246-D300 VanDerWaalsContact CD1-CB 3.47Å; I246-V302 HydrophobicContact CG1-CG2 4.18Å |
| 247 | I | 90.8 | Very high | 94.6 | Very high | 56 Ų | 56 | 25.2 Ų | 25.2 | 29% | 0.287 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -75.8 | -27.8 | 176.7 | -62.7 | 176.1 | 0 | 0 | 0 | 111.2 | D249 D253 R277 | I247-D249 HydrophobicContact CG2-CB 4.47Å; I247-D253 WeakPolarHBondContact CD1-OD1 3.46Å; I247-D253 WeakPolarHBondContact CG1-OD2 3.36Å; I247-D253 PolarHBondContact N-OD2 3.23Å; I247-R277 HydrophobicContact CD1-CB 4.34Å; I247-R277 HydrophobicContact CD1-CG 3.78Å |
| 248 | G | 88.8 | Confident | 94.7 | Very high | 56 Ų | 56 | 25.2 Ų | 25.2 | 58% | 0.577 | 16% | 0.161 | S | C | * | . | trans | 80.9 | 27.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D245 | D245-G248 WeakPolarHBondContact OD1-CA 3.46Å; D245-G248 PolarHBondContact OD1-N 3.47Å | ||
| 249 | D | 88.3 | Confident | 94.5 | Very high | 95 Ų | 95 | 26.1 Ų | 26.1 | 51% | 0.508 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -93.2 | -1 | 179.2 | 72.9 | 7.5 | 0 | 0 | 0 | 113.5 | D245 I247 V251 | D245-D249 PolarHBondContact OD1-N 3.36Å; I247-D249 HydrophobicContact CG2-CB 4.47Å; D249-V251 WeakPolarHBondContact OD1-CB 3.26Å; D249-V251 PolarHBondContact OD1-N 2.83Å |
| 250 | G | 87.5 | Confident | 94.3 | Very high | 65 Ų | 65 | 25.3 Ų | 25.3 | 67% | 0.67 | 16% | 0.161 | S | C | * | . | S | Bend | trans | 89.3 | -1.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D245 | D245-G250 WeakPolarHBondContact OD2-CA 3.36Å; D245-G250 PolarHBondContact OD2-N 3.39Å |
| 251 | V | 89.8 | Confident | 94.2 | Very high | 68 Ų | 68 | 25.2 Ų | 25.2 | 41% | 0.412 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -109.6 | 136.3 | 172.8 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | D245 D249 D253 F268 | D245-V251 WeakPolarHBondContact CB-O 3.44Å; D249-V251 WeakPolarHBondContact OD1-CB 3.26Å; D249-V251 PolarHBondContact OD1-N 2.83Å; V251-D253 PolarHBondContact O-N 2.98Å; V251-F268 HydrophobicContact CG1-CD2 3.96Å; V251-F268 HydrophobicContact CG1-CE2 4.43Å |
| 252 | N | 92.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 25.3 Ų | 25.3 | 21% | 0.214 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 130.4 | 178.3 | -69.3 | -49.9 | 0 | 0 | 0 | 110.9 | N197 D245 F268 | N197-N252 WeakPolarHBondContact OD1-CB 3.47Å; N197-N252 PolarHBondContact OD1-ND2 3.42Å; D245-N252 PolarHBondContact N-OD1 3.22Å; N252-F268 WeakPolarHBondContact O-CE2 3.41Å |
| 253 | D | 95 | Very high | 94.2 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 160.9 | 169.2 | -55.6 | -68.8 | 0 | 0 | 0 | 110.9 | T243 Y244 I246 I247 V251 V265 Y266 G267 | T243-D253 CarbonylContact C-O 3.57Å; T243-D253 VanDerWaalsContact CA-O 3.25Å; T243-D253 WeakPolarHBondContact CA-O 3.26Å; Y244-D253 PolarHBondContact N-O 3.36Å; Y244-D253 VanDerWaalsContact O-CB 3.3Å; Y244-D253 WeakPolarHBondContact O-CB 2.99Å; Y244-D253 PolarHBondContact O-N 2.96Å; I246-D253 HydrophobicContact CG2-CB 4.02Å; I246-D253 VanDerWaalsContact CG2-OD2 3.24Å; I246-D253 WeakPolarHBondContact CG2-OD2 3.45Å; I246-D253 PolarHBondContact N-OD2 3.48Å; I247-D253 WeakPolarHBondContact CD1-OD1 3.46Å; I247-D253 WeakPolarHBondContact CG1-OD2 3.36Å; I247-D253 PolarHBondContact N-OD2 3.23Å; V251-D253 PolarHBondContact O-N 2.98Å; D253-V265 HydrophobicContact CB-CG1 4.03Å; D253-Y266 WeakPolarHBondContact CA-O 3.46Å; D253-Y266 WeakPolarHBondContact CB-O 3.48Å; D253-G267 WeakPolarHBondContact OD1-CA 3.29Å |
| 254 | I | 97.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.3 | 175 | -51.9 | 169 | 0 | 0 | 0 | 108.7 | F196 L205 W227 I241 V256 V265 Y266 F268 | F196-I254 HydrophobicContact CE2-CG1 4.45Å; L205-I254 HydrophobicContact CD1-CD1 4.47Å; L205-I254 HydrophobicContact CD1-CG1 4.25Å; L205-I254 HydrophobicContact CD1-CG2 4.26Å; L205-I254 HydrophobicContact CD2-CD1 4.01Å; W227-I254 HydrophobicContact CH2-CD1 3.42Å; W227-I254 VanDerWaalsContact CH2-CD1 3.42Å; W227-I254 HydrophobicContact CZ2-CD1 3.57Å; I241-I254 HydrophobicContact CG2-CG2 3.97Å; I254-V256 HydrophobicContact CG2-CG2 3.86Å; I254-V265 WeakPolarHBondContact O-CA 3.44Å; I254-Y266 PolarHBondContact N-O 3.29Å; I254-Y266 PolarHBondContact O-N 2.75Å; I254-F268 HydrophobicContact CD1-CE1 4.41Å; I254-F268 HydrophobicContact CD1-CE2 4.49Å; I254-F268 HydrophobicContact CD1-CZ 3.76Å; I254-F268 HydrophobicContact CG1-CE2 4.37Å; I254-F268 HydrophobicContact CG1-CZ 4.09Å |
| 255 | L | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.7 | 176.3 | -47.1 | -178.3 | 0 | 0 | 0 | 108.5 | I241 D242 I246 V265 I289 V302 | I241-L255 CarbonylContact C-O 3.55Å; I241-L255 VanDerWaalsContact CA-O 3.27Å; I241-L255 WeakPolarHBondContact CA-O 3.24Å; D242-L255 HydrophobicContact CB-CB 4.32Å; D242-L255 HydrophobicContact CB-CD1 4.37Å; D242-L255 PolarHBondContact N-O 3.06Å; D242-L255 PolarHBondContact O-N 3.12Å; I246-L255 HydrophobicContact CG2-CD2 4.13Å; L255-V265 HydrophobicContact CD2-CB 4.37Å; L255-V265 HydrophobicContact CD2-CG1 3.95Å; L255-V265 HydrophobicContact CD2-CG2 3.85Å; L255-I289 HydrophobicContact CB-CD1 3.71Å; L255-I289 HydrophobicContact CB-CG1 4.02Å; L255-V302 HydrophobicContact CD1-CG1 4.28Å; L255-V302 HydrophobicContact CD1-CG2 4.12Å; L255-V302 HydrophobicContact CD2-CG2 3.84Å |
| 256 | V | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.3 | -175.8 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | I213 I238 I254 R258 V263 E264 Y266 | I213-V256 HydrophobicContact CD1-CG1 4.37Å; I213-V256 HydrophobicContact CD1-CG2 4.24Å; I213-V256 HydrophobicContact CG1-CG2 4.16Å; I238-V256 HydrophobicContact CG1-CG1 3.94Å; I238-V256 HydrophobicContact CG2-CG1 3.81Å; I254-V256 HydrophobicContact CG2-CG2 3.86Å; V256-R258 HydrophobicContact CG1-CG 4.32Å; V256-V263 WeakPolarHBondContact O-CA 3.5Å; V256-E264 HydrophobicContact CB-CB 4.3Å; V256-E264 PolarHBondContact N-O 2.94Å; V256-E264 PolarHBondContact O-N 3.47Å; V256-Y266 HydrophobicContact CG2-CD2 4.07Å; V256-Y266 HydrophobicContact CG2-CE2 4.04Å |
| 257 | G | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L239 C240 | L239-G257 PolarHBondContact N-O 3.02Å; C240-G257 PolarHBondContact N-O 2.83Å; C240-G257 PolarHBondContact O-N 2.82Å |
| 258 | R | 97.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 161.4 | -174.4 | -60.8 | -175.2 | 178.5 | -95.7 | 0.4 | 113.4 | G211 G236 G237 I238 V256 D260 G261 T262 E264 V286 | G211-R258 VanDerWaalsContact CA-NH1 3.3Å; G211-R258 PolarHBondContact O-NH1 2.89Å; G211-R258 PolarHBondContact O-NH2 2.76Å; G236-R258 WeakPolarHBondContact O-CD 3.49Å; G236-R258 PolarHBondContact O-NH1 2.97Å; G237-R258 CarbonylContact O-C 3.53Å; G237-R258 VanDerWaalsContact O-CA 3.28Å; G237-R258 WeakPolarHBondContact O-CA 3.3Å; I238-R258 HydrophobicContact CG1-CG 4.47Å; V256-R258 HydrophobicContact CG1-CG 4.32Å; R258-D260 VanDerWaalsContact CB-OD1 3.3Å; R258-D260 WeakPolarHBondContact CB-OD1 3.4Å; R258-D260 PolarHBondContact O-N 2.99Å; R258-G261 PolarHBondContact O-N 2.95Å; R258-T262 WeakPolarHBondContact CB-O 3.37Å; R258-T262 PolarHBondContact N-O 3.24Å; R258-E264 IonicContact CZ-OE2 2.69Å; R258-E264 VanDerWaalsContact CZ-OE2 3.26Å; R258-E264 VanDerWaalsContact NE-CD 3.32Å; R258-E264 IonicContact NE-OE1 2.98Å; R258-E264 IonicContact NE-OE2 3.24Å; R258-E264 PolarHBondContact NE-OE2 2.88Å; R258-E264 IonicContact NH2-OE1 3.47Å; R258-E264 IonicContact NH2-OE2 3.74Å; R258-E264 PolarHBondContact NH2-OE2 3.37Å; R258-V286 PolarHBondContact O-N 3.19Å |
| 259 | D | 94.9 | Very high | 94.6 | Very high | 19 Ų | 19 | 20 Ų | 20 | 10% | 0.102 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.5 | 179 | 71.1 | 14.7 | 0 | 0 | 0 | 114.8 | G236 G237 L239 S285 K381 R450 | G236-D259 WeakPolarHBondContact CA-OD1 3.48Å; G237-D259 PolarHBondContact N-OD1 3.42Å; G237-D259 PolarHBondContact N-OD2 2.91Å; G237-D259 PolarHBondContact O-N 3.36Å; L239-D259 HydrophobicContact CD1-CB 3.7Å; L239-D259 HydrophobicContact CD2-CB 4.32Å; L239-D259 HydrophobicContact CG-CB 3.86Å; D259-S285 VanDerWaalsContact O-CB 3.31Å; D259-S285 WeakPolarHBondContact O-CB 3.49Å; D259-K381 IonicContact OD2-NZ 3.73Å; D259-K381 PolarHBondContact OD2-NZ 3.47Å; D259-R450 PolarHBondContact O-NE 2.84Å; D259-R450 VanDerWaalsContact O-NE 3.11Å |
| 260 | D | 93.3 | Very high | 94.4 | Very high | 17 Ų | 17 | 21.6 Ų | 21.6 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 5.8 | 174 | 71.6 | -10 | 0 | 0 | 0 | 113.1 | G236 R258 T262 | G236-D260 PolarHBondContact N-OD2 2.93Å; R258-D260 VanDerWaalsContact CB-OD1 3.3Å; R258-D260 WeakPolarHBondContact CB-OD1 3.4Å; R258-D260 PolarHBondContact O-N 2.99Å; D260-T262 VanDerWaalsContact CG-OG1 3.28Å; D260-T262 VanDerWaalsContact OD1-CB 3.26Å; D260-T262 WeakPolarHBondContact OD1-CB 3.33Å; D260-T262 PolarHBondContact OD1-N 3.33Å; D260-T262 PolarHBondContact OD1-OG1 3.02Å; D260-T262 PolarHBondContact OD2-OG1 2.83Å |
| 261 | G | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 88.4 | -2.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R258 V263 L282 E284 | R258-G261 PolarHBondContact O-N 2.95Å; G261-V263 PolarHBondContact O-N 3.4Å; G261-L282 WeakPolarHBondContact O-CB 3.27Å; G261-L282 PolarHBondContact O-N 3.15Å; G261-E284 WeakPolarHBondContact CA-O 3.16Å |
| 262 | T | 97.1 | Very high | 94 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 132.9 | 177.6 | -47.1 | 0 | 0 | 0 | 0 | 111.1 | K235 R258 D260 E264 E279 H280 V281 | K235-T262 HydrophobicContact CD-CG2 4.21Å; R258-T262 WeakPolarHBondContact CB-O 3.37Å; R258-T262 PolarHBondContact N-O 3.24Å; D260-T262 VanDerWaalsContact CG-OG1 3.28Å; D260-T262 VanDerWaalsContact OD1-CB 3.26Å; D260-T262 WeakPolarHBondContact OD1-CB 3.33Å; D260-T262 PolarHBondContact OD1-N 3.33Å; D260-T262 PolarHBondContact OD1-OG1 3.02Å; D260-T262 PolarHBondContact OD2-OG1 2.83Å; T262-E264 HydrophobicContact CG2-CG 3.85Å; T262-E279 HydrophobicContact CG2-CG 4Å; T262-H280 CarbonylContact C-O 3.58Å; T262-V281 HydrophobicContact CG2-CG2 4.41Å |
| 263 | V | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.6 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | V256 G261 E279 H280 L282 V286 I289 V302 T304 L314 | V256-V263 WeakPolarHBondContact O-CA 3.5Å; G261-V263 PolarHBondContact O-N 3.4Å; V263-E279 WeakPolarHBondContact O-CA 3.21Å; V263-H280 PolarHBondContact N-O 3.43Å; V263-H280 PolarHBondContact O-N 3.06Å; V263-L282 HydrophobicContact CG2-CD1 3.98Å; V263-L282 HydrophobicContact CG2-CG 4.31Å; V263-V286 HydrophobicContact CG2-CG2 3.9Å; V263-I289 HydrophobicContact CG1-CD1 3.87Å; V263-V302 HydrophobicContact CG1-CG1 4.24Å; V263-T304 HydrophobicContact CG1-CG2 4.26Å; V263-T304 HydrophobicContact CG2-CG2 3.93Å; V263-L314 HydrophobicContact CB-CD1 4.29Å; V263-L314 HydrophobicContact CG1-CD1 3.84Å |
| 264 | E | 97.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146 | -177.3 | -55.1 | 178.6 | 142.5 | 0 | 0 | 110.8 | K235 V256 R258 T262 Y266 L276 F278 | K235-E264 WeakPolarHBondContact CD-OE1 3.46Å; K235-E264 WeakPolarHBondContact CE-OE1 3.4Å; K235-E264 IonicContact NZ-OE1 3.91Å; K235-E264 PolarHBondContact NZ-OE1 2.95Å; V256-E264 HydrophobicContact CB-CB 4.3Å; V256-E264 PolarHBondContact N-O 2.94Å; V256-E264 PolarHBondContact O-N 3.47Å; R258-E264 IonicContact CZ-OE2 2.69Å; R258-E264 VanDerWaalsContact CZ-OE2 3.26Å; R258-E264 VanDerWaalsContact NE-CD 3.32Å; R258-E264 IonicContact NE-OE1 2.98Å; R258-E264 IonicContact NE-OE2 3.24Å; R258-E264 PolarHBondContact NE-OE2 2.88Å; R258-E264 IonicContact NH2-OE1 3.47Å; R258-E264 IonicContact NH2-OE2 3.74Å; R258-E264 PolarHBondContact NH2-OE2 3.37Å; T262-E264 HydrophobicContact CG2-CG 3.85Å; E264-Y266 HydrophobicContact CB-CD2 4.22Å; E264-Y266 HydrophobicContact CB-CE2 3.56Å; E264-Y266 HydrophobicContact CG-CE2 4.37Å; E264-Y266 PolarHBondContact OE1-OH 3.04Å; E264-Y266 WeakPolarHBondContact OE2-CE2 3.43Å; E264-Y266 PolarHBondContact OE2-OH 3.41Å; E264-L276 HydrophobicContact CB-CD1 3.82Å; E264-L276 HydrophobicContact CG-CD1 4.19Å; E264-F278 WeakPolarHBondContact CA-O 3.3Å |
| 265 | V | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.9 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | L3 I246 D253 I254 L255 R277 F278 V302 | L3-V265 HydrophobicContact CD2-CB 4.34Å; L3-V265 HydrophobicContact CD2-CG1 4.04Å; L3-V265 HydrophobicContact CD2-CG2 4.4Å; I246-V265 HydrophobicContact CG2-CG1 3.59Å; D253-V265 HydrophobicContact CB-CG1 4.03Å; I254-V265 WeakPolarHBondContact O-CA 3.44Å; L255-V265 HydrophobicContact CD2-CB 4.37Å; L255-V265 HydrophobicContact CD2-CG1 3.95Å; L255-V265 HydrophobicContact CD2-CG2 3.85Å; V265-R277 PolarHBondContact O-N 3.29Å; V265-F278 HydrophobicContact CB-CB 4.05Å; V265-F278 HydrophobicContact CG2-CB 4.14Å; V265-F278 HydrophobicContact CG2-CD1 4.06Å; V265-F278 PolarHBondContact N-O 3.41Å; V265-F278 PolarHBondContact O-N 2.75Å; V265-V302 HydrophobicContact CG2-CG2 4.22Å |
| 266 | Y | 96.3 | Very high | 93.6 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122 | 174 | -63 | -99.8 | 0 | 0 | 0 | 109.7 | I213 V229 D253 I254 V256 E264 P274 T275 L276 | I213-Y266 HydrophobicContact CD1-CE2 4.3Å; V229-Y266 HydrophobicContact CG1-CE1 4.18Å; D253-Y266 WeakPolarHBondContact CA-O 3.46Å; D253-Y266 WeakPolarHBondContact CB-O 3.48Å; I254-Y266 PolarHBondContact N-O 3.29Å; I254-Y266 PolarHBondContact O-N 2.75Å; V256-Y266 HydrophobicContact CG2-CD2 4.07Å; V256-Y266 HydrophobicContact CG2-CE2 4.04Å; E264-Y266 HydrophobicContact CB-CD2 4.22Å; E264-Y266 HydrophobicContact CB-CE2 3.56Å; E264-Y266 HydrophobicContact CG-CE2 4.37Å; E264-Y266 PolarHBondContact OE1-OH 3.04Å; E264-Y266 WeakPolarHBondContact OE2-CE2 3.43Å; E264-Y266 PolarHBondContact OE2-OH 3.41Å; Y266-P274 HydrophobicContact CD1-CB 4.33Å; Y266-T275 VanDerWaalsContact CA-O 3.28Å; Y266-T275 WeakPolarHBondContact CA-O 3.29Å; Y266-L276 HydrophobicContact CD1-CB 4.22Å; Y266-L276 HydrophobicContact CD1-CD1 4.5Å; Y266-L276 HydrophobicContact CE1-CB 3.95Å; Y266-L276 HydrophobicContact CE1-CD1 4.08Å; Y266-L276 HydrophobicContact CE2-CD1 4.16Å |
| 267 | G | 94.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 168.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | D253 T275 | D253-G267 WeakPolarHBondContact OD1-CA 3.29Å; G267-T275 PolarHBondContact N-O 3.28Å; G267-T275 PolarHBondContact O-N 2.82Å; G267-T275 PolarHBondContact O-OG1 2.89Å |
| 268 | F | 92.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 38 Ų | 38 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 150.7 | -177.9 | -64 | -85.1 | 0 | 0 | 0 | 112 | F196 W227 V251 N252 I254 S272 E273 P274 R277 | F196-F268 AromaticContact CE2-CE2 3.84Å; F196-F268 HydrophobicContact CE2-CE2 3.84Å; F196-F268 AromaticContact CE2-CZ 3.63Å; F196-F268 HydrophobicContact CE2-CZ 3.63Å; F196-F268 AromaticContact CZ-CE2 3.7Å; F196-F268 HydrophobicContact CZ-CE2 3.7Å; F196-F268 AromaticContact CZ-CZ 3.58Å; F196-F268 HydrophobicContact CZ-CZ 3.58Å; W227-F268 HydrophobicContact CZ2-CE1 4.14Å; W227-F268 HydrophobicContact CZ2-CZ 4.38Å; V251-F268 HydrophobicContact CG1-CD2 3.96Å; V251-F268 HydrophobicContact CG1-CE2 4.43Å; N252-F268 WeakPolarHBondContact O-CE2 3.41Å; I254-F268 HydrophobicContact CD1-CE1 4.41Å; I254-F268 HydrophobicContact CD1-CE2 4.49Å; I254-F268 HydrophobicContact CD1-CZ 3.76Å; I254-F268 HydrophobicContact CG1-CE2 4.37Å; I254-F268 HydrophobicContact CG1-CZ 4.09Å; F268-S272 WeakPolarHBondContact CD1-O 3.22Å; F268-E273 WeakPolarHBondContact CA-O 3.27Å; F268-P274 HydrophobicContact CE1-CB 4.37Å; F268-R277 PolarHBondContact O-NH2 3.31Å; F268-R277 VanDerWaalsContact O-NH2 3.16Å |
| 269 | D | 86.2 | Confident | 93.2 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | trans | -93.3 | -173.5 | 170.2 | 75.1 | -1.7 | 0 | 0 | 0 | 111.9 | S271 S272 E273 T275 | D269-S271 PolarHBondContact O-N 2.65Å; D269-S271 VanDerWaalsContact OD1-CA 3.24Å; D269-S271 WeakPolarHBondContact OD1-CA 3.43Å; D269-S271 VanDerWaalsContact OD1-CB 3.23Å; D269-S271 WeakPolarHBondContact OD1-CB 3.32Å; D269-S271 PolarHBondContact OD1-N 3.12Å; D269-S271 PolarHBondContact OD1-OG 2.98Å; D269-S271 PolarHBondContact OD2-OG 3.31Å; D269-S272 PolarHBondContact O-N 3.49Å; D269-S272 VanDerWaalsContact O-N 3.11Å; D269-S272 PolarHBondContact OD1-N 2.94Å; D269-E273 PolarHBondContact N-O 3.43Å; D269-E273 PolarHBondContact OD1-N 3.38Å; D269-T275 HydrophobicContact CB-CG2 3.86Å | ||
| 270 | S | 84.1 | Confident | 93.3 | Very high | 129 Ų | 129 | 43.3 Ų | 43.3 | 90% | 0.902 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20 | 177 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | S272 | S270-S272 VanDerWaalsContact C-N 3.33Š|
| 271 | S | 85.2 | Confident | 93.4 | Very high | 72 Ų | 72 | 46.3 Ų | 46.3 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -3.8 | 177.5 | -9.7 | 0 | 0 | 0 | 0 | 112.4 | D269 E273 | D269-S271 PolarHBondContact O-N 2.65Å; D269-S271 VanDerWaalsContact OD1-CA 3.24Å; D269-S271 WeakPolarHBondContact OD1-CA 3.43Å; D269-S271 VanDerWaalsContact OD1-CB 3.23Å; D269-S271 WeakPolarHBondContact OD1-CB 3.32Å; D269-S271 PolarHBondContact OD1-N 3.12Å; D269-S271 PolarHBondContact OD1-OG 2.98Å; D269-S271 PolarHBondContact OD2-OG 3.31Å; S271-E273 PolarHBondContact O-N 3.44Å |
| 272 | S | 85.6 | Confident | 93.3 | Very high | 84 Ų | 84 | 46.6 Ų | 46.6 | 59% | 0.587 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 62.7 | 26.4 | -167.5 | -48.4 | 0 | 0 | 0 | 0 | 113.4 | F268 D269 S270 | F268-S272 WeakPolarHBondContact CD1-O 3.22Å; D269-S272 PolarHBondContact O-N 3.49Å; D269-S272 VanDerWaalsContact O-N 3.11Å; D269-S272 PolarHBondContact OD1-N 2.94Å; S270-S272 VanDerWaalsContact C-N 3.33Å |
| 273 | E | 90.2 | Very high | 92.9 | Very high | 114 Ų | 114 | 51.6 Ų | 51.6 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | trans | -93.2 | 141 | 171.1 | -71.4 | -176.7 | 179.8 | 0 | 0 | 110.3 | F268 D269 S271 | F268-E273 WeakPolarHBondContact CA-O 3.27Å; D269-E273 PolarHBondContact N-O 3.43Å; D269-E273 PolarHBondContact OD1-N 3.38Å; S271-E273 PolarHBondContact O-N 3.44Å | ||
| 274 | P | 93.9 | Very high | 92.6 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 14% | 0.143 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 132.9 | 178.5 | 29.4 | -36.4 | 0 | 0 | 0 | 111.3 | W227 V229 Y266 F268 | W227-P274 HydrophobicContact CD2-CG 3.78Å; W227-P274 HydrophobicContact CE3-CG 3.6Å; W227-P274 HydrophobicContact CG-CG 4.41Å; W227-P274 HydrophobicContact CH2-CB 4.5Å; W227-P274 HydrophobicContact CH2-CG 4.17Å; W227-P274 HydrophobicContact CZ2-CG 4.28Å; W227-P274 HydrophobicContact CZ3-CG 3.82Å; V229-P274 HydrophobicContact CG2-CB 4.14Å; V229-P274 HydrophobicContact CG2-CG 3.3Å; Y266-P274 HydrophobicContact CD1-CB 4.33Å; F268-P274 HydrophobicContact CE1-CB 4.37Å |
| 275 | T | 93.5 | Very high | 92.6 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132 | 179.1 | 56 | 0 | 0 | 0 | 0 | 110.2 | Y266 G267 D269 R277 | Y266-T275 VanDerWaalsContact CA-O 3.28Å; Y266-T275 WeakPolarHBondContact CA-O 3.29Å; G267-T275 PolarHBondContact N-O 3.28Å; G267-T275 PolarHBondContact O-N 2.82Å; G267-T275 PolarHBondContact O-OG1 2.89Å; D269-T275 HydrophobicContact CB-CG2 3.86Å; T275-R277 WeakPolarHBondContact O-CG 3.46Å; T275-R277 PolarHBondContact O-N 2.99Å; T275-R277 PolarHBondContact OG1-NE 3.36Å |
| 276 | L | 94.8 | Very high | 92.6 | Very high | 68 Ų | 68 | 52.1 Ų | 52.1 | 36% | 0.356 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 123.4 | 179.4 | -176.5 | 68.1 | 0 | 0 | 0 | 110.2 | E264 Y266 F278 | E264-L276 HydrophobicContact CB-CD1 3.82Å; E264-L276 HydrophobicContact CG-CD1 4.19Å; Y266-L276 HydrophobicContact CD1-CB 4.22Å; Y266-L276 HydrophobicContact CD1-CD1 4.5Å; Y266-L276 HydrophobicContact CE1-CB 3.95Å; Y266-L276 HydrophobicContact CE1-CD1 4.08Å; Y266-L276 HydrophobicContact CE2-CD1 4.16Å; L276-F278 WeakPolarHBondContact CD1-O 3.39Å |
| 277 | R | 95.3 | Very high | 92.7 | Very high | 94 Ų | 94 | 51.5 Ų | 51.5 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -30.2 | -179.1 | -59.8 | -59.8 | -168.8 | 167.5 | 2.1 | 113.3 | I247 V265 F268 T275 | I247-R277 HydrophobicContact CD1-CB 4.34Å; I247-R277 HydrophobicContact CD1-CG 3.78Å; V265-R277 PolarHBondContact O-N 3.29Å; F268-R277 PolarHBondContact O-NH2 3.31Å; F268-R277 VanDerWaalsContact O-NH2 3.16Å; T275-R277 WeakPolarHBondContact O-CG 3.46Å; T275-R277 PolarHBondContact O-N 2.99Å; T275-R277 PolarHBondContact OG1-NE 3.36Å |
| 278 | F | 96.1 | Very high | 92.9 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 145.2 | -179.2 | 175.1 | -92 | 0 | 0 | 0 | 111 | L3 L5 E264 V265 L276 H280 L314 | L3-F278 HydrophobicContact CB-CB 4.27Å; L3-F278 HydrophobicContact CD2-CB 3.95Å; L3-F278 HydrophobicContact CG-CB 4.32Å; L3-F278 WeakPolarHBondContact O-CD2 3.43Å; L5-F278 HydrophobicContact CB-CE1 4.42Å; L5-F278 HydrophobicContact CB-CE2 3.91Å; L5-F278 HydrophobicContact CB-CZ 3.84Å; L5-F278 HydrophobicContact CD1-CD1 4.07Å; L5-F278 HydrophobicContact CD1-CE1 4.07Å; L5-F278 HydrophobicContact CD1-CG 4.32Å; L5-F278 HydrophobicContact CD1-CZ 4.31Å; L5-F278 HydrophobicContact CG-CD2 4.45Å; L5-F278 HydrophobicContact CG-CE2 4.32Å; L5-F278 HydrophobicContact CG-CZ 4.4Å; E264-F278 WeakPolarHBondContact CA-O 3.3Å; V265-F278 HydrophobicContact CB-CB 4.05Å; V265-F278 HydrophobicContact CG2-CB 4.14Å; V265-F278 HydrophobicContact CG2-CD1 4.06Å; V265-F278 PolarHBondContact N-O 3.41Å; V265-F278 PolarHBondContact O-N 2.75Å; L276-F278 WeakPolarHBondContact CD1-O 3.39Å; F278-H280 HydrophobicContact CE1-CB 3.55Å; F278-H280 HydrophobicContact CZ-CB 3.65Å; F278-L314 HydrophobicContact CE1-CD1 3.94Å; F278-L314 HydrophobicContact CZ-CD1 4.47Å |
| 279 | E | 96 | Very high | 93.2 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 132.8 | 177.3 | -177.8 | 176.3 | 161.9 | 0 | 0 | 109.7 | K233 K235 T262 V263 | K233-E279 IonicContact NZ-OE2 3.7Å; K235-E279 IonicContact NZ-OE1 3.2Å; K235-E279 PolarHBondContact NZ-OE1 2.91Å; K235-E279 IonicContact NZ-OE2 3.77Å; K235-E279 PolarHBondContact NZ-OE2 3.17Å; T262-E279 HydrophobicContact CG2-CG 4Å; V263-E279 WeakPolarHBondContact O-CA 3.21Å |
| 280 | H | 96.2 | Very high | 93.7 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 144 | 172.9 | -172.4 | 74.3 | 0 | 0 | 0 | 110.3 | T262 V263 F278 L314 | T262-H280 CarbonylContact C-O 3.58Å; V263-H280 PolarHBondContact N-O 3.43Å; V263-H280 PolarHBondContact O-N 3.06Å; F278-H280 HydrophobicContact CE1-CB 3.55Å; F278-H280 HydrophobicContact CZ-CB 3.65Å; H280-L314 HydrophobicContact CB-CD1 4.38Å |
| 281 | V | 95.3 | Very high | 94.3 | Very high | 80 Ų | 80 | 42.8 Ų | 42.8 | 49% | 0.485 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.9 | -178.3 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | T262 | T262-V281 HydrophobicContact CG2-CG2 4.41Å |
| 282 | L | 93.5 | Very high | 94.7 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | trans | -86.3 | 161.4 | 167.2 | -60.3 | 175.3 | 0 | 0 | 0 | 109.7 | G261 V263 E284 V286 T306 | G261-L282 WeakPolarHBondContact O-CB 3.27Å; G261-L282 PolarHBondContact O-N 3.15Å; V263-L282 HydrophobicContact CG2-CD1 3.98Å; V263-L282 HydrophobicContact CG2-CG 4.31Å; L282-E284 VanDerWaalsContact C-N 3.27Å; L282-E284 PolarHBondContact O-N 3.33Å; L282-V286 HydrophobicContact CD1-CG2 4.12Å; L282-T306 HydrophobicContact CD1-CG2 3.92Å | ||
| 283 | T | 89.1 | Confident | 95.1 | Very high | 109 Ų | 109 | 35.5 Ų | 35.5 | 67% | 0.669 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -80.7 | -7.4 | -174.7 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 284 | E | 92 | Very high | 95.3 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -139.9 | 160.5 | -167.8 | -66.6 | 172.3 | -174.8 | 0 | 0 | 109.5 | G261 L282 V286 T306 T308 E396 | G261-E284 WeakPolarHBondContact CA-O 3.16Å; L282-E284 VanDerWaalsContact C-N 3.27Å; L282-E284 PolarHBondContact O-N 3.33Å; E284-V286 PolarHBondContact O-N 2.86Å; E284-T306 HydrophobicContact CB-CG2 4.33Å; E284-T306 VanDerWaalsContact OE2-CB 3.29Å; E284-T306 WeakPolarHBondContact OE2-CB 3.49Å; E284-T306 PolarHBondContact OE2-OG1 2.85Å; E284-T308 HydrophobicContact CG-CG2 4.29Å; E284-T308 VanDerWaalsContact OE1-CG2 3.25Å; E284-T308 WeakPolarHBondContact OE1-CG2 3.49Å; E284-T308 PolarHBondContact OE1-OG1 2.92Å; E284-T308 VanDerWaalsContact OE2-CB 3.3Å; E284-T308 WeakPolarHBondContact OE2-CB 3.44Å; E284-T308 VanDerWaalsContact OE2-CG2 3.29Å; E284-T308 WeakPolarHBondContact OE2-CG2 3.48Å; E284-T308 PolarHBondContact OE2-N 3.36Å; E284-T308 PolarHBondContact OE2-OG1 2.94Å; E284-E396 WeakPolarHBondContact CA-OE1 3.37Å |
| 285 | S | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | trans | -61.1 | 136.6 | 177.9 | 62.8 | 0 | 0 | 0 | 0 | 111.9 | D259 T287 T306 Y307 E396 | D259-S285 VanDerWaalsContact O-CB 3.31Å; D259-S285 WeakPolarHBondContact O-CB 3.49Å; S285-T287 PolarHBondContact O-N 2.85Å; S285-T306 CarbonylContact O-C 3.59Å; S285-T306 VanDerWaalsContact O-CA 3.26Å; S285-T306 WeakPolarHBondContact O-CA 3.29Å; S285-Y307 PolarHBondContact O-N 3.4Å; S285-Y307 VanDerWaalsContact OG-CB 3.28Å; S285-Y307 WeakPolarHBondContact OG-CB 3.48Å; S285-E396 WeakPolarHBondContact CB-OE2 3.2Å; S285-E396 PolarHBondContact N-OE1 3.17Å; S285-E396 PolarHBondContact OG-OE1 3.08Å; S285-E396 PolarHBondContact OG-OE2 3.39Å | ||
| 286 | V | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 104.8 | 179.2 | -170.4 | 0 | 0 | 0 | 0 | 108.8 | L239 C240 R258 V263 L282 E284 T304 A305 | L239-V286 VanDerWaalsContact CB-O 3.29Å; L239-V286 WeakPolarHBondContact CB-O 3.48Å; C240-V286 PolarHBondContact SG-O 3.01Å; R258-V286 PolarHBondContact O-N 3.19Å; V263-V286 HydrophobicContact CG2-CG2 3.9Å; L282-V286 HydrophobicContact CD1-CG2 4.12Å; E284-V286 PolarHBondContact O-N 2.86Å; V286-T304 HydrophobicContact CG1-CG2 4.17Å; V286-A305 CarbonylContact C-O 3.56Å |
| 287 | T | 98.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -27.2 | -175 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | T16 S17 Q18 K19 S285 A305 | T16-T287 WeakPolarHBondContact OG1-CG2 3.41Å; T16-T287 PolarHBondContact OG1-OG1 3.17Å; S17-T287 WeakPolarHBondContact O-CB 3.21Å; Q18-T287 CarbonylContact C-O 3.54Å; Q18-T287 WeakPolarHBondContact CA-O 3.4Å; K19-T287 PolarHBondContact N-O 3.36Å; S285-T287 PolarHBondContact O-N 2.85Å; T287-A305 PolarHBondContact N-O 2.92Å; T287-A305 PolarHBondContact OG1-O 3.03Å; T287-A305 VanDerWaalsContact OG1-O 3.12Å |
| 288 | S | 98.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 148 | 177.7 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | K19 T20 M21 C240 T304 A305 | K19-S288 VanDerWaalsContact CA-OG 3.29Å; K19-S288 WeakPolarHBondContact CA-OG 3.43Å; K19-S288 PolarHBondContact N-OG 2.93Å; T20-S288 PolarHBondContact N-OG 3.31Å; M21-S288 PolarHBondContact N-OG 3.12Å; C240-S288 VanDerWaalsContact SG-CA 3.55Å; S288-T304 CarbonylContact O-C 3.56Å; S288-T304 WeakPolarHBondContact O-CA 3.18Å; S288-A305 PolarHBondContact N-O 3.03Å; S288-A305 PolarHBondContact O-N 3.03Å |
| 289 | I | 98.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.6 | 175.7 | -165.8 | 164.2 | 0 | 0 | 0 | 109.8 | C240 D242 L255 V263 V302 L303 T304 | C240-I289 HydrophobicContact CB-CG2 3.88Å; C240-I289 PolarHBondContact SG-N 3.38Å; C240-I289 VanDerWaalsContact SG-N 3.45Å; D242-I289 HydrophobicContact CB-CG2 4.1Å; L255-I289 HydrophobicContact CB-CD1 3.71Å; L255-I289 HydrophobicContact CB-CG1 4.02Å; V263-I289 HydrophobicContact CG1-CD1 3.87Å; I289-V302 HydrophobicContact CD1-CG1 3.69Å; I289-V302 HydrophobicContact CG1-CG1 3.71Å; I289-L303 CarbonylContact C-O 3.55Å; I289-L303 VanDerWaalsContact CA-O 3.32Å; I289-L303 WeakPolarHBondContact CA-O 3.29Å; I289-T304 HydrophobicContact CD1-CG2 4.32Å; I289-T304 HydrophobicContact CG1-CG2 4.13Å |
| 290 | Q | 97.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 140.2 | 174 | -74 | -68.2 | -69.9 | 0 | 0 | 110.3 | M21 L23 D242 L303 | M21-Q290 HydrophobicContact CE-CB 3.9Å; M21-Q290 HydrophobicContact CE-CG 3.83Å; L23-Q290 HydrophobicContact CD1-CB 3.78Å; L23-Q290 HydrophobicContact CG-CB 3.85Å; L23-Q290 HydrophobicContact CG-CG 4.31Å; D242-Q290 PolarHBondContact OD1-NE2 2.79Å; D242-Q290 WeakPolarHBondContact OD2-CA 3.49Å; Q290-L303 PolarHBondContact N-O 2.86Å; Q290-L303 PolarHBondContact O-N 2.95Å |
| 291 | G | 95.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 6% | 0.062 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D242 Y244 | D242-G291 PolarHBondContact OD2-N 3.44Å; Y244-G291 VanDerWaalsContact CD2-C 3.44Å; Y244-G291 WeakPolarHBondContact CD2-O 3.02Å |
| 292 | G | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | -153.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q33 D300 E301 | Q33-G292 VanDerWaalsContact OE1-CA 3.27Å; G292-D300 CarbonylContact O-C 3.56Å; G292-D300 WeakPolarHBondContact O-CA 3.24Å; G292-E301 PolarHBondContact N-O 3.34Å; G292-E301 VanDerWaalsContact O-CG 3.31Å; G292-E301 WeakPolarHBondContact O-CG 3.34Å; G292-E301 PolarHBondContact O-N 3.07Å |
| 293 | C | 93.6 | Very high | 94 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | trans | -137.4 | 111.8 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 109 | T32 Q33 K296 Y299 | T32-C293 CarbonylContact C-O 3.58Å; T32-C293 WeakPolarHBondContact CA-O 3.39Å; Q33-C293 PolarHBondContact N-O 2.92Å; Q33-C293 VanDerWaalsContact OE1-N 3.1Å; C293-K296 PolarHBondContact SG-O 3.01Å; C293-Y299 PolarHBondContact SG-O 3.23Å | ||
| 294 | V | 93.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -122.6 | -50.5 | -177 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | L23 T32 V35 M49 E301 L303 | L23-V294 HydrophobicContact CD2-CG2 3.63Å; T32-V294 VanDerWaalsContact CG2-O 3.28Å; T32-V294 WeakPolarHBondContact CG2-O 3.34Å; V35-V294 HydrophobicContact CG2-CG1 3.73Å; V35-V294 HydrophobicContact CG2-CG2 3.99Å; M49-V294 WeakPolarHBondContact CB-O 3.48Å; M49-V294 HydrophobicContact CG-CG1 3.88Å; M49-V294 WeakPolarHBondContact CG-O 3.45Å; V294-E301 WeakPolarHBondContact CB-OE1 3.46Å; V294-E301 VanDerWaalsContact CG2-OE1 3.27Å; V294-E301 WeakPolarHBondContact CG2-OE1 3.28Å; V294-E301 VanDerWaalsContact N-CD 3.32Å; V294-E301 PolarHBondContact N-OE2 2.9Å; V294-E301 VanDerWaalsContact N-OE2 3.07Å; V294-L303 HydrophobicContact CG2-CD2 4.31Å | ||
| 295 | G | 89.6 | Confident | 94.8 | Very high | 22 Ų | 22 | 22 Ų | 22 | 23% | 0.227 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -63.3 | -57.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y10 E301 | Y10-G295 WeakPolarHBondContact OH-CA 3.1Å; Y10-G295 PolarHBondContact OH-N 3.33Å; G295-E301 PolarHBondContact N-OE2 3.48Å |
| 296 | K | 88.8 | Confident | 94.8 | Very high | 97 Ų | 97 | 22.2 Ų | 22.2 | 42% | 0.422 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -142.9 | 135.9 | -174.9 | -172.1 | 176.5 | -179.4 | 173.6 | 0 | 110.8 | C293 Y299 E317 | C293-K296 PolarHBondContact SG-O 3.01Å; K296-Y299 HydrophobicContact CB-CD2 4.27Å; K296-Y299 HydrophobicContact CD-CD2 3.89Å; K296-Y299 HydrophobicContact CD-CE2 3.98Å; K296-Y299 HydrophobicContact CG-CD2 4.06Å; K296-Y299 HydrophobicContact CG-CE2 4.49Å; K296-Y299 PolarHBondContact O-N 3.39Å; K296-E317 VanDerWaalsContact CD-CD 3.47Å; K296-E317 WeakPolarHBondContact CD-OE1 3.3Å; K296-E317 WeakPolarHBondContact CD-OE2 3.43Å; K296-E317 WeakPolarHBondContact CE-OE1 3.36Å; K296-E317 IonicContact NZ-OE1 2.73Å; K296-E317 PolarHBondContact NZ-OE1 2.83Å |
| 297 | E | 87.4 | Confident | 94.8 | Very high | 120 Ų | 120 | 22.7 Ų | 22.7 | 56% | 0.561 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 141.6 | 178.9 | -63.8 | -176 | 167.6 | 0 | 0 | 111.8 | T32 Y299 | T32-E297 HydrophobicContact CG2-CG 3.81Å; E297-Y299 PolarHBondContact O-N 2.98Å |
| 298 | S | 87.3 | Confident | 94.7 | Very high | 66 Ų | 66 | 22.8 Ų | 22.8 | 46% | 0.462 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 2.3 | 179 | -50.7 | 0 | 0 | 0 | 0 | 117.5 | K30 | K30-S298 PolarHBondContact O-N 3.47Å; K30-S298 VanDerWaalsContact O-N 3.13Å |
| 299 | Y | 91.6 | Very high | 94.6 | Very high | 80 Ų | 80 | 22.7 Ų | 22.7 | 31% | 0.314 | 12% | 0.119 | S | C | . | . | trans | -107.3 | 117.5 | 168.3 | -67.9 | -81.3 | 0 | 0 | 0 | 109.3 | C293 K296 E297 E317 | C293-Y299 PolarHBondContact SG-O 3.23Å; K296-Y299 HydrophobicContact CB-CD2 4.27Å; K296-Y299 HydrophobicContact CD-CD2 3.89Å; K296-Y299 HydrophobicContact CD-CE2 3.98Å; K296-Y299 HydrophobicContact CG-CD2 4.06Å; K296-Y299 HydrophobicContact CG-CE2 4.49Å; K296-Y299 PolarHBondContact O-N 3.39Å; E297-Y299 PolarHBondContact O-N 2.98Å; Y299-E317 VanDerWaalsContact CD1-CA 3.43Å; Y299-E317 HydrophobicContact CD1-CB 3.86Å; Y299-E317 HydrophobicContact CD1-CG 4.39Å; Y299-E317 HydrophobicContact CD2-CB 4.29Å; Y299-E317 HydrophobicContact CD2-CG 4.39Å; Y299-E317 HydrophobicContact CE1-CB 4.3Å; Y299-E317 HydrophobicContact CE1-CG 4.38Å; Y299-E317 HydrophobicContact CE2-CG 4.39Å; Y299-E317 HydrophobicContact CG-CB 3.83Å; Y299-E317 HydrophobicContact CG-CG 4.37Å | ||
| 300 | D | 93.7 | Very high | 94.5 | Very high | 37 Ų | 37 | 26.8 Ų | 26.8 | 20% | 0.198 | 13% | 0.134 | C | C | . | . | trans | -74.2 | 148.1 | 175.9 | -63.1 | -53.7 | 0 | 0 | 0 | 110.2 | Y244 I246 G292 S316 | Y244-D300 HydrophobicContact CE1-CB 3.98Å; Y244-D300 PolarHBondContact OH-OD1 3.16Å; I246-D300 HydrophobicContact CD1-CB 3.47Å; I246-D300 VanDerWaalsContact CD1-CB 3.47Å; G292-D300 CarbonylContact O-C 3.56Å; G292-D300 WeakPolarHBondContact O-CA 3.24Å; D300-S316 PolarHBondContact N-OG 2.98Å; D300-S316 VanDerWaalsContact N-OG 3.16Å; D300-S316 WeakPolarHBondContact O-CB 3.43Å; D300-S316 PolarHBondContact O-N 3.25Å; D300-S316 PolarHBondContact O-OG 2.97Å | ||
| 301 | E | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 150.6 | -177.5 | 60.4 | 178.1 | -112.6 | 0 | 0 | 111.6 | Y10 G292 V294 G295 L314 | Y10-E301 VanDerWaalsContact OH-CD 3.31Å; Y10-E301 PolarHBondContact OH-OE1 3.5Å; Y10-E301 PolarHBondContact OH-OE2 3.1Å; G292-E301 PolarHBondContact N-O 3.34Å; G292-E301 VanDerWaalsContact O-CG 3.31Å; G292-E301 WeakPolarHBondContact O-CG 3.34Å; G292-E301 PolarHBondContact O-N 3.07Å; V294-E301 WeakPolarHBondContact CB-OE1 3.46Å; V294-E301 VanDerWaalsContact CG2-OE1 3.27Å; V294-E301 WeakPolarHBondContact CG2-OE1 3.28Å; V294-E301 VanDerWaalsContact N-CD 3.32Å; V294-E301 PolarHBondContact N-OE2 2.9Å; V294-E301 VanDerWaalsContact N-OE2 3.07Å; G295-E301 PolarHBondContact N-OE2 3.48Å; E301-L314 VanDerWaalsContact CA-O 3.26Å; E301-L314 WeakPolarHBondContact CA-O 3.13Å |
| 302 | V | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 108.8 | 163.7 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | L5 I246 L255 V263 V265 I289 T304 L314 | L5-V302 HydrophobicContact CD1-CB 4.46Å; L5-V302 HydrophobicContact CD1-CG2 3.94Å; I246-V302 HydrophobicContact CG1-CG2 4.18Å; L255-V302 HydrophobicContact CD1-CG1 4.28Å; L255-V302 HydrophobicContact CD1-CG2 4.12Å; L255-V302 HydrophobicContact CD2-CG2 3.84Å; V263-V302 HydrophobicContact CG1-CG1 4.24Å; V265-V302 HydrophobicContact CG2-CG2 4.22Å; I289-V302 HydrophobicContact CD1-CG1 3.69Å; I289-V302 HydrophobicContact CG1-CG1 3.71Å; V302-T304 HydrophobicContact CG1-CG2 4.32Å; V302-L314 HydrophobicContact CB-CB 4.23Å; V302-L314 PolarHBondContact N-O 2.99Å; V302-L314 PolarHBondContact O-N 2.91Å |
| 303 | L | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 134.1 | 176.7 | -170.8 | 72.4 | 0 | 0 | 0 | 110 | Y10 M21 L23 V35 I289 Q290 V294 V311 | Y10-L303 HydrophobicContact CD2-CD1 3.69Å; Y10-L303 HydrophobicContact CE2-CD1 3.54Å; M21-L303 HydrophobicContact CE-CB 4.28Å; M21-L303 HydrophobicContact CE-CD2 3.83Å; M21-L303 HydrophobicContact CE-CG 3.98Å; M21-L303 HydrophobicContact SD-CD2 3.46Å; M21-L303 WeakPolarHBondContact SD-CD2 3.45Å; M21-L303 HydrophobicContact SD-CG 3.76Å; L23-L303 HydrophobicContact CD2-CD2 3.6Å; L23-L303 HydrophobicContact CG-CD2 4.3Å; V35-L303 HydrophobicContact CB-CD2 4.35Å; V35-L303 HydrophobicContact CG1-CD2 3.81Å; V35-L303 HydrophobicContact CG2-CD2 3.57Å; I289-L303 CarbonylContact C-O 3.55Å; I289-L303 VanDerWaalsContact CA-O 3.32Å; I289-L303 WeakPolarHBondContact CA-O 3.29Å; Q290-L303 PolarHBondContact N-O 2.86Å; Q290-L303 PolarHBondContact O-N 2.95Å; V294-L303 HydrophobicContact CG2-CD2 4.31Å; L303-V311 HydrophobicContact CD1-CG1 3.81Å; L303-V311 HydrophobicContact CD2-CG1 4.35Å; L303-V311 HydrophobicContact CG-CG1 4.25Å |
| 304 | T | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148 | 179.7 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | V263 V286 S288 I289 V302 V311 T312 | V263-T304 HydrophobicContact CG1-CG2 4.26Å; V263-T304 HydrophobicContact CG2-CG2 3.93Å; V286-T304 HydrophobicContact CG1-CG2 4.17Å; S288-T304 CarbonylContact O-C 3.56Å; S288-T304 WeakPolarHBondContact O-CA 3.18Å; I289-T304 HydrophobicContact CD1-CG2 4.32Å; I289-T304 HydrophobicContact CG1-CG2 4.13Å; V302-T304 HydrophobicContact CG1-CG2 4.32Å; T304-V311 WeakPolarHBondContact O-CA 3.28Å; T304-T312 PolarHBondContact N-O 3.33Å; T304-T312 PolarHBondContact O-N 3.18Å; T304-T312 PolarHBondContact OG1-O 2.93Å |
| 305 | A | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | M21 I37 V286 T287 S288 W310 | M21-A305 HydrophobicContact CB-CB 4.14Å; M21-A305 HydrophobicContact SD-CB 4.02Å; I37-A305 HydrophobicContact CD1-CB 3.83Å; V286-A305 CarbonylContact C-O 3.56Å; T287-A305 PolarHBondContact N-O 2.92Å; T287-A305 PolarHBondContact OG1-O 3.03Å; T287-A305 VanDerWaalsContact OG1-O 3.12Å; S288-A305 PolarHBondContact N-O 3.03Å; S288-A305 PolarHBondContact O-N 3.03Å; A305-W310 CarbonylContact C-O 3.57Å; A305-W310 VanDerWaalsContact CA-O 3.3Å; A305-W310 WeakPolarHBondContact CA-O 3.35Å |
| 306 | T | 97.7 | Very high | 95 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 165.8 | 175.2 | 72.5 | 0 | 0 | 0 | 0 | 112.2 | T16 L282 E284 S285 T308 G309 W310 | T16-T306 PolarHBondContact OG1-O 2.82Å; L282-T306 HydrophobicContact CD1-CG2 3.92Å; E284-T306 HydrophobicContact CB-CG2 4.33Å; E284-T306 VanDerWaalsContact OE2-CB 3.29Å; E284-T306 WeakPolarHBondContact OE2-CB 3.49Å; E284-T306 PolarHBondContact OE2-OG1 2.85Å; S285-T306 CarbonylContact O-C 3.59Å; S285-T306 VanDerWaalsContact O-CA 3.26Å; S285-T306 WeakPolarHBondContact O-CA 3.29Å; T306-T308 VanDerWaalsContact C-N 3.29Å; T306-T308 PolarHBondContact O-N 2.97Å; T306-G309 WeakPolarHBondContact O-CA 3.48Å; T306-G309 PolarHBondContact O-N 2.93Å; T306-W310 HydrophobicContact CG2-CB 4.39Å; T306-W310 PolarHBondContact N-O 2.82Å; T306-W310 WeakPolarHBondContact OG1-CB 3.28Å; T306-W310 PolarHBondContact OG1-N 3.07Å |
| 307 | Y | 97.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 25.2 Ų | 25.2 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -40.3 | 178.3 | 172.8 | -107.3 | 0 | 0 | 0 | 113.8 | V15 T16 S285 G309 S377 N379 E396 P398 | V15-Y307 CarbonylContact C-O 3.56Å; V15-Y307 VanDerWaalsContact CA-O 3.22Å; V15-Y307 WeakPolarHBondContact CA-O 3.38Å; V15-Y307 HydrophobicContact CG1-CD1 4.36Å; V15-Y307 HydrophobicContact CG1-CD2 3.71Å; V15-Y307 HydrophobicContact CG1-CE1 4.03Å; V15-Y307 HydrophobicContact CG1-CE2 3.28Å; V15-Y307 HydrophobicContact CG1-CG 4.24Å; V15-Y307 VanDerWaalsContact CG1-CZ 3.47Å; V15-Y307 VanDerWaalsContact CG1-O 3.28Å; V15-Y307 WeakPolarHBondContact CG1-O 3.26Å; T16-Y307 PolarHBondContact N-O 3.44Å; S285-Y307 PolarHBondContact O-N 3.4Å; S285-Y307 VanDerWaalsContact OG-CB 3.28Å; S285-Y307 WeakPolarHBondContact OG-CB 3.48Å; Y307-G309 PolarHBondContact O-N 2.87Å; Y307-S377 PolarHBondContact OH-OG 3.45Å; Y307-N379 HydrophobicContact CD2-CB 4.26Å; Y307-N379 HydrophobicContact CE1-CB 4.25Å; Y307-N379 HydrophobicContact CE2-CB 3.64Å; Y307-E396 HydrophobicContact CD1-CG 3.56Å; Y307-E396 HydrophobicContact CE1-CG 3.9Å; Y307-E396 HydrophobicContact CG-CG 4.31Å; Y307-P398 HydrophobicContact CE1-CG 4.2Å |
| 308 | T | 95.4 | Very high | 94.9 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 6% | 0.055 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 5.5 | 178.1 | 77.1 | 0 | 0 | 0 | 0 | 114 | Q12 E284 T306 W310 T449 | Q12-T308 PolarHBondContact NE2-O 3.07Å; E284-T308 HydrophobicContact CG-CG2 4.29Å; E284-T308 VanDerWaalsContact OE1-CG2 3.25Å; E284-T308 WeakPolarHBondContact OE1-CG2 3.49Å; E284-T308 PolarHBondContact OE1-OG1 2.92Å; E284-T308 VanDerWaalsContact OE2-CB 3.3Å; E284-T308 WeakPolarHBondContact OE2-CB 3.44Å; E284-T308 VanDerWaalsContact OE2-CG2 3.29Å; E284-T308 WeakPolarHBondContact OE2-CG2 3.48Å; E284-T308 PolarHBondContact OE2-N 3.36Å; E284-T308 PolarHBondContact OE2-OG1 2.94Å; T306-T308 VanDerWaalsContact C-N 3.29Å; T306-T308 PolarHBondContact O-N 2.97Å; T308-W310 VanDerWaalsContact OG1-CD1 3.3Å; T308-T449 HydrophobicContact CG2-CG2 4.49Å |
| 309 | G | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | 91.5 | 11.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q12 V13 G14 T306 Y307 V311 | Q12-G309 CarbonylContact C-O 3.54Å; Q12-G309 WeakPolarHBondContact CA-O 2.96Å; V13-G309 WeakPolarHBondContact CG2-O 3.31Å; V13-G309 PolarHBondContact N-O 2.78Å; G14-G309 WeakPolarHBondContact O-CA 3.42Å; T306-G309 WeakPolarHBondContact O-CA 3.48Å; T306-G309 PolarHBondContact O-N 2.93Å; Y307-G309 PolarHBondContact O-N 2.87Å; G309-V311 PolarHBondContact O-N 3.37Å | ||
| 310 | W | 97.1 | Very high | 92.5 | Very high | 90 Ų | 90 | 33.4 Ų | 33.4 | 34% | 0.341 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 126.4 | 171.5 | -75.6 | 101.1 | 0 | 0 | 0 | 110.3 | D9 Q12 A305 T306 T308 | D9-W310 HydrophobicContact CB-CE3 4.39Å; D9-W310 HydrophobicContact CB-CZ3 4.35Å; Q12-W310 HydrophobicContact CB-CD2 4.11Å; Q12-W310 HydrophobicContact CB-CE3 4.04Å; Q12-W310 HydrophobicContact CB-CH2 4.36Å; Q12-W310 HydrophobicContact CB-CZ2 4.42Å; Q12-W310 HydrophobicContact CB-CZ3 4.17Å; Q12-W310 VanDerWaalsContact CD-CE2 3.46Å; Q12-W310 HydrophobicContact CG-CD2 3.95Å; Q12-W310 HydrophobicContact CG-CE3 4.4Å; Q12-W310 HydrophobicContact CG-CG 4.19Å; Q12-W310 HydrophobicContact CG-CZ2 4.38Å; A305-W310 CarbonylContact C-O 3.57Å; A305-W310 VanDerWaalsContact CA-O 3.3Å; A305-W310 WeakPolarHBondContact CA-O 3.35Å; T306-W310 HydrophobicContact CG2-CB 4.39Å; T306-W310 PolarHBondContact N-O 2.82Å; T306-W310 WeakPolarHBondContact OG1-CB 3.28Å; T306-W310 PolarHBondContact OG1-N 3.07Å; T308-W310 VanDerWaalsContact OG1-CD1 3.3Å |
| 311 | V | 97.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 111.3 | 172 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | Y10 T11 M21 V35 I37 F47 L303 T304 G309 | Y10-V311 WeakPolarHBondContact CB-O 3.22Å; Y10-V311 HydrophobicContact CD2-CG1 4.39Å; Y10-V311 PolarHBondContact N-O 3.02Å; T11-V311 HydrophobicContact CG2-CB 4.23Å; T11-V311 HydrophobicContact CG2-CG2 4.17Å; T11-V311 PolarHBondContact O-N 3.2Å; M21-V311 HydrophobicContact SD-CG1 4.42Å; V35-V311 HydrophobicContact CG1-CG1 4.48Å; I37-V311 HydrophobicContact CD1-CG2 3.44Å; I37-V311 VanDerWaalsContact CD1-CG2 3.44Å; F47-V311 HydrophobicContact CE1-CG1 4.34Å; F47-V311 HydrophobicContact CZ-CB 4.45Å; F47-V311 HydrophobicContact CZ-CG1 3.92Å; L303-V311 HydrophobicContact CD1-CG1 3.81Å; L303-V311 HydrophobicContact CD2-CG1 4.35Å; L303-V311 HydrophobicContact CG-CG1 4.25Å; T304-V311 WeakPolarHBondContact O-CA 3.28Å; G309-V311 PolarHBondContact O-N 3.37Å |
| 312 | T | 96.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.6 | -170.4 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | R7 L8 D9 T304 | R7-T312 HydrophobicContact CG-CG2 3.58Å; L8-T312 CarbonylContact O-C 3.53Å; L8-T312 WeakPolarHBondContact O-CA 3.46Å; D9-T312 WeakPolarHBondContact OD1-CB 3.33Å; D9-T312 WeakPolarHBondContact OD1-CG2 3.47Å; D9-T312 PolarHBondContact OD1-OG1 2.8Å; T304-T312 PolarHBondContact N-O 3.33Å; T304-T312 PolarHBondContact O-N 3.18Å; T304-T312 PolarHBondContact OG1-O 2.93Å |
| 313 | G | 96.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 139.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R7 L8 | R7-G313 CarbonylContact C-O 3.57Å; R7-G313 WeakPolarHBondContact CA-O 3.29Å; L8-G313 PolarHBondContact N-O 2.86Å; L8-G313 PolarHBondContact O-N 3.42Å |
| 314 | L | 96.8 | Very high | 82.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 95.3 | 167 | -59.2 | 171.6 | 0 | 0 | 0 | 106.9 | L5 H6 R7 V263 F278 H280 E301 V302 | L5-L314 HydrophobicContact CB-CB 3.84Å; L5-L314 HydrophobicContact CD1-CB 4Å; H6-L314 CarbonylContact O-C 3.52Å; H6-L314 WeakPolarHBondContact O-CA 3.25Å; R7-L314 HydrophobicContact CB-CD2 4.08Å; V263-L314 HydrophobicContact CB-CD1 4.29Å; V263-L314 HydrophobicContact CG1-CD1 3.84Å; F278-L314 HydrophobicContact CE1-CD1 3.94Å; F278-L314 HydrophobicContact CZ-CD1 4.47Å; H280-L314 HydrophobicContact CB-CD1 4.38Å; E301-L314 VanDerWaalsContact CA-O 3.26Å; E301-L314 WeakPolarHBondContact CA-O 3.13Å; V302-L314 HydrophobicContact CB-CB 4.23Å; V302-L314 PolarHBondContact N-O 2.99Å; V302-L314 PolarHBondContact O-N 2.91Å |
| 315 | T | 94.8 | Very high | 79.4 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 146.3 | -168.6 | -174.9 | 0 | 0 | 0 | 0 | 113.2 | L5 H6 E317 | L5-T315 CarbonylContact C-O 3.6Å; L5-T315 WeakPolarHBondContact CA-O 3.3Å; H6-T315 HydrophobicContact CB-CG2 4.33Å; H6-T315 PolarHBondContact N-O 3.39Å; H6-T315 PolarHBondContact O-N 3.04Å; T315-E317 HydrophobicContact CG2-CB 4Å; T315-E317 PolarHBondContact O-N 2.89Å; T315-E317 PolarHBondContact OG1-N 3.07Å; T315-E317 VanDerWaalsContact OG1-N 3.12Å |
| 316 | S | 93 | Very high | 76.7 | Confident | 42 Ų | 42 | 66.4 Ų | 66.4 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | trans | -74.9 | -5.4 | 168.3 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | D300 P318 | D300-S316 PolarHBondContact N-OG 2.98Å; D300-S316 VanDerWaalsContact N-OG 3.16Å; D300-S316 WeakPolarHBondContact O-CB 3.43Å; D300-S316 PolarHBondContact O-N 3.25Å; D300-S316 PolarHBondContact O-OG 2.97Å; S316-P318 VanDerWaalsContact O-CD 3.31Å; S316-P318 WeakPolarHBondContact O-CD 3.23Å | ||
| 317 | E | 90.2 | Very high | 74.1 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 28% | 0.276 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -62.3 | 121.7 | 176.4 | -177.6 | 171.3 | -159.7 | 0 | 0 | 110.8 | H6 K296 Y299 T315 Q319 | H6-E317 PolarHBondContact CD2-O 2.9Å; H6-E317 VanDerWaalsContact CD2-O 3.24Å; K296-E317 VanDerWaalsContact CD-CD 3.47Å; K296-E317 WeakPolarHBondContact CD-OE1 3.3Å; K296-E317 WeakPolarHBondContact CD-OE2 3.43Å; K296-E317 WeakPolarHBondContact CE-OE1 3.36Å; K296-E317 IonicContact NZ-OE1 2.73Å; K296-E317 PolarHBondContact NZ-OE1 2.83Å; Y299-E317 VanDerWaalsContact CD1-CA 3.43Å; Y299-E317 HydrophobicContact CD1-CB 3.86Å; Y299-E317 HydrophobicContact CD1-CG 4.39Å; Y299-E317 HydrophobicContact CD2-CB 4.29Å; Y299-E317 HydrophobicContact CD2-CG 4.39Å; Y299-E317 HydrophobicContact CE1-CB 4.3Å; Y299-E317 HydrophobicContact CE1-CG 4.38Å; Y299-E317 HydrophobicContact CE2-CG 4.39Å; Y299-E317 HydrophobicContact CG-CB 3.83Å; Y299-E317 HydrophobicContact CG-CG 4.37Å; T315-E317 HydrophobicContact CG2-CB 4Å; T315-E317 PolarHBondContact O-N 2.89Å; T315-E317 PolarHBondContact OG1-N 3.07Å; T315-E317 VanDerWaalsContact OG1-N 3.12Å; E317-Q319 PolarHBondContact O-N 3.21Å; E317-Q319 VanDerWaalsContact O-N 3.13Å |
| 318 | P | 83.1 | Confident | 71.7 | Confident | 82 Ų | 82 | 81.9 Ų | 81.9 | 53% | 0.532 | 45% | 0.445 | S | S | . | . | trans | -63.3 | 118.8 | 176.7 | -19 | 30.2 | 0 | 0 | 0 | 110.1 | S316 R320 | S316-P318 VanDerWaalsContact O-CD 3.31Å; S316-P318 WeakPolarHBondContact O-CD 3.23Å; P318-R320 PolarHBondContact O-N 2.92Å; P318-R320 VanDerWaalsContact O-N 3.08Å | ||
| 319 | Q | 72.1 | Confident | 69.5 | Low | 117 Ų | 117 | 88.2 Ų | 88.2 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | trans | -68.2 | 111.3 | 168.3 | -72.9 | -168 | -15.2 | 0 | 0 | 108.3 | H6 E317 A321 | H6-Q319 HydrophobicContact CB-CG 3.95Å; E317-Q319 PolarHBondContact O-N 3.21Å; E317-Q319 VanDerWaalsContact O-N 3.13Å; Q319-A321 PolarHBondContact O-N 2.6Å | ||
| 320 | R | 56.9 | Low | 67.4 | Low | 239 Ų | 239 | 98.2 Ų | 98.2 | 90% | 0.902 | 52% | 0.521 | S | S | * | . | trans | -64.2 | 102.1 | 168.8 | -75.2 | -174.8 | 178.7 | -175.9 | -0.5 | 107.7 | P318 E322 | P318-R320 PolarHBondContact O-N 2.92Å; P318-R320 VanDerWaalsContact O-N 3.08Å; R320-E322 PolarHBondContact O-N 3.36Å; R320-E322 VanDerWaalsContact O-N 3.08Å | ||
| 321 | A | 45.3 | Very low | 65.7 | Low | 92 Ų | 92 | 98.2 Ų | 98.2 | 76% | 0.76 | 53% | 0.526 | S | S | * | . | trans | -59.8 | 111.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | Q319 A323 | Q319-A321 PolarHBondContact O-N 2.6Å; A321-A323 PolarHBondContact O-N 2.71Å | ||
| 322 | E | 40.8 | Very low | 64.5 | Low | 158 Ų | 158 | 100.5 Ų | 100.5 | 74% | 0.738 | 54% | 0.542 | S | S | * | . | trans | -64.7 | 84.8 | 163.7 | -74.3 | -168.8 | 164.5 | 0 | 0 | 107.3 | R320 V324 | R320-E322 PolarHBondContact O-N 3.36Å; R320-E322 VanDerWaalsContact O-N 3.08Å; E322-V324 PolarHBondContact O-N 2.89Å | ||
| 323 | A | 39.3 | Very low | 63.5 | Low | 94 Ų | 94 | 109.2 Ų | 109.2 | 78% | 0.777 | 58% | 0.58 | S | S | * | * | trans | -69.2 | 109.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | A321 | A321-A323 PolarHBondContact O-N 2.71Š| ||
| 324 | V | 41.1 | Very low | 62.4 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 75% | 0.752 | 61% | 0.613 | S | S | * | * | trans | -136.7 | 132.9 | 159.1 | -170 | 0 | 0 | 0 | 0 | 108.8 | E322 G326 | E322-V324 PolarHBondContact O-N 2.89Å; V324-G326 PolarHBondContact O-N 2.73Å | ||
| 325 | Q | 40.6 | Very low | 61.4 | Low | 198 Ų | 198 | 119 Ų | 119 | 93% | 0.925 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -46.1 | 127.8 | 176.9 | -68.1 | 164.4 | -15.1 | 0 | 0 | 113 | ||
| 326 | G | 42.6 | Very low | 60.9 | Low | 65 Ų | 65 | 122.9 Ų | 122.9 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 126 | 141.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V324 E328 | V324-G326 PolarHBondContact O-N 2.73Å; G326-E328 PolarHBondContact O-N 3Å |
| 327 | D | 42.9 | Very low | 60.5 | Low | 182 Ų | 182 | 124.3 Ų | 124.3 | 97% | 0.973 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -68.2 | 25.2 | -167.9 | -129.2 | 2.8 | 0 | 0 | 0 | 115.7 | ||
| 328 | E | 46.3 | Very low | 60.1 | Low | 156 Ų | 156 | 127 Ų | 127 | 73% | 0.729 | 67% | 0.668 | S | S | * | * | trans | -127.1 | 107.9 | 178.4 | -72.7 | -172.7 | 169.8 | 0 | 0 | 110.9 | G326 R330 | G326-E328 PolarHBondContact O-N 3Å; E328-R330 PolarHBondContact O-N 2.84Å | ||
| 329 | V | 48.5 | Very low | 60.4 | Low | 143 Ų | 143 | 126.8 Ų | 126.8 | 87% | 0.867 | 66% | 0.662 | S | S | * | * | trans | -65.5 | 97.8 | 168.9 | -179 | 0 | 0 | 0 | 0 | 108.3 | M331 | V329-M331 PolarHBondContact O-N 3.31Å; V329-M331 VanDerWaalsContact O-N 3.15Å | ||
| 330 | R | 52.7 | Low | 61.3 | Low | 209 Ų | 209 | 127.8 Ų | 127.8 | 79% | 0.789 | 67% | 0.666 | S | S | * | * | trans | -69.7 | 110 | 171.9 | -80.5 | -175.4 | 174.5 | 178.3 | -0.4 | 109.1 | E328 | E328-R330 PolarHBondContact O-N 2.84Š| ||
| 331 | M | 61 | Low | 62.8 | Low | 91 Ų | 91 | 119.3 Ų | 119.3 | 45% | 0.448 | 65% | 0.647 | S | S | . | * | trans | -58 | 139.8 | 171.6 | -59.6 | -176.4 | 70.5 | 0 | 0 | 110.1 | V329 T335 Q336 I339 | V329-M331 PolarHBondContact O-N 3.31Å; V329-M331 VanDerWaalsContact O-N 3.15Å; M331-T335 HydrophobicContact CE-CG2 3.42Å; M331-T335 VanDerWaalsContact CE-CG2 3.42Å; M331-Q336 HydrophobicContact CB-CG 4.07Å; M331-I339 HydrophobicContact CE-CD1 3.29Å; M331-I339 HydrophobicContact SD-CD1 4.26Å | ||
| 332 | S | 72.4 | Confident | 64.9 | Low | 48 Ų | 48 | 119.7 Ų | 119.7 | 34% | 0.336 | 64% | 0.636 | S | S | . | * | trans | -58.8 | 149.7 | 177.1 | 84.4 | 0 | 0 | 0 | 0 | 110.7 | E334 T335 Q336 | S332-E334 PolarHBondContact O-N 2.82Å; S332-T335 PolarHBondContact O-N 3.39Å; S332-T335 PolarHBondContact OG-N 3.15Å; S332-T335 VanDerWaalsContact OG-N 3.12Å; S332-T335 PolarHBondContact OG-OG1 3.19Å; S332-Q336 PolarHBondContact O-N 2.77Å | ||
| 333 | K | 76 | Confident | 67.5 | Low | 183 Ų | 183 | 115 Ų | 115 | 80% | 0.796 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -56.6 | -32.8 | 177.3 | -70.1 | -175.4 | 179.3 | -179.9 | 0 | 112.5 | S337 | K333-S337 PolarHBondContact O-N 3.18Å |
| 334 | E | 73.1 | Confident | 70.1 | Confident | 147 Ų | 147 | 112.7 Ų | 112.7 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68 | -42.9 | 176.7 | -65.7 | -178.7 | 179.6 | 0 | 0 | 111.5 | S332 Q336 S337 K338 | S332-E334 PolarHBondContact O-N 2.82Å; E334-Q336 VanDerWaalsContact C-N 3.34Å; E334-Q336 PolarHBondContact O-N 2.96Å; E334-S337 PolarHBondContact O-N 3.36Å; E334-K338 WeakPolarHBondContact O-CG 3.47Å; E334-K338 PolarHBondContact O-N 3.38Å |
| 335 | T | 76.6 | Confident | 72.6 | Confident | 59 Ų | 59 | 111.9 Ų | 111.9 | 36% | 0.362 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.6 | -41.6 | 176.4 | -44 | 0 | 0 | 0 | 0 | 111.1 | M331 S332 K338 I339 | M331-T335 HydrophobicContact CE-CG2 3.42Å; M331-T335 VanDerWaalsContact CE-CG2 3.42Å; S332-T335 PolarHBondContact O-N 3.39Å; S332-T335 PolarHBondContact OG-N 3.15Å; S332-T335 VanDerWaalsContact OG-N 3.12Å; S332-T335 PolarHBondContact OG-OG1 3.19Å; T335-K338 PolarHBondContact O-N 3.38Å; T335-I339 HydrophobicContact CG2-CD1 4.18Å; T335-I339 VanDerWaalsContact O-CG1 3.3Å; T335-I339 WeakPolarHBondContact O-CG1 3.31Å; T335-I339 PolarHBondContact O-N 2.79Å |
| 336 | Q | 83.7 | Confident | 75.2 | Confident | 92 Ų | 92 | 107.1 Ų | 107.1 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.1 | -47.9 | 176.6 | -72.7 | 175.3 | -13.8 | 0 | 0 | 111.9 | M331 S332 E334 K338 I339 E340 | M331-Q336 HydrophobicContact CB-CG 4.07Å; S332-Q336 PolarHBondContact O-N 2.77Å; E334-Q336 VanDerWaalsContact C-N 3.34Å; E334-Q336 PolarHBondContact O-N 2.96Å; Q336-K338 VanDerWaalsContact C-N 3.31Å; Q336-K338 PolarHBondContact O-N 3.28Å; Q336-I339 PolarHBondContact O-N 3.33Å; Q336-I339 VanDerWaalsContact O-N 3.16Å; Q336-E340 WeakPolarHBondContact O-CG 3.45Å; Q336-E340 PolarHBondContact O-N 3.17Å |
| 337 | S | 84.5 | Confident | 77.7 | Confident | 73 Ų | 73 | 110.2 Ų | 110.2 | 51% | 0.51 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.3 | -37.7 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | K333 E334 E340 A341 | K333-S337 PolarHBondContact O-N 3.18Å; E334-S337 PolarHBondContact O-N 3.36Å; S337-E340 PolarHBondContact O-N 2.97Å; S337-A341 WeakPolarHBondContact O-CB 3.24Å; S337-A341 PolarHBondContact O-N 3.38Å; S337-A341 VanDerWaalsContact O-N 3.08Å |
| 338 | K | 82.6 | Confident | 80.2 | Confident | 115 Ų | 115 | 107.5 Ų | 107.5 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 174.2 | -75.6 | 179.7 | -179.4 | -178.2 | 0 | 111.9 | E334 T335 Q336 A341 L342 | E334-K338 WeakPolarHBondContact O-CG 3.47Å; E334-K338 PolarHBondContact O-N 3.38Å; T335-K338 PolarHBondContact O-N 3.38Å; Q336-K338 VanDerWaalsContact C-N 3.31Å; Q336-K338 PolarHBondContact O-N 3.28Å; K338-A341 PolarHBondContact O-N 3.07Å; K338-L342 WeakPolarHBondContact O-CB 3.37Å; K338-L342 VanDerWaalsContact O-CG 3.3Å; K338-L342 WeakPolarHBondContact O-CG 3.4Å; K338-L342 PolarHBondContact O-N 2.9Å |
| 339 | I | 88.7 | Confident | 82.6 | Confident | 77 Ų | 77 | 103.9 Ų | 103.9 | 40% | 0.395 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 177.7 | -71.1 | 166.9 | 0 | 0 | 0 | 110.8 | M331 T335 Q336 A341 L342 S343 | M331-I339 HydrophobicContact CE-CD1 3.29Å; M331-I339 HydrophobicContact SD-CD1 4.26Å; T335-I339 HydrophobicContact CG2-CD1 4.18Å; T335-I339 VanDerWaalsContact O-CG1 3.3Å; T335-I339 WeakPolarHBondContact O-CG1 3.31Å; T335-I339 PolarHBondContact O-N 2.79Å; Q336-I339 PolarHBondContact O-N 3.33Å; Q336-I339 VanDerWaalsContact O-N 3.16Å; I339-A341 VanDerWaalsContact C-N 3.35Å; I339-A341 PolarHBondContact O-N 2.96Å; I339-L342 PolarHBondContact O-N 2.62Å; I339-S343 WeakPolarHBondContact O-CB 3.4Å; I339-S343 PolarHBondContact O-N 3.3Å; I339-S343 PolarHBondContact O-OG 3.25Å; I339-S343 VanDerWaalsContact O-OG 3.12Å |
| 340 | E | 91 | Very high | 84.8 | Confident | 138 Ų | 138 | 102.8 Ų | 102.8 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.4 | -43.4 | 178.1 | -71.1 | 174.9 | -177.8 | 0 | 0 | 112.1 | Q336 S337 S343 A344 | Q336-E340 WeakPolarHBondContact O-CG 3.45Å; Q336-E340 PolarHBondContact O-N 3.17Å; S337-E340 PolarHBondContact O-N 2.97Å; E340-S343 PolarHBondContact O-N 2.96Å; E340-A344 PolarHBondContact O-N 2.91Å |
| 341 | A | 88.9 | Confident | 86.8 | Confident | 61 Ų | 61 | 96.5 Ų | 96.5 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | S337 K338 I339 A344 E345 | S337-A341 WeakPolarHBondContact O-CB 3.24Å; S337-A341 PolarHBondContact O-N 3.38Å; S337-A341 VanDerWaalsContact O-N 3.08Å; K338-A341 PolarHBondContact O-N 3.07Å; I339-A341 VanDerWaalsContact C-N 3.35Å; I339-A341 PolarHBondContact O-N 2.96Å; A341-A344 PolarHBondContact O-N 2.87Å; A341-E345 PolarHBondContact O-N 3.11Å |
| 342 | L | 90.6 | Very high | 88.5 | Confident | 101 Ų | 101 | 98.7 Ų | 98.7 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 176.8 | -73.3 | 170.1 | 0 | 0 | 0 | 112 | K338 I339 E345 L346 | K338-L342 WeakPolarHBondContact O-CB 3.37Å; K338-L342 VanDerWaalsContact O-CG 3.3Å; K338-L342 WeakPolarHBondContact O-CG 3.4Å; K338-L342 PolarHBondContact O-N 2.9Å; I339-L342 PolarHBondContact O-N 2.62Å; L342-E345 PolarHBondContact O-N 3.27Å; L342-L346 WeakPolarHBondContact O-CB 3.24Å; L342-L346 VanDerWaalsContact O-CG 3.23Å; L342-L346 WeakPolarHBondContact O-CG 3.44Å; L342-L346 PolarHBondContact O-N 2.86Å |
| 343 | S | 93.9 | Very high | 89.5 | Confident | 59 Ų | 59 | 99.7 Ų | 99.7 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.4 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | I339 E340 E345 L346 E347 | I339-S343 WeakPolarHBondContact O-CB 3.4Å; I339-S343 PolarHBondContact O-N 3.3Å; I339-S343 PolarHBondContact O-OG 3.25Å; I339-S343 VanDerWaalsContact O-OG 3.12Å; E340-S343 PolarHBondContact O-N 2.96Å; S343-E345 PolarHBondContact O-N 3.28Å; S343-L346 PolarHBondContact O-N 2.59Å; S343-E347 WeakPolarHBondContact O-CG 3.32Å; S343-E347 PolarHBondContact O-N 3.4Å |
| 344 | A | 94.4 | Very high | 90.4 | Very high | 45 Ų | 45 | 95.5 Ų | 95.5 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E340 A341 Q348 | E340-A344 PolarHBondContact O-N 2.91Å; A341-A344 PolarHBondContact O-N 2.87Å; A344-Q348 WeakPolarHBondContact O-CG 3.41Å; A344-Q348 PolarHBondContact O-N 2.57Å |
| 345 | E | 94.1 | Very high | 91.4 | Very high | 108 Ų | 108 | 93.5 Ų | 93.5 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 175.4 | -174.5 | 176 | -176.5 | 0 | 0 | 111.8 | A341 L342 S343 E347 Q348 L349 | A341-E345 PolarHBondContact O-N 3.11Å; L342-E345 PolarHBondContact O-N 3.27Å; S343-E345 PolarHBondContact O-N 3.28Å; E345-E347 PolarHBondContact O-N 2.93Å; E345-Q348 PolarHBondContact O-N 2.78Å; E345-L349 HydrophobicContact CG-CD1 3.95Å; E345-L349 HydrophobicContact CG-CG 4.37Å; E345-L349 WeakPolarHBondContact O-CB 3.48Å; E345-L349 WeakPolarHBondContact O-CG 3.5Å; E345-L349 PolarHBondContact O-N 3.43Å |
| 346 | L | 94.6 | Very high | 92.2 | Very high | 98 Ų | 98 | 92.2 Ų | 92.2 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 176.9 | -78 | 169.5 | 0 | 0 | 0 | 111.9 | L342 S343 Q348 L349 Q350 | L342-L346 WeakPolarHBondContact O-CB 3.24Å; L342-L346 VanDerWaalsContact O-CG 3.23Å; L342-L346 WeakPolarHBondContact O-CG 3.44Å; L342-L346 PolarHBondContact O-N 2.86Å; S343-L346 PolarHBondContact O-N 2.59Å; L346-Q348 PolarHBondContact O-N 3.04Å; L346-L349 PolarHBondContact O-N 2.89Å; L346-Q350 WeakPolarHBondContact O-CB 3.45Å; L346-Q350 WeakPolarHBondContact O-CG 3.38Å; L346-Q350 PolarHBondContact O-N 2.88Å |
| 347 | E | 95.4 | Very high | 92.5 | Very high | 129 Ų | 129 | 93.1 Ų | 93.1 | 60% | 0.603 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.9 | -45.3 | 176.9 | -73.6 | 179.5 | -178.5 | 0 | 0 | 111.7 | S343 E345 L349 Q350 V351 | S343-E347 WeakPolarHBondContact O-CG 3.32Å; S343-E347 PolarHBondContact O-N 3.4Å; E345-E347 PolarHBondContact O-N 2.93Å; E347-L349 PolarHBondContact O-N 2.93Å; E347-Q350 PolarHBondContact O-N 3.34Å; E347-V351 WeakPolarHBondContact O-CG2 3.46Å; E347-V351 PolarHBondContact O-N 3.26Å; E347-V351 VanDerWaalsContact O-N 3.15Å |
| 348 | Q | 96.1 | Very high | 92.9 | Very high | 125 Ų | 125 | 95.6 Ų | 95.6 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 178 | -70 | 178.8 | 19.3 | 0 | 0 | 112.3 | A344 E345 L346 K352 | A344-Q348 WeakPolarHBondContact O-CG 3.41Å; A344-Q348 PolarHBondContact O-N 2.57Å; E345-Q348 PolarHBondContact O-N 2.78Å; L346-Q348 PolarHBondContact O-N 3.04Å; Q348-K352 WeakPolarHBondContact O-CG 3.46Å; Q348-K352 PolarHBondContact O-N 3.39Å |
| 349 | L | 95.2 | Very high | 93.3 | Very high | 81 Ų | 81 | 96.3 Ų | 96.3 | 42% | 0.424 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 177.9 | -73.5 | 174.3 | 0 | 0 | 0 | 111.7 | E345 L346 E347 V351 K352 V353 | E345-L349 HydrophobicContact CG-CD1 3.95Å; E345-L349 HydrophobicContact CG-CG 4.37Å; E345-L349 WeakPolarHBondContact O-CB 3.48Å; E345-L349 WeakPolarHBondContact O-CG 3.5Å; E345-L349 PolarHBondContact O-N 3.43Å; L346-L349 PolarHBondContact O-N 2.89Å; E347-L349 PolarHBondContact O-N 2.93Å; L349-V351 VanDerWaalsContact C-N 3.35Å; L349-V351 PolarHBondContact O-N 3.11Å; L349-K352 PolarHBondContact O-N 3.03Å; L349-V353 WeakPolarHBondContact O-CB 3.23Å; L349-V353 VanDerWaalsContact O-CG2 3.29Å; L349-V353 WeakPolarHBondContact O-CG2 3.42Å; L349-V353 PolarHBondContact O-N 3.09Å |
| 350 | Q | 94.6 | Very high | 93.3 | Very high | 119 Ų | 119 | 97 Ų | 97 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.3 | -46.3 | 176 | -77.8 | 173.3 | 4.1 | 0 | 0 | 111.5 | L346 E347 K352 V353 L354 | L346-Q350 WeakPolarHBondContact O-CB 3.45Å; L346-Q350 WeakPolarHBondContact O-CG 3.38Å; L346-Q350 PolarHBondContact O-N 2.88Å; E347-Q350 PolarHBondContact O-N 3.34Å; Q350-K352 PolarHBondContact O-N 3.45Å; Q350-V353 PolarHBondContact O-N 2.91Å; Q350-L354 WeakPolarHBondContact O-CB 3.07Å; Q350-L354 VanDerWaalsContact O-CG 3.29Å; Q350-L354 WeakPolarHBondContact O-CG 3.39Å; Q350-L354 PolarHBondContact O-N 3.09Å |
| 351 | V | 96.2 | Very high | 93.2 | Very high | 78 Ų | 78 | 95.9 Ų | 95.9 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | E347 L349 V353 L354 Q355 | E347-V351 WeakPolarHBondContact O-CG2 3.46Å; E347-V351 PolarHBondContact O-N 3.26Å; E347-V351 VanDerWaalsContact O-N 3.15Å; L349-V351 VanDerWaalsContact C-N 3.35Å; L349-V351 PolarHBondContact O-N 3.11Å; V351-V353 PolarHBondContact O-N 3.47Å; V351-L354 PolarHBondContact O-N 3.48Å; V351-Q355 WeakPolarHBondContact O-CG 3.25Å; V351-Q355 PolarHBondContact O-N 3.37Å |
| 352 | K | 95.8 | Very high | 93.2 | Very high | 136 Ų | 136 | 99.4 Ų | 99.4 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 178.2 | -73.4 | 177.9 | -178.4 | 173 | 0 | 112.3 | Q348 L349 Q350 Q355 G356 | Q348-K352 WeakPolarHBondContact O-CG 3.46Å; Q348-K352 PolarHBondContact O-N 3.39Å; L349-K352 PolarHBondContact O-N 3.03Å; Q350-K352 PolarHBondContact O-N 3.45Å; K352-Q355 PolarHBondContact O-N 3.49Å; K352-G356 PolarHBondContact O-N 3.21Å |
| 353 | V | 93.8 | Very high | 93.1 | Very high | 70 Ų | 70 | 97.3 Ų | 97.3 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 178.4 | 169.4 | 0 | 0 | 0 | 0 | 111 | L349 Q350 V351 G356 R357 | L349-V353 WeakPolarHBondContact O-CB 3.23Å; L349-V353 VanDerWaalsContact O-CG2 3.29Å; L349-V353 WeakPolarHBondContact O-CG2 3.42Å; L349-V353 PolarHBondContact O-N 3.09Å; Q350-V353 PolarHBondContact O-N 2.91Å; V351-V353 PolarHBondContact O-N 3.47Å; V353-G356 PolarHBondContact O-N 2.95Å; V353-R357 HydrophobicContact CG1-CG 4.43Å; V353-R357 VanDerWaalsContact O-CG 3.31Å; V353-R357 WeakPolarHBondContact O-CG 3.49Å; V353-R357 PolarHBondContact O-N 3.33Å |
| 354 | L | 94.3 | Very high | 92.7 | Very high | 94 Ų | 94 | 97.4 Ų | 97.4 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 176.5 | -73.6 | 171.3 | 0 | 0 | 0 | 111.7 | Q350 V351 G356 R357 E358 | Q350-L354 WeakPolarHBondContact O-CB 3.07Å; Q350-L354 VanDerWaalsContact O-CG 3.29Å; Q350-L354 WeakPolarHBondContact O-CG 3.39Å; Q350-L354 PolarHBondContact O-N 3.09Å; V351-L354 PolarHBondContact O-N 3.48Å; L354-G356 VanDerWaalsContact C-N 3.32Å; L354-G356 PolarHBondContact O-N 3.43Å; L354-R357 WeakPolarHBondContact O-CB 3.12Å; L354-R357 PolarHBondContact O-N 2.89Å; L354-R357 VanDerWaalsContact O-N 3.16Å; L354-E358 PolarHBondContact O-N 3.05Å |
| 355 | Q | 94.8 | Very high | 92.2 | Very high | 105 Ų | 105 | 102.9 Ų | 102.9 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 175.3 | -70.7 | 175.5 | -4 | 0 | 0 | 111.8 | V351 K352 R357 E358 Q359 | V351-Q355 WeakPolarHBondContact O-CG 3.25Å; V351-Q355 PolarHBondContact O-N 3.37Å; K352-Q355 PolarHBondContact O-N 3.49Å; Q355-R357 VanDerWaalsContact C-N 3.35Å; Q355-R357 PolarHBondContact O-N 3.25Å; Q355-E358 PolarHBondContact O-N 3.46Å; Q355-Q359 WeakPolarHBondContact O-CG 3.49Å; Q355-Q359 PolarHBondContact O-N 3.05Å |
| 356 | G | 92.5 | Very high | 91.9 | Very high | 33 Ų | 33 | 100.3 Ų | 100.3 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K352 V353 L354 Q359 Y360 | K352-G356 PolarHBondContact O-N 3.21Å; V353-G356 PolarHBondContact O-N 2.95Å; L354-G356 VanDerWaalsContact C-N 3.32Å; L354-G356 PolarHBondContact O-N 3.43Å; G356-Q359 PolarHBondContact O-N 3.33Å; G356-Y360 WeakPolarHBondContact O-CB 3.16Å; G356-Y360 PolarHBondContact O-N 3.34Å |
| 357 | R | 90.7 | Very high | 91.2 | Very high | 111 Ų | 111 | 101.7 Ų | 101.7 | 42% | 0.419 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 175.9 | -74.4 | 175.4 | -172.5 | -179.3 | 2.8 | 112.2 | V353 L354 Q355 Y360 Q361 Q474 | V353-R357 HydrophobicContact CG1-CG 4.43Å; V353-R357 VanDerWaalsContact O-CG 3.31Å; V353-R357 WeakPolarHBondContact O-CG 3.49Å; V353-R357 PolarHBondContact O-N 3.33Å; L354-R357 WeakPolarHBondContact O-CB 3.12Å; L354-R357 PolarHBondContact O-N 2.89Å; L354-R357 VanDerWaalsContact O-N 3.16Å; Q355-R357 VanDerWaalsContact C-N 3.35Å; Q355-R357 PolarHBondContact O-N 3.25Å; R357-Y360 PolarHBondContact O-N 2.84Å; R357-Q361 WeakPolarHBondContact O-CB 3.48Å; R357-Q361 PolarHBondContact O-N 3.36Å; R357-Q474 VanDerWaalsContact CZ-CD 3.44Å; R357-Q474 VanDerWaalsContact NH2-OE1 3.07Å |
| 358 | E | 92.1 | Very high | 90.6 | Very high | 125 Ų | 125 | 101.4 Ų | 101.4 | 58% | 0.584 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 176.5 | -72.4 | 178.1 | -179.3 | 0 | 0 | 111.3 | L354 Q355 Y360 Q361 Q362 | L354-E358 PolarHBondContact O-N 3.05Å; Q355-E358 PolarHBondContact O-N 3.46Å; E358-Y360 PolarHBondContact O-N 2.87Å; E358-Q361 PolarHBondContact O-N 3.04Å; E358-Q362 VanDerWaalsContact O-CG 3.32Å; E358-Q362 WeakPolarHBondContact O-CG 3.43Å; E358-Q362 PolarHBondContact O-N 2.93Å |
| 359 | Q | 90.8 | Very high | 90 | Very high | 130 Ų | 130 | 97.7 Ų | 97.7 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -44.8 | 175.4 | -71.2 | 174 | 10.5 | 0 | 0 | 111.9 | Q355 G356 Q362 S363 | Q355-Q359 WeakPolarHBondContact O-CG 3.49Å; Q355-Q359 PolarHBondContact O-N 3.05Å; G356-Q359 PolarHBondContact O-N 3.33Å; Q359-Q362 PolarHBondContact O-N 3.01Å; Q359-S363 WeakPolarHBondContact O-CB 3.48Å; Q359-S363 PolarHBondContact O-N 2.66Å; Q359-S363 PolarHBondContact O-OG 3.3Å |
| 360 | Y | 88.9 | Confident | 89.6 | Confident | 91 Ų | 91 | 100.5 Ų | 100.5 | 36% | 0.357 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.1 | 176.1 | -98.9 | 0 | 0 | 0 | 111.5 | G356 R357 E358 Q362 S363 S364 S371 | G356-Y360 WeakPolarHBondContact O-CB 3.16Å; G356-Y360 PolarHBondContact O-N 3.34Å; R357-Y360 PolarHBondContact O-N 2.84Å; E358-Y360 PolarHBondContact O-N 2.87Å; Y360-Q362 VanDerWaalsContact C-N 3.34Å; Y360-Q362 PolarHBondContact O-N 2.86Å; Y360-S363 WeakPolarHBondContact CA-OG 3.31Å; Y360-S363 PolarHBondContact O-N 3.11Å; Y360-S363 PolarHBondContact O-OG 3.26Å; Y360-S364 WeakPolarHBondContact O-CB 3.44Å; Y360-S364 PolarHBondContact O-N 3.02Å; Y360-S371 WeakPolarHBondContact OH-CB 3.3Å; Y360-S371 PolarHBondContact OH-OG 2.54Å |
| 361 | Q | 88.6 | Confident | 89.1 | Confident | 115 Ų | 115 | 97.8 Ų | 97.8 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 177.7 | -170.1 | 73.6 | 27.2 | 0 | 0 | 111.7 | R357 E358 S364 | R357-Q361 WeakPolarHBondContact O-CB 3.48Å; R357-Q361 PolarHBondContact O-N 3.36Å; E358-Q361 PolarHBondContact O-N 3.04Å; Q361-S364 PolarHBondContact O-N 2.98Å; Q361-S364 PolarHBondContact O-OG 2.76Å |
| 362 | Q | 89.1 | Confident | 88.6 | Confident | 134 Ų | 134 | 98 Ų | 98 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.9 | -45.4 | 176 | -71.2 | 173.7 | 15.9 | 0 | 0 | 111.5 | E358 Q359 Y360 S364 Q365 | E358-Q362 VanDerWaalsContact O-CG 3.32Å; E358-Q362 WeakPolarHBondContact O-CG 3.43Å; E358-Q362 PolarHBondContact O-N 2.93Å; Q359-Q362 PolarHBondContact O-N 3.01Å; Y360-Q362 VanDerWaalsContact C-N 3.34Å; Y360-Q362 PolarHBondContact O-N 2.86Å; Q362-S364 VanDerWaalsContact C-N 3.29Å; Q362-S364 PolarHBondContact O-N 2.82Å; Q362-Q365 PolarHBondContact O-N 3.21Å |
| 363 | S | 88.8 | Confident | 88.2 | Confident | 57 Ų | 57 | 96.2 Ų | 96.2 | 40% | 0.399 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -32.7 | 178.8 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | Q359 Y360 Q365 S366 A369 | Q359-S363 WeakPolarHBondContact O-CB 3.48Å; Q359-S363 PolarHBondContact O-N 2.66Å; Q359-S363 PolarHBondContact O-OG 3.3Å; Y360-S363 WeakPolarHBondContact CA-OG 3.31Å; Y360-S363 PolarHBondContact O-N 3.11Å; Y360-S363 PolarHBondContact O-OG 3.26Å; S363-Q365 PolarHBondContact O-N 2.69Å; S363-S366 WeakPolarHBondContact O-CB 3.16Å; S363-S366 PolarHBondContact O-N 3.24Å; S363-A369 VanDerWaalsContact O-CB 3.25Å; S363-A369 WeakPolarHBondContact O-CB 3.41Å |
| 364 | S | 85.7 | Confident | 87.9 | Confident | 62 Ų | 62 | 94.8 Ų | 94.8 | 43% | 0.434 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -16.6 | -179.9 | 75.5 | 0 | 0 | 0 | 0 | 114.1 | Y360 Q361 Q362 S366 | Y360-S364 WeakPolarHBondContact O-CB 3.44Å; Y360-S364 PolarHBondContact O-N 3.02Å; Q361-S364 PolarHBondContact O-N 2.98Å; Q361-S364 PolarHBondContact O-OG 2.76Å; Q362-S364 VanDerWaalsContact C-N 3.29Å; Q362-S364 PolarHBondContact O-N 2.82Å; S364-S366 VanDerWaalsContact C-N 3.33Å |
| 365 | Q | 85.1 | Confident | 87.6 | Confident | 160 Ų | 160 | 97.9 Ų | 97.9 | 75% | 0.748 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -10.6 | 175.4 | -63.5 | 179.2 | -3.9 | 0 | 0 | 112.8 | Q362 S363 | Q362-Q365 PolarHBondContact O-N 3.21Å; S363-Q365 PolarHBondContact O-N 2.69Å |
| 366 | S | 87.3 | Confident | 87.4 | Confident | 53 Ų | 53 | 93.8 Ų | 93.8 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -78.2 | 133.3 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | S363 S364 T368 A369 | S363-S366 WeakPolarHBondContact O-CB 3.16Å; S363-S366 PolarHBondContact O-N 3.24Å; S364-S366 VanDerWaalsContact C-N 3.33Å; S366-T368 PolarHBondContact O-N 3.24Å; S366-T368 PolarHBondContact OG-N 2.8Å; S366-T368 PolarHBondContact OG-OG1 3.2Å; S366-T368 VanDerWaalsContact OG-OG1 3.08Å; S366-A369 PolarHBondContact O-N 2.83Å |
| 367 | S | 79.3 | Confident | 87.4 | Confident | 127 Ų | 127 | 94 Ų | 94 | 89% | 0.888 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -13.4 | 177.5 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 368 | T | 84.1 | Confident | 87.6 | Confident | 123 Ų | 123 | 89.3 Ų | 89.3 | 76% | 0.755 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -7.3 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | S366 | S366-T368 PolarHBondContact O-N 3.24Å; S366-T368 PolarHBondContact OG-N 2.8Å; S366-T368 PolarHBondContact OG-OG1 3.2Å; S366-T368 VanDerWaalsContact OG-OG1 3.08Å |
| 369 | A | 83.6 | Confident | 87.8 | Confident | 48 Ų | 48 | 86.5 Ų | 86.5 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | trans | -82.5 | 140 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111 | S363 S366 | S363-A369 VanDerWaalsContact O-CB 3.25Å; S363-A369 WeakPolarHBondContact O-CB 3.41Å; S366-A369 PolarHBondContact O-N 2.83Å | ||
| 370 | V | 84.8 | Confident | 88.1 | Confident | 139 Ų | 139 | 82.9 Ų | 82.9 | 84% | 0.842 | 49% | 0.486 | S | S | * | . | trans | -113.4 | 125.7 | 173.2 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | A372 | V370-A372 PolarHBondContact O-N 3.46Š| ||
| 371 | S | 84.8 | Confident | 88.3 | Confident | 63 Ų | 63 | 81 Ų | 81 | 44% | 0.441 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -76 | 122.9 | 174.7 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | Y360 | Y360-S371 WeakPolarHBondContact OH-CB 3.3Å; Y360-S371 PolarHBondContact OH-OG 2.54Å |
| 372 | A | 85.8 | Confident | 88.6 | Confident | 82 Ų | 82 | 77.4 Ų | 77.4 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 132.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V370 | V370-A372 PolarHBondContact O-N 3.46Š|
| 373 | V | 87.7 | Confident | 88.7 | Confident | 98 Ų | 98 | 73.7 Ų | 73.7 | 59% | 0.594 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 127.7 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | I375 T477 | V373-I375 PolarHBondContact O-N 3.17Å; V373-T477 WeakPolarHBondContact CG1-OG1 3.49Å |
| 374 | P | 87.3 | Confident | 88.8 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 26% | 0.26 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 125.6 | 175.5 | 24.7 | -31.1 | 0 | 0 | 0 | 109.6 | P475 T477 | P374-P475 HydrophobicContact CG-CG 3.99Å; P374-P475 WeakPolarHBondContact CG-O 3.4Å; P374-T477 HydrophobicContact CG-CG2 3.77Å |
| 375 | I | 87.9 | Confident | 88.9 | Confident | 160 Ų | 160 | 70.6 Ų | 70.6 | 82% | 0.821 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -89.7 | 135.4 | 175.4 | -56 | 173.6 | 0 | 0 | 0 | 107.5 | V373 | V373-I375 PolarHBondContact O-N 3.17Š|
| 376 | F | 91.5 | Very high | 88.9 | Confident | 18 Ų | 18 | 67 Ų | 67 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | trans | -135.3 | 152.8 | 174.8 | 61.7 | -85.2 | 0 | 0 | 0 | 109.3 | I378 V397 P471 L473 T477 Q479 | F376-I378 HydrophobicContact CD2-CG1 3.89Å; F376-I378 HydrophobicContact CE2-CD1 3.68Å; F376-I378 HydrophobicContact CE2-CG1 3.49Å; F376-I378 VanDerWaalsContact CE2-CG1 3.49Å; F376-I378 HydrophobicContact CZ-CD1 4.24Å; F376-I378 HydrophobicContact CZ-CG1 4.49Å; F376-V397 HydrophobicContact CD2-CG1 3.65Å; F376-V397 HydrophobicContact CE2-CG1 3.95Å; F376-P471 HydrophobicContact CD1-CG 4.01Å; F376-P471 HydrophobicContact CD2-CG 4.32Å; F376-P471 HydrophobicContact CE1-CG 3.75Å; F376-P471 HydrophobicContact CE2-CG 4.02Å; F376-P471 HydrophobicContact CG-CG 4.3Å; F376-P471 VanDerWaalsContact CZ-CD 3.47Å; F376-P471 HydrophobicContact CZ-CG 3.74Å; F376-L473 HydrophobicContact CB-CD1 4.31Å; F376-L473 HydrophobicContact CD1-CD1 4.27Å; F376-L473 HydrophobicContact CG-CD1 4.44Å; F376-T477 HydrophobicContact CD1-CG2 3.79Å; F376-T477 HydrophobicContact CE1-CG2 3.48Å; F376-T477 VanDerWaalsContact CE1-CG2 3.48Å; F376-Q479 HydrophobicContact CD1-CG 4.43Å; F376-Q479 HydrophobicContact CE1-CB 4.32Å; F376-Q479 HydrophobicContact CE1-CG 3.65Å; F376-Q479 HydrophobicContact CE2-CB 4.48Å; F376-Q479 HydrophobicContact CE2-CG 4.42Å; F376-Q479 HydrophobicContact CZ-CB 3.83Å; F376-Q479 HydrophobicContact CZ-CG 3.66Å; F376-Q479 PolarHBondContact O-NE2 2.9Å; F376-Q479 PolarHBondContact O-OE1 3.49Å | ||
| 377 | S | 92.4 | Very high | 88.5 | Confident | 38 Ų | 38 | 69 Ų | 69 | 27% | 0.266 | 42% | 0.415 | S | S | . | . | trans | -82.5 | 142.6 | 174.5 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | Y307 P398 | Y307-S377 PolarHBondContact OH-OG 3.45Å; S377-P398 WeakPolarHBondContact O-CD 3.07Å; S377-P398 WeakPolarHBondContact OG-CG 3.33Å | ||
| 378 | I | 95.3 | Very high | 88.7 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.062 | 38% | 0.381 | C | S | . | . | trans | -116.9 | 124.6 | 166.7 | -59.3 | 171 | 0 | 0 | 0 | 105.2 | F376 D380 L395 E396 V397 V469 Q479 R481 | F376-I378 HydrophobicContact CD2-CG1 3.89Å; F376-I378 HydrophobicContact CE2-CD1 3.68Å; F376-I378 HydrophobicContact CE2-CG1 3.49Å; F376-I378 VanDerWaalsContact CE2-CG1 3.49Å; F376-I378 HydrophobicContact CZ-CD1 4.24Å; F376-I378 HydrophobicContact CZ-CG1 4.49Å; I378-D380 HydrophobicContact CG2-CB 4.2Å; I378-L395 HydrophobicContact CG2-CD2 4.03Å; I378-E396 WeakPolarHBondContact CA-O 3.35Å; I378-V397 HydrophobicContact CG1-CG2 4.26Å; I378-V469 HydrophobicContact CD1-CB 3.84Å; I378-V469 HydrophobicContact CD1-CG1 4.4Å; I378-V469 HydrophobicContact CD1-CG2 3.84Å; I378-Q479 HydrophobicContact CD1-CB 3.74Å; I378-R481 HydrophobicContact CD1-CG 4.19Å; I378-R481 HydrophobicContact CG2-CG 4.49Å | ||
| 379 | N | 95.9 | Very high | 88.9 | Confident | 66 Ų | 66 | 58.8 Ų | 58.8 | 35% | 0.353 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 103.8 | 168.6 | 176.9 | 40.5 | 0 | 0 | 0 | 107 | Y307 E396 | Y307-N379 HydrophobicContact CD2-CB 4.26Å; Y307-N379 HydrophobicContact CE1-CB 4.25Å; Y307-N379 HydrophobicContact CE2-CB 3.64Å; N379-E396 HydrophobicContact CB-CB 4.17Å; N379-E396 PolarHBondContact N-O 3.4Å; N379-E396 PolarHBondContact ND2-OE2 2.63Å; N379-E396 PolarHBondContact O-N 3.41Å |
| 380 | D | 95.7 | Very high | 89.3 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 141.1 | -176.4 | 56.3 | -48.1 | 0 | 0 | 0 | 112.7 | I378 T394 L395 R481 Y483 | I378-D380 HydrophobicContact CG2-CB 4.2Å; D380-T394 CarbonylContact C-O 3.53Å; D380-T394 VanDerWaalsContact CA-O 3.3Å; D380-T394 WeakPolarHBondContact CA-O 3.32Å; D380-L395 HydrophobicContact CB-CD2 3.76Å; D380-R481 IonicContact OD1-NH1 2.69Å; D380-Y483 HydrophobicContact CB-CE1 4.34Å; D380-Y483 WeakPolarHBondContact CB-OH 3.27Å; D380-Y483 WeakPolarHBondContact OD2-CE1 3.25Å; D380-Y483 PolarHBondContact OD2-OH 3.07Å; D380-Y483 VanDerWaalsContact OD2-OH 3.12Å |
| 381 | K | 94 | Very high | 89.8 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 127.3 | 176.4 | -175.1 | -180 | -178.5 | -168.6 | 0 | 109.1 | T209 D259 T383 L393 T394 | T209-K381 PolarHBondContact O-NZ 3.24Å; D259-K381 IonicContact OD2-NZ 3.73Å; D259-K381 PolarHBondContact OD2-NZ 3.47Å; K381-T383 HydrophobicContact CD-CG2 4.22Å; K381-T383 HydrophobicContact CG-CG2 3.71Å; K381-L393 CarbonylContact O-C 3.59Å; K381-L393 WeakPolarHBondContact O-CA 3.27Å; K381-T394 PolarHBondContact N-O 3.42Å; K381-T394 PolarHBondContact O-N 2.7Å |
| 382 | F | 94.8 | Very high | 90.1 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 18% | 0.18 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 95.4 | 176.5 | -171.6 | -118.2 | 0 | 0 | 0 | 109.2 | Y391 S392 L393 V455 L465 Y483 | F382-Y391 AromaticContact CD1-CD1 3.75Å; F382-Y391 HydrophobicContact CD1-CD1 3.75Å; F382-Y391 HydrophobicContact CD1-CE1 4.11Å; F382-Y391 HydrophobicContact CD2-CD1 4.23Å; F382-Y391 AromaticContact CE1-CD1 3.35Å; F382-Y391 HydrophobicContact CE1-CD1 3.35Å; F382-Y391 AromaticContact CE1-CE1 3.67Å; F382-Y391 HydrophobicContact CE1-CE1 3.67Å; F382-Y391 AromaticContact CE1-CG 3.96Å; F382-Y391 HydrophobicContact CE1-CG 3.96Å; F382-Y391 VanDerWaalsContact CE2-CB 3.46Å; F382-Y391 AromaticContact CE2-CD1 3.89Å; F382-Y391 HydrophobicContact CE2-CD1 3.89Å; F382-Y391 AromaticContact CE2-CG 3.91Å; F382-Y391 HydrophobicContact CE2-CG 3.91Å; F382-Y391 HydrophobicContact CG-CD1 4.19Å; F382-Y391 AromaticContact CZ-CD1 3.43Å; F382-Y391 HydrophobicContact CZ-CD1 3.43Å; F382-Y391 VanDerWaalsContact CZ-CD1 3.43Å; F382-Y391 HydrophobicContact CZ-CD2 4.36Å; F382-Y391 HydrophobicContact CZ-CE1 4.13Å; F382-Y391 AromaticContact CZ-CG 3.55Å; F382-Y391 HydrophobicContact CZ-CG 3.55Å; F382-S392 WeakPolarHBondContact CA-O 3.03Å; F382-L393 HydrophobicContact CB-CD1 4.29Å; F382-L393 HydrophobicContact CD2-CB 3.84Å; F382-L393 HydrophobicContact CD2-CD1 4.03Å; F382-L393 HydrophobicContact CD2-CG 4.43Å; F382-L393 HydrophobicContact CE2-CB 4.27Å; F382-V455 HydrophobicContact CE2-CB 4.41Å; F382-V455 HydrophobicContact CE2-CG2 4.45Å; F382-L465 HydrophobicContact CE2-CD2 4.22Å; F382-L465 HydrophobicContact CZ-CD2 4.46Å; F382-Y483 HydrophobicContact CB-CD1 3.6Å; F382-Y483 HydrophobicContact CB-CE1 4.04Å; F382-Y483 HydrophobicContact CB-CG 4.23Å; F382-Y483 HydrophobicContact CD1-CD1 4.34Å; F382-Y483 HydrophobicContact CD1-CG 4.32Å; F382-Y483 AromaticContact CG-CD1 3.98Å; F382-Y483 HydrophobicContact CG-CD1 3.98Å; F382-Y483 HydrophobicContact CG-CG 4.12Å |
| 383 | T | 91.3 | Very high | 90.6 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.2 | -170.4 | 46.9 | 0 | 0 | 0 | 0 | 111.9 | K381 C385 Y391 S392 | K381-T383 HydrophobicContact CD-CG2 4.22Å; K381-T383 HydrophobicContact CG-CG2 3.71Å; T383-C385 PolarHBondContact O-N 2.88Å; T383-Y391 CarbonylContact O-C 3.6Å; T383-Y391 WeakPolarHBondContact O-CA 3.43Å; T383-S392 PolarHBondContact N-O 2.91Å; T383-S392 PolarHBondContact O-N 3.16Å |
| 384 | L | 91.9 | Very high | 90.9 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 120.6 | 174.1 | -179.5 | 64.2 | 0 | 0 | 0 | 109.9 | Y391 L490 Q492 T545 | L384-Y391 HydrophobicContact CB-CD1 4.35Å; L384-Y391 HydrophobicContact CB-CE1 4.09Å; L384-Y391 HydrophobicContact CD1-CD2 3.96Å; L384-Y391 HydrophobicContact CD1-CE2 3.78Å; L384-L490 HydrophobicContact CD1-CD2 4.27Å; L384-Q492 HydrophobicContact CD2-CB 4.46Å; L384-T545 HydrophobicContact CD2-CG2 3.7Å; L384-T545 HydrophobicContact CG-CG2 4.24Å |
| 385 | C | 87.6 | Confident | 91.3 | Very high | 36 Ų | 36 | 38.3 Ų | 38.3 | 24% | 0.243 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 124 | 171.8 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | T383 D388 A389 S390 | T383-C385 PolarHBondContact O-N 2.88Å; C385-D388 WeakPolarHBondContact CB-OD1 3.25Å; C385-A389 WeakPolarHBondContact O-CA 3.33Å; C385-A389 PolarHBondContact O-N 3Å; C385-S390 VanDerWaalsContact CB-O 3.27Å; C385-S390 WeakPolarHBondContact CB-O 3.4Å; C385-S390 PolarHBondContact N-O 3.26Å |
| 386 | Q | 83.7 | Confident | 91.7 | Very high | 83 Ų | 83 | 30.7 Ų | 30.7 | 39% | 0.388 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -38.5 | -179.2 | -174.3 | 177.5 | -0.6 | 0 | 0 | 111.9 | D388 H543 T545 | Q386-D388 PolarHBondContact O-N 2.88Å; Q386-H543 PolarHBondContact NE2-CE1 3.11Å; Q386-T545 HydrophobicContact CB-CG2 4.48Å; Q386-T545 HydrophobicContact CG-CG2 4.27Å |
| 387 | D | 79.8 | Confident | 91.9 | Very high | 97 Ų | 97 | 29.9 Ų | 29.9 | 52% | 0.519 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -35.6 | -170.9 | -71.1 | 1 | 0 | 0 | 0 | 114.4 | R234 | R234-D387 WeakPolarHBondContact CG-OD2 3.46Å; R234-D387 IonicContact CZ-OD2 3.81Å; R234-D387 IonicContact NE-OD2 3.84Å; R234-D387 PolarHBondContact NE-OD2 3.31Å; R234-D387 IonicContact NH2-OD2 3.1Å |
| 388 | D | 82.1 | Confident | 91.9 | Very high | 32 Ų | 32 | 29.7 Ų | 29.7 | 17% | 0.171 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 4.6 | -175.2 | 67.5 | 11.6 | 0 | 0 | 0 | 113.9 | C385 Q386 S390 K454 | C385-D388 WeakPolarHBondContact CB-OD1 3.25Å; Q386-D388 PolarHBondContact O-N 2.88Å; D388-S390 PolarHBondContact O-N 2.85Å; D388-S390 WeakPolarHBondContact OD1-CB 3.39Å; D388-S390 PolarHBondContact OD1-N 3.33Å; D388-S390 VanDerWaalsContact OD1-N 3.17Å; D388-S390 PolarHBondContact OD1-OG 3.29Å; D388-S390 PolarHBondContact OD2-OG 3.47Å; D388-K454 IonicContact OD2-NZ 2.93Å; D388-K454 PolarHBondContact OD2-NZ 3.19Å |
| 389 | A | 88.9 | Confident | 91.7 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 48.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C385 F546 R666 | C385-A389 WeakPolarHBondContact O-CA 3.33Å; C385-A389 PolarHBondContact O-N 3Å; A389-F546 HydrophobicContact CB-CB 3.7Å; A389-F546 HydrophobicContact CB-CD2 3.78Å; A389-F546 HydrophobicContact CB-CG 4.2Å; A389-R666 PolarHBondContact O-NH1 3.28Å; A389-R666 PolarHBondContact O-NH2 3.41Å |
| 390 | S | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154 | 174.1 | 75.9 | 0 | 0 | 0 | 0 | 110.7 | C385 D388 | C385-S390 VanDerWaalsContact CB-O 3.27Å; C385-S390 WeakPolarHBondContact CB-O 3.4Å; C385-S390 PolarHBondContact N-O 3.26Å; D388-S390 PolarHBondContact O-N 2.85Å; D388-S390 WeakPolarHBondContact OD1-CB 3.39Å; D388-S390 PolarHBondContact OD1-N 3.33Å; D388-S390 VanDerWaalsContact OD1-N 3.17Å; D388-S390 PolarHBondContact OD1-OG 3.29Å; D388-S390 PolarHBondContact OD2-OG 3.47Å |
| 391 | Y | 94.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 26.2 Ų | 26.2 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 132.6 | 172.8 | -76.2 | -101.1 | 0 | 0 | 0 | 109.8 | F382 T383 L384 K454 V455 S489 | F382-Y391 AromaticContact CD1-CD1 3.75Å; F382-Y391 HydrophobicContact CD1-CD1 3.75Å; F382-Y391 HydrophobicContact CD1-CE1 4.11Å; F382-Y391 HydrophobicContact CD2-CD1 4.23Å; F382-Y391 AromaticContact CE1-CD1 3.35Å; F382-Y391 HydrophobicContact CE1-CD1 3.35Å; F382-Y391 AromaticContact CE1-CE1 3.67Å; F382-Y391 HydrophobicContact CE1-CE1 3.67Å; F382-Y391 AromaticContact CE1-CG 3.96Å; F382-Y391 HydrophobicContact CE1-CG 3.96Å; F382-Y391 VanDerWaalsContact CE2-CB 3.46Å; F382-Y391 AromaticContact CE2-CD1 3.89Å; F382-Y391 HydrophobicContact CE2-CD1 3.89Å; F382-Y391 AromaticContact CE2-CG 3.91Å; F382-Y391 HydrophobicContact CE2-CG 3.91Å; F382-Y391 HydrophobicContact CG-CD1 4.19Å; F382-Y391 AromaticContact CZ-CD1 3.43Å; F382-Y391 HydrophobicContact CZ-CD1 3.43Å; F382-Y391 VanDerWaalsContact CZ-CD1 3.43Å; F382-Y391 HydrophobicContact CZ-CD2 4.36Å; F382-Y391 HydrophobicContact CZ-CE1 4.13Å; F382-Y391 AromaticContact CZ-CG 3.55Å; F382-Y391 HydrophobicContact CZ-CG 3.55Å; T383-Y391 CarbonylContact O-C 3.6Å; T383-Y391 WeakPolarHBondContact O-CA 3.43Å; L384-Y391 HydrophobicContact CB-CD1 4.35Å; L384-Y391 HydrophobicContact CB-CE1 4.09Å; L384-Y391 HydrophobicContact CD1-CD2 3.96Å; L384-Y391 HydrophobicContact CD1-CE2 3.78Å; Y391-K454 CarbonylContact O-C 3.59Å; Y391-K454 WeakPolarHBondContact O-CA 3.4Å; Y391-V455 PolarHBondContact N-O 2.76Å; Y391-V455 PolarHBondContact O-N 3.41Å; Y391-S489 VanDerWaalsContact CE2-O 3.25Å; Y391-S489 WeakPolarHBondContact CE2-O 3.46Å; Y391-S489 VanDerWaalsContact CZ-O 3.23Å; Y391-S489 WeakPolarHBondContact OH-CA 3.45Å; Y391-S489 WeakPolarHBondContact OH-CB 3.32Å; Y391-S489 PolarHBondContact OH-O 3.13Å |
| 392 | S | 93.1 | Very high | 91.6 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 116.3 | 164.7 | -177.5 | 0 | 0 | 0 | 0 | 109 | F382 T383 E452 | F382-S392 WeakPolarHBondContact CA-O 3.03Å; T383-S392 PolarHBondContact N-O 2.91Å; T383-S392 PolarHBondContact O-N 3.16Å; S392-E452 PolarHBondContact OG-OE1 3.32Å |
| 393 | L | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 109.6 | 169.2 | 176.6 | 58.4 | 0 | 0 | 0 | 108.6 | K381 F382 L395 L406 E452 L453 L465 Y483 | K381-L393 CarbonylContact O-C 3.59Å; K381-L393 WeakPolarHBondContact O-CA 3.27Å; F382-L393 HydrophobicContact CB-CD1 4.29Å; F382-L393 HydrophobicContact CD2-CB 3.84Å; F382-L393 HydrophobicContact CD2-CD1 4.03Å; F382-L393 HydrophobicContact CD2-CG 4.43Å; F382-L393 HydrophobicContact CE2-CB 4.27Å; L393-L395 HydrophobicContact CD1-CD2 4.33Å; L393-L395 HydrophobicContact CD1-CG 4.29Å; L393-L395 HydrophobicContact CD2-CD1 4.38Å; L393-L395 HydrophobicContact CG-CD1 4.47Å; L393-L395 HydrophobicContact CG-CG 4.28Å; L393-L406 HydrophobicContact CD2-CD2 4.24Å; L393-E452 WeakPolarHBondContact O-CA 3.29Å; L393-L453 HydrophobicContact CB-CB 4.32Å; L393-L453 HydrophobicContact CD2-CD1 4.28Å; L393-L453 PolarHBondContact N-O 2.79Å; L393-L453 PolarHBondContact O-N 3.15Å; L393-L465 HydrophobicContact CD2-CD2 4.28Å; L393-Y483 HydrophobicContact CD1-CD1 4.43Å; L393-Y483 HydrophobicContact CD1-CD2 4.13Å; L393-Y483 HydrophobicContact CD1-CE1 3.89Å; L393-Y483 HydrophobicContact CD1-CE2 3.53Å; L393-Y483 VanDerWaalsContact CD1-CZ 3.4Å; L393-Y483 HydrophobicContact CD2-CD2 4.36Å; L393-Y483 HydrophobicContact CD2-CE2 3.99Å; L393-Y483 HydrophobicContact CG-CE2 4.44Å |
| 394 | T | 94.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 22.7 Ų | 22.7 | 7% | 0.067 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.3 | 172.3 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | D380 K381 R450 L451 | D380-T394 CarbonylContact C-O 3.53Å; D380-T394 VanDerWaalsContact CA-O 3.3Å; D380-T394 WeakPolarHBondContact CA-O 3.32Å; K381-T394 PolarHBondContact N-O 3.42Å; K381-T394 PolarHBondContact O-N 2.7Å; T394-R450 HydrophobicContact CG2-CG 3.99Å; T394-R450 VanDerWaalsContact CG2-CZ 3.42Å; T394-R450 PolarHBondContact OG1-NH2 2.78Å; T394-L451 WeakPolarHBondContact CA-O 3.48Å |
| 395 | L | 95.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.7 | 177.3 | -68.3 | 168.7 | 0 | 0 | 0 | 109 | I378 D380 L393 L404 R450 L451 A467 V469 Y483 | I378-L395 HydrophobicContact CG2-CD2 4.03Å; D380-L395 HydrophobicContact CB-CD2 3.76Å; L393-L395 HydrophobicContact CD1-CD2 4.33Å; L393-L395 HydrophobicContact CD1-CG 4.29Å; L393-L395 HydrophobicContact CD2-CD1 4.38Å; L393-L395 HydrophobicContact CG-CD1 4.47Å; L393-L395 HydrophobicContact CG-CG 4.28Å; L395-L404 HydrophobicContact CD1-CD1 3.66Å; L395-L404 HydrophobicContact CD1-CD2 3.55Å; L395-L404 HydrophobicContact CD1-CG 4.27Å; L395-R450 CarbonylContact O-C 3.59Å; L395-R450 WeakPolarHBondContact O-CA 3.48Å; L395-L451 PolarHBondContact N-O 2.89Å; L395-L451 PolarHBondContact O-N 3.38Å; L395-A467 HydrophobicContact CD1-CB 4.17Å; L395-V469 HydrophobicContact CD1-CG2 4.19Å; L395-V469 HydrophobicContact CD2-CG2 4.37Å; L395-Y483 WeakPolarHBondContact CD2-OH 3.44Å |
| 396 | E | 95.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.4 | -178.9 | -174.3 | 179 | -147.4 | 0 | 0 | 111.5 | E284 S285 Y307 I378 N379 T449 R450 | E284-E396 WeakPolarHBondContact CA-OE1 3.37Å; S285-E396 WeakPolarHBondContact CB-OE2 3.2Å; S285-E396 PolarHBondContact N-OE1 3.17Å; S285-E396 PolarHBondContact OG-OE1 3.08Å; S285-E396 PolarHBondContact OG-OE2 3.39Å; Y307-E396 HydrophobicContact CD1-CG 3.56Å; Y307-E396 HydrophobicContact CE1-CG 3.9Å; Y307-E396 HydrophobicContact CG-CG 4.31Å; I378-E396 WeakPolarHBondContact CA-O 3.35Å; N379-E396 HydrophobicContact CB-CB 4.17Å; N379-E396 PolarHBondContact N-O 3.4Å; N379-E396 PolarHBondContact ND2-OE2 2.63Å; N379-E396 PolarHBondContact O-N 3.41Å; E396-T449 CarbonylContact C-O 3.59Å; E396-T449 WeakPolarHBondContact CA-O 3.34Å; E396-R450 HydrophobicContact CB-CB 4.27Å; E396-R450 HydrophobicContact CB-CG 4.25Å; E396-R450 HydrophobicContact CG-CB 4.07Å; E396-R450 HydrophobicContact CG-CG 4.45Å |
| 397 | V | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -129.8 | 144.1 | -172 | -173.3 | 0 | 0 | 0 | 0 | 110 | F376 I378 T399 I401 T449 V469 P471 | F376-V397 HydrophobicContact CD2-CG1 3.65Å; F376-V397 HydrophobicContact CE2-CG1 3.95Å; I378-V397 HydrophobicContact CG1-CG2 4.26Å; V397-T399 PolarHBondContact O-N 3.18Å; V397-I401 HydrophobicContact CB-CG1 4.3Å; V397-I401 HydrophobicContact CG2-CD1 4.24Å; V397-I401 HydrophobicContact CG2-CG1 4.09Å; V397-T449 PolarHBondContact N-O 2.86Å; V397-T449 WeakPolarHBondContact O-CB 3.37Å; V397-V469 HydrophobicContact CG2-CG1 3.73Å; V397-P471 HydrophobicContact CG1-CB 4.14Å | ||
| 398 | P | 92.5 | Very high | 93.8 | Very high | 34 Ų | 34 | 15.2 Ų | 15.2 | 22% | 0.221 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -59.9 | -17.6 | -179.9 | -28.2 | 37 | 0 | 0 | 0 | 115.4 | V15 Y307 S377 | V15-P398 HydrophobicContact CG1-CG 4.46Å; V15-P398 HydrophobicContact CG2-CB 3.64Å; V15-P398 HydrophobicContact CG2-CG 3.34Å; Y307-P398 HydrophobicContact CE1-CG 4.2Å; S377-P398 WeakPolarHBondContact O-CD 3.07Å; S377-P398 WeakPolarHBondContact OG-CG 3.33Å |
| 399 | T | 92.3 | Very high | 94.3 | Very high | 44 Ų | 44 | 16.8 Ų | 16.8 | 27% | 0.27 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -131.1 | 155.6 | -180 | 57 | 0 | 0 | 0 | 0 | 109.3 | V397 I401 P471 L473 | V397-T399 PolarHBondContact O-N 3.18Å; T399-I401 PolarHBondContact O-N 3.48Å; T399-P471 WeakPolarHBondContact OG1-CB 3.4Å; T399-L473 HydrophobicContact CG2-CD2 3.74Å; T399-L473 HydrophobicContact CG2-CG 4.45Å |
| 400 | A | 93.2 | Very high | 94.5 | Very high | 15 Ų | 15 | 17.1 Ų | 17.1 | 12% | 0.124 | 10% | 0.097 | C | C | . | . | trans | -54.4 | 134.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N447 T448 R472 | A400-N447 HydrophobicContact CB-CB 4.26Å; A400-T448 CarbonylContact C-O 3.57Å; A400-T448 WeakPolarHBondContact CA-O 3.16Å; A400-R472 WeakPolarHBondContact O-CB 3.39Å; A400-R472 WeakPolarHBondContact O-CG 3.03Å; A400-R472 PolarHBondContact O-N 2.66Å | ||
| 401 | I | 94.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 134.6 | 177.1 | -59.1 | 170.4 | 0 | 0 | 0 | 108.3 | V397 T399 C444 T448 L451 | V397-I401 HydrophobicContact CB-CG1 4.3Å; V397-I401 HydrophobicContact CG2-CD1 4.24Å; V397-I401 HydrophobicContact CG2-CG1 4.09Å; T399-I401 PolarHBondContact O-N 3.48Å; I401-C444 HydrophobicContact CB-CB 4.46Å; I401-C444 VanDerWaalsContact O-CB 3.3Å; I401-C444 WeakPolarHBondContact O-CB 3.32Å; I401-T448 PolarHBondContact N-O 2.78Å; I401-L451 HydrophobicContact CD1-CB 4.08Å |
| 402 | D | 94.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 19.2 Ų | 19.2 | 15% | 0.15 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -56.5 | 171.2 | -173.6 | 29.5 | 0 | 0 | 0 | 109.1 | C444 T470 R472 K476 | D402-C444 PolarHBondContact O-N 2.86Å; D402-C444 VanDerWaalsContact O-N 3.16Å; D402-T470 HydrophobicContact CB-CG2 4.35Å; D402-T470 WeakPolarHBondContact CB-O 3.16Å; D402-T470 PolarHBondContact N-O 3.01Å; D402-R472 HydrophobicContact CB-CG 3.81Å; D402-K476 IonicContact OD2-NZ 2.66Å; D402-K476 PolarHBondContact OD2-NZ 3.03Å |
| 403 | N | 95.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 22.3 Ų | 22.3 | 24% | 0.235 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 155.4 | 176.4 | 63.9 | 88.4 | 0 | 0 | 0 | 111.6 | T441 Y442 T470 | N403-T441 HydrophobicContact CB-CG2 4.49Å; N403-Y442 CarbonylContact C-O 3.54Å; N403-Y442 VanDerWaalsContact CA-O 3.22Å; N403-Y442 WeakPolarHBondContact CA-O 3.36Å; N403-T470 PolarHBondContact N-O 2.92Å; N403-T470 PolarHBondContact O-N 2.79Å |
| 404 | L | 96.4 | Very high | 94 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.5 | 170.5 | 166.9 | 68.3 | 0 | 0 | 0 | 108.4 | L395 L406 T441 Y442 L451 L453 A467 Y468 V469 | L395-L404 HydrophobicContact CD1-CD1 3.66Å; L395-L404 HydrophobicContact CD1-CD2 3.55Å; L395-L404 HydrophobicContact CD1-CG 4.27Å; L404-L406 HydrophobicContact CD1-CD2 4.21Å; L404-L406 HydrophobicContact CD2-CD2 4.09Å; L404-L406 HydrophobicContact CD2-CG 4.42Å; L404-L406 HydrophobicContact CG-CD2 4.17Å; L404-L406 HydrophobicContact CG-CG 4.39Å; L404-T441 CarbonylContact O-C 3.42Å; L404-T441 WeakPolarHBondContact O-CA 3.39Å; L404-Y442 PolarHBondContact N-O 3.03Å; L404-Y442 PolarHBondContact O-N 3.42Å; L404-L451 HydrophobicContact CB-CD2 4.08Å; L404-L451 HydrophobicContact CD2-CD2 3.51Å; L404-L451 HydrophobicContact CG-CD2 4.45Å; L404-L453 HydrophobicContact CD2-CD1 3.44Å; L404-L453 VanDerWaalsContact CD2-CD1 3.44Å; L404-A467 HydrophobicContact CD1-CB 3.91Å; L404-Y468 WeakPolarHBondContact CA-O 3.28Å; L404-V469 HydrophobicContact CD1-CG2 4Å |
| 405 | L | 97 | Very high | 93.7 | Very high | 56 Ų | 56 | 24.9 Ų | 24.9 | 29% | 0.293 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130 | 169.9 | -176.6 | 157.1 | 0 | 0 | 0 | 109.6 | Q407 A440 A467 Y468 | L405-Q407 HydrophobicContact CD2-CB 4.14Å; L405-A440 CarbonylContact C-O 3.59Å; L405-A440 WeakPolarHBondContact CA-O 3.41Å; L405-A467 CarbonylContact O-C 3.56Å; L405-A467 WeakPolarHBondContact O-CA 3.38Å; L405-Y468 HydrophobicContact CB-CD2 4.45Å; L405-Y468 HydrophobicContact CD2-CD2 3.51Å; L405-Y468 HydrophobicContact CD2-CE2 3.93Å; L405-Y468 HydrophobicContact CD2-CG 4.36Å; L405-Y468 PolarHBondContact N-O 3.48Å; L405-Y468 PolarHBondContact O-N 3.41Å |
| 406 | L | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.8 | 172.6 | -60.8 | 176.4 | 0 | 0 | 0 | 109.3 | L393 L404 L414 L439 A440 Y442 L453 L465 Q466 A467 | L393-L406 HydrophobicContact CD2-CD2 4.24Å; L404-L406 HydrophobicContact CD1-CD2 4.21Å; L404-L406 HydrophobicContact CD2-CD2 4.09Å; L404-L406 HydrophobicContact CD2-CG 4.42Å; L404-L406 HydrophobicContact CG-CD2 4.17Å; L404-L406 HydrophobicContact CG-CG 4.39Å; L406-L414 HydrophobicContact CD1-CD1 3.82Å; L406-L414 HydrophobicContact CD1-CD2 4.02Å; L406-L439 WeakPolarHBondContact O-CA 3.23Å; L406-A440 HydrophobicContact CB-CB 4.39Å; L406-A440 PolarHBondContact N-O 2.91Å; L406-A440 PolarHBondContact O-N 3.1Å; L406-Y442 HydrophobicContact CD1-CD2 4.17Å; L406-Y442 HydrophobicContact CD1-CE2 3.69Å; L406-Y442 HydrophobicContact CG-CE2 4.49Å; L406-L453 HydrophobicContact CD1-CD1 3.67Å; L406-L453 HydrophobicContact CD2-CD1 4.2Å; L406-L453 HydrophobicContact CG-CD1 4.35Å; L406-L465 HydrophobicContact CB-CD1 4.44Å; L406-Q466 VanDerWaalsContact CA-O 3.32Å; L406-Q466 WeakPolarHBondContact CA-O 3.47Å; L406-A467 HydrophobicContact CD2-CB 3.91Å |
| 407 | Q | 95.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 33 Ų | 33 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.5 | 173.2 | 176.2 | -82.3 | -33.5 | 0 | 0 | 108.5 | L405 N436 L438 L439 Q466 Y468 | L405-Q407 HydrophobicContact CD2-CB 4.14Å; Q407-N436 HydrophobicContact CG-CB 4.41Å; Q407-N436 VanDerWaalsContact CG-OD1 3.23Å; Q407-N436 WeakPolarHBondContact CG-OD1 3.26Å; Q407-N436 PolarHBondContact NE2-OD1 3.29Å; Q407-L438 WeakPolarHBondContact CA-O 3.47Å; Q407-L439 HydrophobicContact CB-CD2 3.83Å; Q407-L439 HydrophobicContact CG-CD2 3.74Å; Q407-Q466 HydrophobicContact CB-CB 4.46Å; Q407-Q466 PolarHBondContact N-O 2.68Å; Q407-Q466 PolarHBondContact O-N 2.88Å; Q407-Q466 VanDerWaalsContact OE1-CD 3.24Å; Q407-Q466 VanDerWaalsContact OE1-CG 3.23Å; Q407-Y468 HydrophobicContact CB-CE2 4.17Å |
| 408 | S | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.9 | 176.4 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | V410 N436 F437 L438 | S408-V410 VanDerWaalsContact C-N 3.31Å; S408-V410 WeakPolarHBondContact CB-O 3.2Å; S408-V410 WeakPolarHBondContact OG-CG2 3.37Å; S408-V410 PolarHBondContact OG-N 2.81Å; S408-V410 PolarHBondContact OG-O 2.9Å; S408-N436 CarbonylContact O-C 3.5Å; S408-N436 WeakPolarHBondContact O-CA 3.48Å; S408-F437 PolarHBondContact O-N 3.33Å; S408-L438 PolarHBondContact N-O 2.93Å; S408-L438 PolarHBondContact O-N 3.44Å |
| 409 | D | 93 | Very high | 90.4 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -91.6 | 5.6 | 169.3 | 67.7 | 4.1 | 0 | 0 | 0 | 112.8 | F437 G463 T464 | D409-F437 WeakPolarHBondContact O-CD2 3.45Å; D409-F437 WeakPolarHBondContact O-CE2 3.46Å; D409-G463 VanDerWaalsContact OD1-CA 3.31Å; D409-G463 WeakPolarHBondContact OD1-CA 3.45Å; D409-T464 VanDerWaalsContact CG-N 3.34Å; D409-T464 PolarHBondContact N-O 3.42Å; D409-T464 PolarHBondContact OD1-N 3.12Å; D409-T464 PolarHBondContact OD2-N 3.39Å |
| 410 | V | 92.6 | Very high | 89.8 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -131.2 | 150.4 | 173.5 | -73.8 | 0 | 0 | 0 | 0 | 112.2 | S408 I412 F437 Y462 I485 | S408-V410 VanDerWaalsContact C-N 3.31Å; S408-V410 WeakPolarHBondContact CB-O 3.2Å; S408-V410 WeakPolarHBondContact OG-CG2 3.37Å; S408-V410 PolarHBondContact OG-N 2.81Å; S408-V410 PolarHBondContact OG-O 2.9Å; V410-I412 HydrophobicContact CG2-CG2 4.24Å; V410-I412 PolarHBondContact O-N 2.86Å; V410-F437 VanDerWaalsContact C-CB 3.47Å; V410-F437 WeakPolarHBondContact O-CB 3.33Å; V410-Y462 VanDerWaalsContact CG1-O 3.23Å; V410-Y462 WeakPolarHBondContact CG1-O 3.29Å; V410-I485 HydrophobicContact CG2-CB 4.33Å; V410-I485 HydrophobicContact CG2-CD1 3.55Å; V410-I485 HydrophobicContact CG2-CG1 4.48Å |
| 411 | P | 91.2 | Very high | 89.4 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | trans | -59.1 | 122.4 | 172.2 | -21.3 | 33.2 | 0 | 0 | 0 | 111 | F437 I458 Q461 | P411-F437 HydrophobicContact CB-CD1 4.47Å; P411-F437 HydrophobicContact CG-CD1 3.57Å; P411-F437 HydrophobicContact CG-CE1 3.87Å; P411-F437 HydrophobicContact CG-CG 4.09Å; P411-I458 HydrophobicContact CB-CD1 4.42Å; P411-Q461 VanDerWaalsContact CB-OE1 3.28Å | ||
| 412 | I | 92.4 | Very high | 89 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | trans | -142.6 | 147.8 | 174 | 53.2 | 164.7 | 0 | 0 | 0 | 109.7 | V410 L414 L438 V455 R456 L465 I485 | V410-I412 HydrophobicContact CG2-CG2 4.24Å; V410-I412 PolarHBondContact O-N 2.86Å; I412-L414 HydrophobicContact CD1-CD2 4.35Å; I412-L438 HydrophobicContact CD1-CD2 3.51Å; I412-L438 HydrophobicContact CG1-CB 4.26Å; I412-L438 HydrophobicContact CG1-CD2 3.73Å; I412-V455 HydrophobicContact CB-CG1 3.99Å; I412-V455 HydrophobicContact CD1-CG1 3.7Å; I412-V455 HydrophobicContact CG1-CG1 4.45Å; I412-V455 HydrophobicContact CG2-CG1 4.08Å; I412-R456 WeakPolarHBondContact CA-O 3.41Å; I412-R456 WeakPolarHBondContact CB-O 3.48Å; I412-L465 HydrophobicContact CD1-CD1 3.76Å; I412-L465 HydrophobicContact CD1-CD2 4.39Å; I412-I485 HydrophobicContact CG2-CD1 3.49Å; I412-I485 VanDerWaalsContact CG2-CD1 3.49Å | ||
| 413 | D | 90.6 | Very high | 88.8 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.5 | 171.8 | -49.9 | -44.8 | 0 | 0 | 0 | 109.4 | R456 | D413-R456 HydrophobicContact CB-CB 4.09Å; D413-R456 PolarHBondContact N-O 3.08Å; D413-R456 VanDerWaalsContact N-O 3.08Å; D413-R456 PolarHBondContact O-N 3.14Å |
| 414 | L | 90.8 | Very high | 88.7 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 13% | 0.131 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.9 | 168.1 | -58.1 | -175.1 | 0 | 0 | 0 | 108.5 | L406 I412 F426 L438 A440 Y442 K454 V455 | L406-L414 HydrophobicContact CD1-CD1 3.82Å; L406-L414 HydrophobicContact CD1-CD2 4.02Å; I412-L414 HydrophobicContact CD1-CD2 4.35Å; L414-F426 HydrophobicContact CB-CZ 4.49Å; L414-F426 HydrophobicContact CD1-CE1 3.91Å; L414-F426 HydrophobicContact CD1-CZ 4.32Å; L414-F426 HydrophobicContact CG-CE1 4.43Å; L414-L438 HydrophobicContact CD1-CD1 4.47Å; L414-L438 HydrophobicContact CD1-CD2 3.96Å; L414-L438 HydrophobicContact CD2-CD2 3.99Å; L414-L438 HydrophobicContact CG-CD2 3.9Å; L414-A440 HydrophobicContact CD1-CB 3.64Å; L414-Y442 HydrophobicContact CD1-CE2 3.74Å; L414-Y442 VanDerWaalsContact CD1-OH 3.27Å; L414-Y442 WeakPolarHBondContact CD1-OH 3.49Å; L414-K454 WeakPolarHBondContact CA-O 3.41Å; L414-V455 HydrophobicContact CD2-CG2 3.97Å |
| 415 | L | 86.7 | Confident | 88.6 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142 | 177.2 | -49 | 175.5 | 0 | 0 | 0 | 110 | K454 | L415-K454 HydrophobicContact CB-CB 3.81Å; L415-K454 HydrophobicContact CD1-CB 4.22Å; L415-K454 HydrophobicContact CG-CB 4.3Å; L415-K454 PolarHBondContact N-O 3.49Å |
| 416 | D | 79.7 | Confident | 88.4 | Confident | 146 Ų | 146 | 58 Ų | 58 | 78% | 0.781 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -64 | 141 | 174.3 | -67.4 | -38 | 0 | 0 | 0 | 110.9 | ||
| 417 | V | 80.6 | Confident | 88.2 | Confident | 28 Ų | 28 | 61 Ų | 61 | 17% | 0.17 | 34% | 0.335 | C | S | . | . | trans | -122.2 | 116.2 | 176.9 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | K419 N420 K454 | V417-K419 HydrophobicContact CG1-CB 4.39Å; V417-K419 PolarHBondContact O-N 3.02Å; V417-K419 VanDerWaalsContact O-N 3.12Å; V417-N420 HydrophobicContact CB-CB 4.06Å; V417-N420 HydrophobicContact CG1-CB 4.42Å; V417-N420 VanDerWaalsContact O-CB 3.24Å; V417-N420 WeakPolarHBondContact O-CB 3.47Å; V417-N420 PolarHBondContact O-N 3.46Å; V417-K454 HydrophobicContact CG2-CB 4.24Å; V417-K454 HydrophobicContact CG2-CD 4.4Å; V417-K454 HydrophobicContact CG2-CG 3.96Å | ||
| 418 | D | 75.2 | Confident | 87.9 | Confident | 155 Ų | 155 | 69.1 Ų | 69.1 | 83% | 0.829 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -30.7 | -173 | -59.2 | -40.8 | 0 | 0 | 0 | 113.5 | N420 | D418-N420 PolarHBondContact O-N 2.88Š|
| 419 | K | 74.6 | Confident | 87.5 | Confident | 163 Ų | 163 | 71.3 Ų | 71.3 | 71% | 0.709 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -13.7 | 176.5 | -65.1 | -175.8 | 180 | 178.9 | 0 | 113.2 | V417 | V417-K419 HydrophobicContact CG1-CB 4.39Å; V417-K419 PolarHBondContact O-N 3.02Å; V417-K419 VanDerWaalsContact O-N 3.12Å |
| 420 | N | 80.5 | Confident | 86.8 | Confident | 35 Ų | 35 | 74 Ų | 74 | 19% | 0.187 | 40% | 0.403 | C | S | . | . | trans | -87.4 | 112.5 | -175.1 | -173.7 | -3.6 | 0 | 0 | 0 | 111.1 | V417 D418 A422 L451 E452 | V417-N420 HydrophobicContact CB-CB 4.06Å; V417-N420 HydrophobicContact CG1-CB 4.42Å; V417-N420 VanDerWaalsContact O-CB 3.24Å; V417-N420 WeakPolarHBondContact O-CB 3.47Å; V417-N420 PolarHBondContact O-N 3.46Å; D418-N420 PolarHBondContact O-N 2.88Å; N420-A422 VanDerWaalsContact C-N 3.34Å; N420-A422 WeakPolarHBondContact OD1-CB 3.44Å; N420-A422 PolarHBondContact OD1-N 3.33Å; N420-L451 WeakPolarHBondContact ND2-CD1 3.5Å; N420-L451 WeakPolarHBondContact OD1-CD1 3.39Å; N420-E452 PolarHBondContact ND2-O 3.27Å | ||
| 421 | S | 83.4 | Confident | 85.1 | Confident | 67 Ų | 67 | 79.8 Ų | 79.8 | 47% | 0.469 | 44% | 0.444 | S | S | . | . | trans | -86.4 | 2 | 176.9 | 69.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 422 | A | 87.9 | Confident | 84 | Confident | 13 Ų | 13 | 84.7 Ų | 84.7 | 11% | 0.107 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 144.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | N420 Y442 R443 L451 | N420-A422 VanDerWaalsContact C-N 3.34Å; N420-A422 WeakPolarHBondContact OD1-CB 3.44Å; N420-A422 PolarHBondContact OD1-N 3.33Å; A422-Y442 HydrophobicContact CB-CD1 4.08Å; A422-R443 WeakPolarHBondContact CA-O 3.04Å; A422-L451 HydrophobicContact CB-CD1 4.19Å |
| 423 | V | 89.8 | Confident | 82.4 | Confident | 79 Ų | 79 | 90.2 Ų | 90.2 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128 | 173.9 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | Y442 R443 Q445 | V423-Y442 WeakPolarHBondContact O-CA 3.4Å; V423-R443 PolarHBondContact N-O 3.33Å; V423-R443 PolarHBondContact O-N 3.5Å; V423-Q445 HydrophobicContact CG2-CG 4.39Å |
| 424 | V | 93.2 | Very high | 81 | Confident | 45 Ų | 45 | 94.1 Ų | 94.1 | 27% | 0.273 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 136.4 | -178.9 | -161.9 | 0 | 0 | 0 | 0 | 110.3 | F426 T441 Y442 | V424-F426 HydrophobicContact CG1-CD2 4.39Å; V424-F426 HydrophobicContact CG1-CE2 3.82Å; V424-F426 HydrophobicContact CG1-CZ 3.9Å; V424-T441 CarbonylContact C-O 3.59Å; V424-T441 WeakPolarHBondContact CA-O 3.41Å; V424-Y442 HydrophobicContact CB-CD1 4.46Å; V424-Y442 HydrophobicContact CB-CE1 4.17Å; V424-Y442 HydrophobicContact CG1-CD1 4.43Å; V424-Y442 HydrophobicContact CG1-CD2 4.27Å; V424-Y442 HydrophobicContact CG1-CE1 3.99Å; V424-Y442 HydrophobicContact CG1-CE2 3.77Å; V424-Y442 HydrophobicContact CG2-CD1 3.59Å; V424-Y442 HydrophobicContact CG2-CE1 3.17Å; V424-Y442 HydrophobicContact CG2-CE2 4.49Å; V424-Y442 HydrophobicContact CG2-CG 4.41Å |
| 425 | S | 93.5 | Very high | 80.1 | Confident | 61 Ų | 61 | 93.5 Ų | 93.5 | 43% | 0.427 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124.5 | 168.8 | 61.8 | 0 | 0 | 0 | 0 | 110.3 | A440 T441 | S425-A440 WeakPolarHBondContact O-CA 3.45Å; S425-T441 PolarHBondContact N-O 3.1Å; S425-T441 PolarHBondContact O-N 3.23Å; S425-T441 PolarHBondContact OG-O 3.48Å |
| 426 | F | 93.4 | Very high | 80.2 | Confident | 131 Ų | 131 | 94.3 Ų | 94.3 | 58% | 0.575 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 128.2 | 174.7 | -63.4 | -86.1 | 0 | 0 | 0 | 109.7 | L414 V424 L438 A440 | L414-F426 HydrophobicContact CB-CZ 4.49Å; L414-F426 HydrophobicContact CD1-CE1 3.91Å; L414-F426 HydrophobicContact CD1-CZ 4.32Å; L414-F426 HydrophobicContact CG-CE1 4.43Å; V424-F426 HydrophobicContact CG1-CD2 4.39Å; V424-F426 HydrophobicContact CG1-CE2 3.82Å; V424-F426 HydrophobicContact CG1-CZ 3.9Å; F426-L438 HydrophobicContact CD1-CD1 3.88Å; F426-L438 HydrophobicContact CE1-CD1 3.91Å; F426-A440 HydrophobicContact CD1-CB 3.98Å; F426-A440 HydrophobicContact CE1-CB 4.01Å |
| 427 | S | 92.4 | Very high | 80.7 | Confident | 61 Ų | 61 | 93.2 Ų | 93.2 | 43% | 0.427 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 144.3 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | C429 L439 | S427-C429 PolarHBondContact O-N 2.82Å; S427-L439 PolarHBondContact N-O 3.47Å |
| 428 | E | 88.6 | Confident | 81.3 | Confident | 193 Ų | 193 | 92.6 Ų | 92.6 | 90% | 0.902 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 135.2 | 173.5 | -68.2 | -177 | 174.9 | 0 | 0 | 110.1 | ||
| 429 | C | 86.8 | Confident | 82.2 | Confident | 46 Ų | 46 | 87 Ų | 87 | 31% | 0.311 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 135.9 | -179.7 | -73.3 | 0 | 0 | 0 | 0 | 110.2 | S427 S431 N436 L439 | S427-C429 PolarHBondContact O-N 2.82Å; C429-S431 PolarHBondContact O-N 2.9Å; C429-N436 WeakPolarHBondContact CB-O 3.26Å; C429-L439 PolarHBondContact SG-N 3.33Å |
| 430 | D | 78 | Confident | 83.2 | Confident | 123 Ų | 123 | 79.3 Ų | 79.3 | 66% | 0.658 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 130.8 | 178.2 | -69.3 | -28.2 | 0 | 0 | 0 | 111 | Q432 | D430-Q432 PolarHBondContact O-N 3.17Š|
| 431 | S | 58.2 | Low | 84 | Confident | 129 Ų | 129 | 79.3 Ų | 79.3 | 90% | 0.902 | 45% | 0.447 | S | S | * | . | trans | -75.9 | 30.9 | -179.3 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | C429 | C429-S431 PolarHBondContact O-N 2.9Š| ||
| 432 | Q | 68.3 | Low | 84.5 | Confident | 144 Ų | 144 | 76.4 Ų | 76.4 | 67% | 0.673 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -88.4 | 156.2 | -179.7 | -68.3 | -162.3 | 6.3 | 0 | 0 | 112.2 | D430 N434 G435 | D430-Q432 PolarHBondContact O-N 3.17Å; Q432-N434 PolarHBondContact O-N 3.39Å; Q432-G435 PolarHBondContact O-N 3Å |
| 433 | P | 58.6 | Low | 84.8 | Confident | 129 Ų | 129 | 83.7 Ų | 83.7 | 84% | 0.838 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.5 | -174.2 | -21.3 | 31.4 | 0 | 0 | 0 | 115.5 | ||
| 434 | N | 61.2 | Low | 84.8 | Confident | 164 Ų | 164 | 80 Ų | 80 | 88% | 0.877 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.6 | 28.4 | 176.6 | -63.4 | -16.9 | 0 | 0 | 0 | 110.8 | Q432 | Q432-N434 PolarHBondContact O-N 3.39Š|
| 435 | G | 72.4 | Confident | 84 | Confident | 13 Ų | 13 | 84.3 Ų | 84.3 | 13% | 0.134 | 45% | 0.445 | C | S | . | . | trans | -75.5 | 169.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q432 | Q432-G435 PolarHBondContact O-N 3Š| ||
| 436 | N | 87.8 | Confident | 83.3 | Confident | 56 Ų | 56 | 83.8 Ų | 83.8 | 30% | 0.299 | 45% | 0.445 | S | S | . | . | trans | -73.5 | 141 | 168 | -56.6 | -48.6 | 0 | 0 | 0 | 108.5 | Q407 S408 C429 L439 | Q407-N436 HydrophobicContact CG-CB 4.41Å; Q407-N436 VanDerWaalsContact CG-OD1 3.23Å; Q407-N436 WeakPolarHBondContact CG-OD1 3.26Å; Q407-N436 PolarHBondContact NE2-OD1 3.29Å; S408-N436 CarbonylContact O-C 3.5Å; S408-N436 WeakPolarHBondContact O-CA 3.48Å; C429-N436 WeakPolarHBondContact CB-O 3.26Å; N436-L439 HydrophobicContact CB-CD1 4.33Å; N436-L439 HydrophobicContact CB-CD2 4.11Å; N436-L439 HydrophobicContact CB-CG 3.87Å | ||
| 437 | F | 90.7 | Very high | 82.9 | Confident | 122 Ų | 122 | 83.8 Ų | 83.8 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -92 | -21.4 | 168.8 | -74.8 | -93.2 | 0 | 0 | 0 | 111.9 | S408 D409 V410 P411 | S408-F437 PolarHBondContact O-N 3.33Å; D409-F437 WeakPolarHBondContact O-CD2 3.45Å; D409-F437 WeakPolarHBondContact O-CE2 3.46Å; V410-F437 VanDerWaalsContact C-CB 3.47Å; V410-F437 WeakPolarHBondContact O-CB 3.33Å; P411-F437 HydrophobicContact CB-CD1 4.47Å; P411-F437 HydrophobicContact CG-CD1 3.57Å; P411-F437 HydrophobicContact CG-CE1 3.87Å; P411-F437 HydrophobicContact CG-CG 4.09Å |
| 438 | L | 92.7 | Very high | 82.7 | Confident | 16 Ų | 16 | 82.2 Ų | 82.2 | 8% | 0.084 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134 | 174.7 | 179.2 | 75.1 | 0 | 0 | 0 | 110 | Q407 S408 I412 L414 F426 A440 | Q407-L438 WeakPolarHBondContact CA-O 3.47Å; S408-L438 PolarHBondContact N-O 2.93Å; S408-L438 PolarHBondContact O-N 3.44Å; I412-L438 HydrophobicContact CD1-CD2 3.51Å; I412-L438 HydrophobicContact CG1-CB 4.26Å; I412-L438 HydrophobicContact CG1-CD2 3.73Å; L414-L438 HydrophobicContact CD1-CD1 4.47Å; L414-L438 HydrophobicContact CD1-CD2 3.96Å; L414-L438 HydrophobicContact CD2-CD2 3.99Å; L414-L438 HydrophobicContact CG-CD2 3.9Å; F426-L438 HydrophobicContact CD1-CD1 3.88Å; F426-L438 HydrophobicContact CE1-CD1 3.91Å; L438-A440 HydrophobicContact CD1-CB 4.31Å; L438-A440 HydrophobicContact CG-CB 4.42Å |
| 439 | L | 94.9 | Very high | 82.8 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 20% | 0.199 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 109.2 | 162 | -70.9 | 176.3 | 0 | 0 | 0 | 108.4 | L406 Q407 S427 C429 N436 | L406-L439 WeakPolarHBondContact O-CA 3.23Å; Q407-L439 HydrophobicContact CB-CD2 3.83Å; Q407-L439 HydrophobicContact CG-CD2 3.74Å; S427-L439 PolarHBondContact N-O 3.47Å; C429-L439 PolarHBondContact SG-N 3.33Å; N436-L439 HydrophobicContact CB-CD1 4.33Å; N436-L439 HydrophobicContact CB-CD2 4.11Å; N436-L439 HydrophobicContact CB-CG 3.87Å |
| 440 | A | 95.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L405 L406 L414 S425 F426 L438 Y442 | L405-A440 CarbonylContact C-O 3.59Å; L405-A440 WeakPolarHBondContact CA-O 3.41Å; L406-A440 HydrophobicContact CB-CB 4.39Å; L406-A440 PolarHBondContact N-O 2.91Å; L406-A440 PolarHBondContact O-N 3.1Å; L414-A440 HydrophobicContact CD1-CB 3.64Å; S425-A440 WeakPolarHBondContact O-CA 3.45Å; F426-A440 HydrophobicContact CD1-CB 3.98Å; F426-A440 HydrophobicContact CE1-CB 4.01Å; L438-A440 HydrophobicContact CD1-CB 4.31Å; L438-A440 HydrophobicContact CG-CB 4.42Å; A440-Y442 HydrophobicContact CB-CE2 4.19Å |
| 441 | T | 96.1 | Very high | 83.8 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.2 | 173.7 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | N403 L404 V424 S425 | N403-T441 HydrophobicContact CB-CG2 4.49Å; L404-T441 CarbonylContact O-C 3.42Å; L404-T441 WeakPolarHBondContact O-CA 3.39Å; V424-T441 CarbonylContact C-O 3.59Å; V424-T441 WeakPolarHBondContact CA-O 3.41Å; S425-T441 PolarHBondContact N-O 3.1Å; S425-T441 PolarHBondContact O-N 3.23Å; S425-T441 PolarHBondContact OG-O 3.48Å |
| 442 | Y | 95.1 | Very high | 85.4 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 3% | 0.027 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 117.8 | 173 | -73.7 | -102.7 | 0 | 0 | 0 | 108.7 | N403 L404 L406 L414 A422 V423 V424 A440 L453 | N403-Y442 CarbonylContact C-O 3.54Å; N403-Y442 VanDerWaalsContact CA-O 3.22Å; N403-Y442 WeakPolarHBondContact CA-O 3.36Å; L404-Y442 PolarHBondContact N-O 3.03Å; L404-Y442 PolarHBondContact O-N 3.42Å; L406-Y442 HydrophobicContact CD1-CD2 4.17Å; L406-Y442 HydrophobicContact CD1-CE2 3.69Å; L406-Y442 HydrophobicContact CG-CE2 4.49Å; L414-Y442 HydrophobicContact CD1-CE2 3.74Å; L414-Y442 VanDerWaalsContact CD1-OH 3.27Å; L414-Y442 WeakPolarHBondContact CD1-OH 3.49Å; A422-Y442 HydrophobicContact CB-CD1 4.08Å; V423-Y442 WeakPolarHBondContact O-CA 3.4Å; V424-Y442 HydrophobicContact CB-CD1 4.46Å; V424-Y442 HydrophobicContact CB-CE1 4.17Å; V424-Y442 HydrophobicContact CG1-CD1 4.43Å; V424-Y442 HydrophobicContact CG1-CD2 4.27Å; V424-Y442 HydrophobicContact CG1-CE1 3.99Å; V424-Y442 HydrophobicContact CG1-CE2 3.77Å; V424-Y442 HydrophobicContact CG2-CD1 3.59Å; V424-Y442 HydrophobicContact CG2-CE1 3.17Å; V424-Y442 HydrophobicContact CG2-CE2 4.49Å; V424-Y442 HydrophobicContact CG2-CG 4.41Å; A440-Y442 HydrophobicContact CB-CE2 4.19Å; Y442-L453 HydrophobicContact CD1-CD2 3.71Å; Y442-L453 HydrophobicContact CD2-CD2 4.31Å; Y442-L453 HydrophobicContact CE1-CD2 3.25Å; Y442-L453 HydrophobicContact CE2-CD2 3.96Å; Y442-L453 HydrophobicContact CG-CD2 4.22Å; Y442-L453 VanDerWaalsContact CZ-CD2 3.42Å |
| 443 | R | 94.1 | Very high | 86.5 | Confident | 165 Ų | 165 | 57 Ų | 57 | 62% | 0.623 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.2 | 175.7 | -171.1 | 176.6 | -180 | -176.6 | -1.5 | 110 | A422 V423 Q445 | A422-R443 WeakPolarHBondContact CA-O 3.04Å; V423-R443 PolarHBondContact N-O 3.33Å; V423-R443 PolarHBondContact O-N 3.5Å; R443-Q445 PolarHBondContact O-N 3.12Å |
| 444 | C | 89.1 | Confident | 88.2 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | trans | -83.5 | 112.7 | 180 | -65.9 | 0 | 0 | 0 | 0 | 109.5 | I401 D402 R472 | I401-C444 HydrophobicContact CB-CB 4.46Å; I401-C444 VanDerWaalsContact O-CB 3.3Å; I401-C444 WeakPolarHBondContact O-CB 3.32Å; D402-C444 PolarHBondContact O-N 2.86Å; D402-C444 VanDerWaalsContact O-N 3.16Å; C444-R472 PolarHBondContact O-NH2 3.12Å | ||
| 445 | Q | 77.8 | Confident | 89.8 | Confident | 136 Ų | 136 | 45.3 Ų | 45.3 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | trans | -80.1 | -44.7 | -179.9 | -63.7 | -170.9 | -10.5 | 0 | 0 | 111.5 | V423 R443 R472 | V423-Q445 HydrophobicContact CG2-CG 4.39Å; R443-Q445 PolarHBondContact O-N 3.12Å; Q445-R472 PolarHBondContact O-NH2 2.83Å | ||
| 446 | A | 78.1 | Confident | 90.8 | Very high | 51 Ų | 51 | 45.3 Ų | 45.3 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -76.6 | 165.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T448 | A446-T448 PolarHBondContact O-N 3.26Å; A446-T448 PolarHBondContact O-OG1 3.07Å |
| 447 | N | 84.9 | Confident | 91 | Very high | 131 Ų | 131 | 42.7 Ų | 42.7 | 70% | 0.701 | 21% | 0.208 | S | C | * | . | trans | -70.8 | 72 | 171.1 | -73.9 | -20.3 | 0 | 0 | 0 | 110.1 | A400 R472 | A400-N447 HydrophobicContact CB-CB 4.26Å; N447-R472 PolarHBondContact OD1-NH1 3.39Å; N447-R472 VanDerWaalsContact OD1-NH1 3.07Å | ||
| 448 | T | 88.7 | Confident | 91.1 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 17% | 0.166 | 20% | 0.199 | C | C | . | . | trans | -98.2 | 116.5 | -172.7 | -50.9 | 0 | 0 | 0 | 0 | 108.8 | A400 I401 A446 R450 | A400-T448 CarbonylContact C-O 3.57Å; A400-T448 WeakPolarHBondContact CA-O 3.16Å; I401-T448 PolarHBondContact N-O 2.78Å; A446-T448 PolarHBondContact O-N 3.26Å; A446-T448 PolarHBondContact O-OG1 3.07Å; T448-R450 WeakPolarHBondContact CG2-O 3.18Å | ||
| 449 | T | 91.2 | Very high | 91 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -92.6 | -26.9 | 177.6 | 45 | 0 | 0 | 0 | 0 | 112.3 | T308 E396 V397 | T308-T449 HydrophobicContact CG2-CG2 4.49Å; E396-T449 CarbonylContact C-O 3.59Å; E396-T449 WeakPolarHBondContact CA-O 3.34Å; V397-T449 PolarHBondContact N-O 2.86Å; V397-T449 WeakPolarHBondContact O-CB 3.37Å |
| 450 | R | 91.9 | Very high | 90.8 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 14% | 0.143 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131 | 178.2 | -177 | -176.5 | -176.7 | -76.3 | 1.7 | 111.3 | D259 T394 L395 E396 T448 E452 | D259-R450 PolarHBondContact O-NE 2.84Å; D259-R450 VanDerWaalsContact O-NE 3.11Å; T394-R450 HydrophobicContact CG2-CG 3.99Å; T394-R450 VanDerWaalsContact CG2-CZ 3.42Å; T394-R450 PolarHBondContact OG1-NH2 2.78Å; L395-R450 CarbonylContact O-C 3.59Å; L395-R450 WeakPolarHBondContact O-CA 3.48Å; E396-R450 HydrophobicContact CB-CB 4.27Å; E396-R450 HydrophobicContact CB-CG 4.25Å; E396-R450 HydrophobicContact CG-CB 4.07Å; E396-R450 HydrophobicContact CG-CG 4.45Å; T448-R450 WeakPolarHBondContact CG2-O 3.18Å; R450-E452 IonicContact CZ-OE2 3.97Å; R450-E452 IonicContact NH1-OE2 2.71Å; R450-E452 PolarHBondContact NH1-OE2 3.44Å; R450-E452 IonicContact NH2-OE2 3Å; R450-E452 PolarHBondContact NH2-OE2 3.34Å |
| 451 | L | 92.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.4 | 174.9 | -172.8 | 62.3 | 0 | 0 | 0 | 109.8 | T394 L395 I401 L404 N420 A422 L453 | T394-L451 WeakPolarHBondContact CA-O 3.48Å; L395-L451 PolarHBondContact N-O 2.89Å; L395-L451 PolarHBondContact O-N 3.38Å; I401-L451 HydrophobicContact CD1-CB 4.08Å; L404-L451 HydrophobicContact CB-CD2 4.08Å; L404-L451 HydrophobicContact CD2-CD2 3.51Å; L404-L451 HydrophobicContact CG-CD2 4.45Å; N420-L451 WeakPolarHBondContact ND2-CD1 3.5Å; N420-L451 WeakPolarHBondContact OD1-CD1 3.39Å; A422-L451 HydrophobicContact CB-CD1 4.19Å; L451-L453 HydrophobicContact CG-CD2 4.36Å; L451-L453 HydrophobicContact CG-CG 4.38Å |
| 452 | E | 92.1 | Very high | 90.6 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 21% | 0.21 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.8 | 177 | -176.2 | 171.5 | 170.6 | 0 | 0 | 110.3 | S392 L393 N420 R450 | S392-E452 PolarHBondContact OG-OE1 3.32Å; L393-E452 WeakPolarHBondContact O-CA 3.29Å; N420-E452 PolarHBondContact ND2-O 3.27Å; R450-E452 IonicContact CZ-OE2 3.97Å; R450-E452 IonicContact NH1-OE2 2.71Å; R450-E452 PolarHBondContact NH1-OE2 3.44Å; R450-E452 IonicContact NH2-OE2 3Å; R450-E452 PolarHBondContact NH2-OE2 3.34Å |
| 453 | L | 92.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 138.8 | -175.3 | -59 | 170.7 | 0 | 0 | 0 | 109.3 | L393 L404 L406 Y442 L451 | L393-L453 HydrophobicContact CB-CB 4.32Å; L393-L453 HydrophobicContact CD2-CD1 4.28Å; L393-L453 PolarHBondContact N-O 2.79Å; L393-L453 PolarHBondContact O-N 3.15Å; L404-L453 HydrophobicContact CD2-CD1 3.44Å; L404-L453 VanDerWaalsContact CD2-CD1 3.44Å; L406-L453 HydrophobicContact CD1-CD1 3.67Å; L406-L453 HydrophobicContact CD2-CD1 4.2Å; L406-L453 HydrophobicContact CG-CD1 4.35Å; Y442-L453 HydrophobicContact CD1-CD2 3.71Å; Y442-L453 HydrophobicContact CD2-CD2 4.31Å; Y442-L453 HydrophobicContact CE1-CD2 3.25Å; Y442-L453 HydrophobicContact CE2-CD2 3.96Å; Y442-L453 HydrophobicContact CG-CD2 4.22Å; Y442-L453 VanDerWaalsContact CZ-CD2 3.42Å; L451-L453 HydrophobicContact CG-CD2 4.36Å; L451-L453 HydrophobicContact CG-CG 4.38Å |
| 454 | K | 92.9 | Very high | 90.6 | Very high | 48 Ų | 48 | 38 Ų | 38 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.4 | 172.4 | -77.6 | -170.9 | 178.4 | -170 | 0 | 110.5 | D388 Y391 L414 L415 V417 | D388-K454 IonicContact OD2-NZ 2.93Å; D388-K454 PolarHBondContact OD2-NZ 3.19Å; Y391-K454 CarbonylContact O-C 3.59Å; Y391-K454 WeakPolarHBondContact O-CA 3.4Å; L414-K454 WeakPolarHBondContact CA-O 3.41Å; L415-K454 HydrophobicContact CB-CB 3.81Å; L415-K454 HydrophobicContact CD1-CB 4.22Å; L415-K454 HydrophobicContact CG-CB 4.3Å; L415-K454 PolarHBondContact N-O 3.49Å; V417-K454 HydrophobicContact CG2-CB 4.24Å; V417-K454 HydrophobicContact CG2-CD 4.4Å; V417-K454 HydrophobicContact CG2-CG 3.96Å |
| 455 | V | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.5 | -177.4 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | F382 Y391 I412 L414 L465 | F382-V455 HydrophobicContact CE2-CB 4.41Å; F382-V455 HydrophobicContact CE2-CG2 4.45Å; Y391-V455 PolarHBondContact N-O 2.76Å; Y391-V455 PolarHBondContact O-N 3.41Å; I412-V455 HydrophobicContact CB-CG1 3.99Å; I412-V455 HydrophobicContact CD1-CG1 3.7Å; I412-V455 HydrophobicContact CG1-CG1 4.45Å; I412-V455 HydrophobicContact CG2-CG1 4.08Å; L414-V455 HydrophobicContact CD2-CG2 3.97Å; V455-L465 HydrophobicContact CG1-CD2 4.31Å; V455-L465 HydrophobicContact CG2-CD2 4.02Å |
| 456 | R | 93.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.9 | 172.8 | -172.2 | 177.7 | -69.9 | 162.5 | -0.9 | 109.2 | I412 D413 A662 | I412-R456 WeakPolarHBondContact CA-O 3.41Å; I412-R456 WeakPolarHBondContact CB-O 3.48Å; D413-R456 HydrophobicContact CB-CB 4.09Å; D413-R456 PolarHBondContact N-O 3.08Å; D413-R456 VanDerWaalsContact N-O 3.08Å; D413-R456 PolarHBondContact O-N 3.14Å; R456-A662 VanDerWaalsContact NH1-CB 3.25Å |
| 457 | S | 93.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | trans | -107.9 | 162.2 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 111 | S489 | S457-S489 WeakPolarHBondContact OG-CB 3.34Å; S457-S489 PolarHBondContact OG-OG 3.41Å | ||
| 458 | I | 91.6 | Very high | 93.5 | Very high | 67 Ų | 67 | 28.2 Ų | 28.2 | 34% | 0.344 | 14% | 0.141 | S | C | . | . | trans | -114.1 | 125.8 | 177.1 | -55.5 | 174 | 0 | 0 | 0 | 107.5 | P411 Q461 | P411-I458 HydrophobicContact CB-CD1 4.42Å; I458-Q461 HydrophobicContact CB-CG 4.43Å; I458-Q461 HydrophobicContact CG2-CG 4.41Å; I458-Q461 PolarHBondContact O-N 3.09Å | ||
| 459 | E | 90 | Very high | 93.9 | Very high | 27 Ų | 27 | 26.9 Ų | 26.9 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 145.2 | 178.6 | -72.6 | -166.3 | 131.9 | 0 | 0 | 111.9 | Q461 L490 H491 N544 I572 | E459-Q461 PolarHBondContact O-N 3.47Å; E459-L490 HydrophobicContact CG-CB 4.02Å; E459-L490 HydrophobicContact CG-CD1 3.68Å; E459-L490 HydrophobicContact CG-CG 3.67Å; E459-L490 WeakPolarHBondContact OE1-CB 3.35Å; E459-L490 PolarHBondContact OE1-N 3.45Å; E459-H491 IonicContact OE1-CE1 3.69Å; E459-H491 PolarHBondContact OE1-CE1 2.93Å; E459-H491 IonicContact OE1-CG 3.44Å; E459-H491 IonicContact OE1-ND1 3.94Å; E459-H491 PolarHBondContact OE1-ND1 3.41Å; E459-H491 IonicContact OE2-CE1 3.65Å; E459-N544 PolarHBondContact OE1-ND2 2.99Å; E459-N544 PolarHBondContact OE2-ND2 2.83Å; E459-I572 HydrophobicContact CB-CD1 4.12Å |
| 460 | G | 91 | Very high | 94.1 | Very high | 28 Ų | 28 | 26.8 Ų | 26.8 | 29% | 0.289 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -17.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y462 P487 | G460-Y462 WeakPolarHBondContact O-CD1 3.36Å; G460-P487 PolarHBondContact N-O 3.08Å |
| 461 | Q | 92.5 | Very high | 94.2 | Very high | 73 Ų | 73 | 25 Ų | 25 | 34% | 0.341 | 13% | 0.126 | S | C | . | . | trans | -102.5 | 112.9 | 174.2 | -56.7 | -177.1 | 12.9 | 0 | 0 | 110 | P411 I458 E459 | P411-Q461 VanDerWaalsContact CB-OE1 3.28Å; I458-Q461 HydrophobicContact CB-CG 4.43Å; I458-Q461 HydrophobicContact CG2-CG 4.41Å; I458-Q461 PolarHBondContact O-N 3.09Å; E459-Q461 PolarHBondContact O-N 3.47Å | ||
| 462 | Y | 95.3 | Very high | 94.2 | Very high | 57 Ų | 57 | 29.9 Ų | 29.9 | 22% | 0.224 | 14% | 0.144 | C | C | . | . | trans | -133.9 | 147.2 | -170.4 | 61.6 | -89.7 | 0 | 0 | 0 | 112.1 | V410 G460 I485 P487 F523 V576 | V410-Y462 VanDerWaalsContact CG1-O 3.23Å; V410-Y462 WeakPolarHBondContact CG1-O 3.29Å; G460-Y462 WeakPolarHBondContact O-CD1 3.36Å; Y462-I485 VanDerWaalsContact CA-O 3.3Å; Y462-I485 WeakPolarHBondContact CA-O 3.48Å; Y462-I485 VanDerWaalsContact CB-O 3.24Å; Y462-I485 WeakPolarHBondContact CB-O 3.46Å; Y462-P487 HydrophobicContact CD1-CB 3.99Å; Y462-P487 HydrophobicContact CD1-CG 3.75Å; Y462-P487 HydrophobicContact CD2-CG 4.24Å; Y462-P487 HydrophobicContact CE1-CG 4.38Å; Y462-P487 HydrophobicContact CG-CB 4.3Å; Y462-P487 HydrophobicContact CG-CG 3.67Å; Y462-F523 AromaticContact CD2-CE1 3.9Å; Y462-F523 HydrophobicContact CD2-CE1 3.9Å; Y462-F523 AromaticContact CD2-CZ 3.59Å; Y462-F523 HydrophobicContact CD2-CZ 3.59Å; Y462-F523 AromaticContact CE2-CE1 3.77Å; Y462-F523 HydrophobicContact CE2-CE1 3.77Å; Y462-F523 AromaticContact CE2-CZ 3.6Å; Y462-F523 HydrophobicContact CE2-CZ 3.6Å; Y462-V576 HydrophobicContact CD1-CG2 4.3Å; Y462-V576 HydrophobicContact CE1-CG2 3.68Å | ||
| 463 | G | 94.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 30 Ų | 30 | 11% | 0.113 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | -153.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D409 I485 | D409-G463 VanDerWaalsContact OD1-CA 3.31Å; D409-G463 WeakPolarHBondContact OD1-CA 3.45Å; G463-I485 PolarHBondContact N-O 2.88Å; G463-I485 VanDerWaalsContact N-O 3.09Å; G463-I485 PolarHBondContact O-N 2.88Å |
| 464 | T | 95.2 | Very high | 93.8 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 14% | 0.135 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.2 | -174.1 | -50.4 | 0 | 0 | 0 | 0 | 112 | D409 Q466 Q482 Y483 Q484 | D409-T464 VanDerWaalsContact CG-N 3.34Å; D409-T464 PolarHBondContact N-O 3.42Å; D409-T464 PolarHBondContact OD1-N 3.12Å; D409-T464 PolarHBondContact OD2-N 3.39Å; T464-Q466 HydrophobicContact CG2-CG 3.96Å; T464-Q482 HydrophobicContact CG2-CB 3.99Å; T464-Q482 HydrophobicContact CG2-CG 4.37Å; T464-Y483 CarbonylContact C-O 3.53Å; T464-Y483 WeakPolarHBondContact CA-O 3.24Å; T464-Q484 PolarHBondContact OG1-NE2 2.77Å |
| 465 | L | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.3 | 164 | 173.3 | 62.2 | 0 | 0 | 0 | 109.1 | F382 L393 L406 I412 V455 Y483 I485 | F382-L465 HydrophobicContact CE2-CD2 4.22Å; F382-L465 HydrophobicContact CZ-CD2 4.46Å; L393-L465 HydrophobicContact CD2-CD2 4.28Å; L406-L465 HydrophobicContact CB-CD1 4.44Å; I412-L465 HydrophobicContact CD1-CD1 3.76Å; I412-L465 HydrophobicContact CD1-CD2 4.39Å; V455-L465 HydrophobicContact CG1-CD2 4.31Å; V455-L465 HydrophobicContact CG2-CD2 4.02Å; L465-Y483 HydrophobicContact CG-CD2 4.43Å; L465-Y483 PolarHBondContact N-O 2.74Å; L465-Y483 PolarHBondContact O-N 2.86Å; L465-I485 HydrophobicContact CB-CD1 4.22Å |
| 466 | Q | 97.3 | Very high | 93.4 | Very high | 36 Ų | 36 | 43.3 Ų | 43.3 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.1 | 177.5 | -53.4 | -167.7 | 2.2 | 0 | 0 | 111 | L406 Q407 T464 Y468 V480 R481 Q482 | L406-Q466 VanDerWaalsContact CA-O 3.32Å; L406-Q466 WeakPolarHBondContact CA-O 3.47Å; Q407-Q466 HydrophobicContact CB-CB 4.46Å; Q407-Q466 PolarHBondContact N-O 2.68Å; Q407-Q466 PolarHBondContact O-N 2.88Å; Q407-Q466 VanDerWaalsContact OE1-CD 3.24Å; Q407-Q466 VanDerWaalsContact OE1-CG 3.23Å; T464-Q466 HydrophobicContact CG2-CG 3.96Å; Q466-Y468 HydrophobicContact CB-CE2 3.89Å; Q466-Y468 PolarHBondContact OE1-OH 3.37Å; Q466-V480 HydrophobicContact CB-CG2 4.23Å; Q466-R481 CarbonylContact C-O 3.4Å; Q466-R481 WeakPolarHBondContact CA-O 3.46Å; Q466-Q482 HydrophobicContact CG-CG 4.13Å |
| 467 | A | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | L395 L404 L405 L406 V480 R481 Y483 | L395-A467 HydrophobicContact CD1-CB 4.17Å; L404-A467 HydrophobicContact CD1-CB 3.91Å; L405-A467 CarbonylContact O-C 3.56Å; L405-A467 WeakPolarHBondContact O-CA 3.38Å; L406-A467 HydrophobicContact CD2-CB 3.91Å; A467-V480 CarbonylContact O-C 3.59Å; A467-V480 WeakPolarHBondContact O-CA 3.45Å; A467-R481 HydrophobicContact CB-CB 4.4Å; A467-R481 PolarHBondContact N-O 3.35Å; A467-R481 PolarHBondContact O-N 2.82Å; A467-Y483 HydrophobicContact CB-CE2 3.83Å |
| 468 | Y | 97.7 | Very high | 93.5 | Very high | 76 Ų | 76 | 46.2 Ų | 46.2 | 30% | 0.298 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 104.8 | 179.4 | -65.6 | -93.2 | 0 | 0 | 0 | 109.3 | L404 L405 Q407 Q466 V480 | L404-Y468 WeakPolarHBondContact CA-O 3.28Å; L405-Y468 HydrophobicContact CB-CD2 4.45Å; L405-Y468 HydrophobicContact CD2-CD2 3.51Å; L405-Y468 HydrophobicContact CD2-CE2 3.93Å; L405-Y468 HydrophobicContact CD2-CG 4.36Å; L405-Y468 PolarHBondContact N-O 3.48Å; L405-Y468 PolarHBondContact O-N 3.41Å; Q407-Y468 HydrophobicContact CB-CE2 4.17Å; Q466-Y468 HydrophobicContact CB-CE2 3.89Å; Q466-Y468 PolarHBondContact OE1-OH 3.37Å; Y468-V480 HydrophobicContact CD1-CB 3.87Å; Y468-V480 HydrophobicContact CD1-CG2 3.92Å; Y468-V480 HydrophobicContact CD2-CG2 4.49Å; Y468-V480 HydrophobicContact CE1-CB 3.89Å; Y468-V480 HydrophobicContact CE1-CG2 3.69Å; Y468-V480 HydrophobicContact CE2-CG2 4.31Å; Y468-V480 HydrophobicContact CG-CG2 4.33Å |
| 469 | V | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118.7 | -172.9 | -167.7 | 0 | 0 | 0 | 0 | 110 | I378 L395 V397 L404 C478 Q479 | I378-V469 HydrophobicContact CD1-CB 3.84Å; I378-V469 HydrophobicContact CD1-CG1 4.4Å; I378-V469 HydrophobicContact CD1-CG2 3.84Å; L395-V469 HydrophobicContact CD1-CG2 4.19Å; L395-V469 HydrophobicContact CD2-CG2 4.37Å; V397-V469 HydrophobicContact CG2-CG1 3.73Å; L404-V469 HydrophobicContact CD1-CG2 4Å; V469-C478 WeakPolarHBondContact O-CA 3.26Å; V469-Q479 PolarHBondContact N-O 2.85Å; V469-Q479 PolarHBondContact O-N 2.89Å; V469-Q479 VanDerWaalsContact O-N 3.14Å |
| 470 | T | 96.3 | Very high | 94 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 108.1 | 176.6 | -58.4 | 0 | 0 | 0 | 0 | 110 | D402 N403 | D402-T470 HydrophobicContact CB-CG2 4.35Å; D402-T470 WeakPolarHBondContact CB-O 3.16Å; D402-T470 PolarHBondContact N-O 3.01Å; N403-T470 PolarHBondContact N-O 2.92Å; N403-T470 PolarHBondContact O-N 2.79Å |
| 471 | P | 94.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 164.1 | 173.5 | 31.4 | -34.6 | 0 | 0 | 0 | 112.6 | F376 V397 T399 L473 T477 | F376-P471 HydrophobicContact CD1-CG 4.01Å; F376-P471 HydrophobicContact CD2-CG 4.32Å; F376-P471 HydrophobicContact CE1-CG 3.75Å; F376-P471 HydrophobicContact CE2-CG 4.02Å; F376-P471 HydrophobicContact CG-CG 4.3Å; F376-P471 VanDerWaalsContact CZ-CD 3.47Å; F376-P471 HydrophobicContact CZ-CG 3.74Å; V397-P471 HydrophobicContact CG1-CB 4.14Å; T399-P471 WeakPolarHBondContact OG1-CB 3.4Å; P471-L473 HydrophobicContact CB-CD1 4.2Å; P471-L473 HydrophobicContact CB-CG 4.06Å; P471-L473 HydrophobicContact CG-CB 4.3Å; P471-L473 HydrophobicContact CG-CD1 3.68Å; P471-L473 HydrophobicContact CG-CG 3.93Å; P471-L473 PolarHBondContact O-N 2.72Å; P471-T477 HydrophobicContact CG-CG2 4.42Å |
| 472 | R | 92.2 | Very high | 94.5 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -76.7 | 53.5 | 171.9 | -65.3 | -176.5 | -177 | -177 | -0.5 | 111.7 | A400 D402 C444 Q445 N447 | A400-R472 WeakPolarHBondContact O-CB 3.39Å; A400-R472 WeakPolarHBondContact O-CG 3.03Å; A400-R472 PolarHBondContact O-N 2.66Å; D402-R472 HydrophobicContact CB-CG 3.81Å; C444-R472 PolarHBondContact O-NH2 3.12Å; Q445-R472 PolarHBondContact O-NH2 2.83Å; N447-R472 PolarHBondContact OD1-NH1 3.39Å; N447-R472 VanDerWaalsContact OD1-NH1 3.07Å |
| 473 | L | 89.2 | Confident | 94.6 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 25% | 0.246 | 24% | 0.241 | C | C | . | . | trans | -102.1 | 158.4 | 175.8 | -69.4 | 176 | 0 | 0 | 0 | 111.7 | F376 T399 P471 P475 | F376-L473 HydrophobicContact CB-CD1 4.31Å; F376-L473 HydrophobicContact CD1-CD1 4.27Å; F376-L473 HydrophobicContact CG-CD1 4.44Å; T399-L473 HydrophobicContact CG2-CD2 3.74Å; T399-L473 HydrophobicContact CG2-CG 4.45Å; P471-L473 HydrophobicContact CB-CD1 4.2Å; P471-L473 HydrophobicContact CB-CG 4.06Å; P471-L473 HydrophobicContact CG-CB 4.3Å; P471-L473 HydrophobicContact CG-CD1 3.68Å; P471-L473 HydrophobicContact CG-CG 3.93Å; P471-L473 PolarHBondContact O-N 2.72Å; L473-P475 CarbonylContact O-C 3.51Å | ||
| 474 | Q | 86.4 | Confident | 94.6 | Very high | 132 Ų | 132 | 53.1 Ų | 53.1 | 62% | 0.617 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -126.7 | 124.5 | 170 | -64.6 | -161.7 | 15.3 | 0 | 0 | 110.2 | R357 | R357-Q474 VanDerWaalsContact CZ-CD 3.44Å; R357-Q474 VanDerWaalsContact NH2-OE1 3.07Å |
| 475 | P | 88.2 | Confident | 94.7 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 34% | 0.338 | 25% | 0.249 | S | C | . | . | S | Bend | cis | -66.3 | 153.4 | -1 | 29.8 | -35.4 | 0 | 0 | 0 | 112.4 | P374 L473 T477 | P374-P475 HydrophobicContact CG-CG 3.99Å; P374-P475 WeakPolarHBondContact CG-O 3.4Å; L473-P475 CarbonylContact O-C 3.51Å; P475-T477 PolarHBondContact O-N 2.86Å |
| 476 | K | 90.9 | Very high | 94.7 | Very high | 146 Ų | 146 | 54.5 Ų | 54.5 | 64% | 0.635 | 26% | 0.259 | S | S | * | . | trans | -66 | 134.8 | 176.7 | -73.9 | -161.2 | 177.2 | -161.5 | 0 | 109.3 | D402 | D402-K476 IonicContact OD2-NZ 2.66Å; D402-K476 PolarHBondContact OD2-NZ 3.03Å | ||
| 477 | T | 93.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | trans | -136.9 | 155 | 179 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | V373 P374 F376 P471 P475 | V373-T477 WeakPolarHBondContact CG1-OG1 3.49Å; P374-T477 HydrophobicContact CG-CG2 3.77Å; F376-T477 HydrophobicContact CD1-CG2 3.79Å; F376-T477 HydrophobicContact CE1-CG2 3.48Å; F376-T477 VanDerWaalsContact CE1-CG2 3.48Å; P471-T477 HydrophobicContact CG-CG2 4.42Å; P475-T477 PolarHBondContact O-N 2.86Å | ||
| 478 | C | 95 | Very high | 94.7 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 42% | 0.419 | 25% | 0.251 | S | S | . | . | trans | -130.7 | 132.9 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 108.1 | V469 | V469-C478 WeakPolarHBondContact O-CA 3.26Š| ||
| 479 | Q | 95.8 | Very high | 94.7 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.3 | 170.1 | -73.3 | -175.1 | 24.9 | 0 | 0 | 109.5 | F376 I378 V469 | F376-Q479 HydrophobicContact CD1-CG 4.43Å; F376-Q479 HydrophobicContact CE1-CB 4.32Å; F376-Q479 HydrophobicContact CE1-CG 3.65Å; F376-Q479 HydrophobicContact CE2-CB 4.48Å; F376-Q479 HydrophobicContact CE2-CG 4.42Å; F376-Q479 HydrophobicContact CZ-CB 3.83Å; F376-Q479 HydrophobicContact CZ-CG 3.66Å; F376-Q479 PolarHBondContact O-NE2 2.9Å; F376-Q479 PolarHBondContact O-OE1 3.49Å; I378-Q479 HydrophobicContact CD1-CB 3.74Å; V469-Q479 PolarHBondContact N-O 2.85Å; V469-Q479 PolarHBondContact O-N 2.89Å; V469-Q479 VanDerWaalsContact O-N 3.14Å |
| 480 | V | 96.7 | Very high | 94.6 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 42% | 0.418 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.6 | 175.9 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | Q466 A467 Y468 Q482 | Q466-V480 HydrophobicContact CB-CG2 4.23Å; A467-V480 CarbonylContact O-C 3.59Å; A467-V480 WeakPolarHBondContact O-CA 3.45Å; Y468-V480 HydrophobicContact CD1-CB 3.87Å; Y468-V480 HydrophobicContact CD1-CG2 3.92Å; Y468-V480 HydrophobicContact CD2-CG2 4.49Å; Y468-V480 HydrophobicContact CE1-CB 3.89Å; Y468-V480 HydrophobicContact CE1-CG2 3.69Å; Y468-V480 HydrophobicContact CE2-CG2 4.31Å; Y468-V480 HydrophobicContact CG-CG2 4.33Å; V480-Q482 HydrophobicContact CG2-CG 4.45Å |
| 481 | R | 97.6 | Very high | 94.6 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.6 | 167.8 | -62.4 | -70.9 | 164.5 | 167.4 | -6 | 108.9 | I378 D380 Q466 A467 Y483 | I378-R481 HydrophobicContact CD1-CG 4.19Å; I378-R481 HydrophobicContact CG2-CG 4.49Å; D380-R481 IonicContact OD1-NH1 2.69Å; Q466-R481 CarbonylContact C-O 3.4Å; Q466-R481 WeakPolarHBondContact CA-O 3.46Å; A467-R481 HydrophobicContact CB-CB 4.4Å; A467-R481 PolarHBondContact N-O 3.35Å; A467-R481 PolarHBondContact O-N 2.82Å; R481-Y483 HydrophobicContact CB-CE2 3.9Å; R481-Y483 WeakPolarHBondContact CB-OH 3.25Å |
| 482 | Q | 96.9 | Very high | 94.6 | Very high | 120 Ų | 120 | 49 Ų | 49 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.3 | -177.7 | -63.5 | -173.3 | -22.3 | 0 | 0 | 109.5 | T464 Q466 V480 | T464-Q482 HydrophobicContact CG2-CB 3.99Å; T464-Q482 HydrophobicContact CG2-CG 4.37Å; Q466-Q482 HydrophobicContact CG-CG 4.13Å; V480-Q482 HydrophobicContact CG2-CG 4.45Å |
| 483 | Y | 96.8 | Very high | 94.7 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 7% | 0.071 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.1 | 178.9 | -50.5 | -77.5 | 0 | 0 | 0 | 109.2 | D380 F382 L393 L395 T464 L465 A467 R481 | D380-Y483 HydrophobicContact CB-CE1 4.34Å; D380-Y483 WeakPolarHBondContact CB-OH 3.27Å; D380-Y483 WeakPolarHBondContact OD2-CE1 3.25Å; D380-Y483 PolarHBondContact OD2-OH 3.07Å; D380-Y483 VanDerWaalsContact OD2-OH 3.12Å; F382-Y483 HydrophobicContact CB-CD1 3.6Å; F382-Y483 HydrophobicContact CB-CE1 4.04Å; F382-Y483 HydrophobicContact CB-CG 4.23Å; F382-Y483 HydrophobicContact CD1-CD1 4.34Å; F382-Y483 HydrophobicContact CD1-CG 4.32Å; F382-Y483 AromaticContact CG-CD1 3.98Å; F382-Y483 HydrophobicContact CG-CD1 3.98Å; F382-Y483 HydrophobicContact CG-CG 4.12Å; L393-Y483 HydrophobicContact CD1-CD1 4.43Å; L393-Y483 HydrophobicContact CD1-CD2 4.13Å; L393-Y483 HydrophobicContact CD1-CE1 3.89Å; L393-Y483 HydrophobicContact CD1-CE2 3.53Å; L393-Y483 VanDerWaalsContact CD1-CZ 3.4Å; L393-Y483 HydrophobicContact CD2-CD2 4.36Å; L393-Y483 HydrophobicContact CD2-CE2 3.99Å; L393-Y483 HydrophobicContact CG-CE2 4.44Å; L395-Y483 WeakPolarHBondContact CD2-OH 3.44Å; T464-Y483 CarbonylContact C-O 3.53Å; T464-Y483 WeakPolarHBondContact CA-O 3.24Å; L465-Y483 HydrophobicContact CG-CD2 4.43Å; L465-Y483 PolarHBondContact N-O 2.74Å; L465-Y483 PolarHBondContact O-N 2.86Å; A467-Y483 HydrophobicContact CB-CE2 3.83Å; R481-Y483 HydrophobicContact CB-CE2 3.9Å; R481-Y483 WeakPolarHBondContact CB-OH 3.25Å |
| 484 | Q | 95.6 | Very high | 95 | Very high | 87 Ų | 87 | 44.8 Ų | 44.8 | 41% | 0.407 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.9 | -179.5 | -65.8 | -62.7 | -49 | 0 | 0 | 109.9 | T464 | T464-Q484 PolarHBondContact OG1-NE2 2.77Å |
| 485 | I | 96.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 112.6 | 168.4 | -63.5 | 171.2 | 0 | 0 | 0 | 106.8 | V410 I412 Y462 G463 L465 | V410-I485 HydrophobicContact CG2-CB 4.33Å; V410-I485 HydrophobicContact CG2-CD1 3.55Å; V410-I485 HydrophobicContact CG2-CG1 4.48Å; I412-I485 HydrophobicContact CG2-CD1 3.49Å; I412-I485 VanDerWaalsContact CG2-CD1 3.49Å; Y462-I485 VanDerWaalsContact CA-O 3.3Å; Y462-I485 WeakPolarHBondContact CA-O 3.48Å; Y462-I485 VanDerWaalsContact CB-O 3.24Å; Y462-I485 WeakPolarHBondContact CB-O 3.46Å; G463-I485 PolarHBondContact N-O 2.88Å; G463-I485 VanDerWaalsContact N-O 3.09Å; G463-I485 PolarHBondContact O-N 2.88Å; L465-I485 HydrophobicContact CB-CD1 4.22Å |
| 486 | K | 97.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | trans | -76.3 | 153.4 | -174.7 | -57.7 | -71.4 | 179.3 | 168.9 | 0 | 111.2 | L488 S489 V522 F523 P526 | K486-L488 VanDerWaalsContact C-N 3.29Å; K486-L488 PolarHBondContact O-N 3.01Å; K486-S489 WeakPolarHBondContact O-CB 3.12Å; K486-S489 PolarHBondContact O-N 3.49Å; K486-S489 VanDerWaalsContact O-N 3.14Å; K486-V522 PolarHBondContact NZ-O 3.25Å; K486-F523 WeakPolarHBondContact CD-O 3.39Å; K486-P526 HydrophobicContact CB-CG 4.34Å; K486-P526 HydrophobicContact CG-CG 4.28Å | ||
| 487 | P | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -42.9 | 173.1 | -26.1 | 31.9 | 0 | 0 | 0 | 114.4 | G460 Y462 F523 I572 V576 | G460-P487 PolarHBondContact N-O 3.08Å; Y462-P487 HydrophobicContact CD1-CB 3.99Å; Y462-P487 HydrophobicContact CD1-CG 3.75Å; Y462-P487 HydrophobicContact CD2-CG 4.24Å; Y462-P487 HydrophobicContact CE1-CG 4.38Å; Y462-P487 HydrophobicContact CG-CB 4.3Å; Y462-P487 HydrophobicContact CG-CG 3.67Å; P487-F523 WeakPolarHBondContact CD-O 3.46Å; P487-F523 HydrophobicContact CG-CD1 4.25Å; P487-F523 HydrophobicContact CG-CE1 3.97Å; P487-I572 HydrophobicContact CB-CG2 4.02Å; P487-V576 HydrophobicContact CB-CG2 3.98Å; P487-V576 HydrophobicContact CG-CG1 4Å; P487-V576 HydrophobicContact CG-CG2 4.09Å |
| 488 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 52.8 | 175.4 | -65.5 | -176.7 | 0 | 0 | 0 | 109.9 | K486 L490 H491 C524 L525 P526 I551 T569 I572 L573 | K486-L488 VanDerWaalsContact C-N 3.29Å; K486-L488 PolarHBondContact O-N 3.01Å; L488-L490 PolarHBondContact O-N 3.09Å; L488-L490 VanDerWaalsContact O-N 3.08Å; L488-H491 HydrophobicContact CB-CB 4.47Å; L488-H491 PolarHBondContact O-N 3.07Å; L488-H491 VanDerWaalsContact O-N 3.12Å; L488-C524 WeakPolarHBondContact CB-O 3.45Å; L488-C524 PolarHBondContact N-O 3.42Å; L488-L525 HydrophobicContact CB-CD2 3.83Å; L488-L525 HydrophobicContact CB-CG 4.49Å; L488-L525 HydrophobicContact CD1-CD2 3.65Å; L488-L525 HydrophobicContact CD1-CG 4.11Å; L488-L525 HydrophobicContact CG-CD2 4.41Å; L488-P526 WeakPolarHBondContact O-CD 3.32Å; L488-I551 HydrophobicContact CD1-CD1 3.66Å; L488-T569 HydrophobicContact CD1-CG2 3.96Å; L488-T569 HydrophobicContact CD2-CG2 4.05Å; L488-I572 HydrophobicContact CD2-CB 4.11Å; L488-I572 HydrophobicContact CD2-CD1 4.08Å; L488-I572 HydrophobicContact CD2-CG2 3.81Å; L488-I572 HydrophobicContact CG-CG2 4.37Å; L488-L573 HydrophobicContact CD1-CD1 4.12Å; L488-L573 HydrophobicContact CD1-CD2 3.65Å; L488-L573 HydrophobicContact CD1-CG 3.79Å; L488-L573 HydrophobicContact CG-CD2 4.49Å |
| 489 | S | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.5 | -172.2 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | Y391 S457 K486 | Y391-S489 VanDerWaalsContact CE2-O 3.25Å; Y391-S489 WeakPolarHBondContact CE2-O 3.46Å; Y391-S489 VanDerWaalsContact CZ-O 3.23Å; Y391-S489 WeakPolarHBondContact OH-CA 3.45Å; Y391-S489 WeakPolarHBondContact OH-CB 3.32Å; Y391-S489 PolarHBondContact OH-O 3.13Å; S457-S489 WeakPolarHBondContact OG-CB 3.34Å; S457-S489 PolarHBondContact OG-OG 3.41Å; K486-S489 WeakPolarHBondContact O-CB 3.12Å; K486-S489 PolarHBondContact O-N 3.49Å; K486-S489 VanDerWaalsContact O-N 3.14Å |
| 490 | L | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 7.7 | 179.3 | -54.6 | 175.5 | 0 | 0 | 0 | 112.9 | L384 E459 L488 N544 T545 F546 M670 | L384-L490 HydrophobicContact CD1-CD2 4.27Å; E459-L490 HydrophobicContact CG-CB 4.02Å; E459-L490 HydrophobicContact CG-CD1 3.68Å; E459-L490 HydrophobicContact CG-CG 3.67Å; E459-L490 WeakPolarHBondContact OE1-CB 3.35Å; E459-L490 PolarHBondContact OE1-N 3.45Å; L488-L490 PolarHBondContact O-N 3.09Å; L488-L490 VanDerWaalsContact O-N 3.08Å; L490-N544 WeakPolarHBondContact O-CA 3.28Å; L490-T545 PolarHBondContact O-N 2.89Å; L490-T545 PolarHBondContact O-OG1 3.38Å; L490-F546 HydrophobicContact CD1-CB 4.3Å; L490-M670 HydrophobicContact CD1-CE 4.12Å |
| 491 | H | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 138 | 178.2 | -70.9 | 78.9 | 0 | 0 | 0 | 111.5 | E459 L488 L525 P526 F542 H543 N544 I551 | E459-H491 IonicContact OE1-CE1 3.69Å; E459-H491 PolarHBondContact OE1-CE1 2.93Å; E459-H491 IonicContact OE1-CG 3.44Å; E459-H491 IonicContact OE1-ND1 3.94Å; E459-H491 PolarHBondContact OE1-ND1 3.41Å; E459-H491 IonicContact OE2-CE1 3.65Å; L488-H491 HydrophobicContact CB-CB 4.47Å; L488-H491 PolarHBondContact O-N 3.07Å; L488-H491 VanDerWaalsContact O-N 3.12Å; H491-L525 HydrophobicContact CB-CD2 3.87Å; H491-P526 VanDerWaalsContact O-CG 3.28Å; H491-P526 WeakPolarHBondContact O-CG 3.37Å; H491-F542 HydrophobicContact CB-CB 4.15Å; H491-F542 HydrophobicContact CB-CD1 4.48Å; H491-H543 WeakPolarHBondContact CA-O 3.36Å; H491-N544 PolarHBondContact CE1-ND2 2.85Å; H491-N544 VanDerWaalsContact CE1-ND2 3.27Å; H491-I551 WeakPolarHBondContact CD2-CD1 3.09Å; H491-I551 VanDerWaalsContact NE2-CD1 3.29Å; H491-I551 WeakPolarHBondContact NE2-CD1 3.2Å |
| 492 | Q | 94.5 | Very high | 95.4 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.5 | -178.9 | 177.3 | 165.3 | 62.8 | 0 | 0 | 109.4 | L384 E527 F542 H543 T545 | L384-Q492 HydrophobicContact CD2-CB 4.46Å; Q492-E527 PolarHBondContact NE2-OE1 2.99Å; Q492-F542 CarbonylContact O-C 3.57Å; Q492-F542 WeakPolarHBondContact O-CA 3.46Å; Q492-F542 WeakPolarHBondContact O-CB 3.47Å; Q492-H543 PolarHBondContact N-O 3.1Å; Q492-H543 PolarHBondContact O-CD2 2.78Å; Q492-H543 VanDerWaalsContact O-CD2 3.28Å; Q492-H543 PolarHBondContact O-N 2.86Å; Q492-H543 PolarHBondContact OE1-NE2 2.98Å; Q492-T545 HydrophobicContact CB-CG2 3.79Å |
| 493 | R | 94.2 | Very high | 95.3 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 140.8 | -173.1 | -174.1 | 171.2 | 170.2 | -170.7 | -11.1 | 111 | D145 D169 R170 E527 Y541 F542 | D145-R493 IonicContact OD2-CZ 3.49Å; D145-R493 IonicContact OD2-NH1 2.96Å; D145-R493 PolarHBondContact OD2-NH1 3.15Å; D169-R493 IonicContact OD2-NH2 3.58Å; D169-R493 PolarHBondContact OD2-NH2 2.85Å; R170-R493 PolarHBondContact NE-O 3.35Å; R493-E527 HydrophobicContact CB-CB 3.96Å; R493-E527 WeakPolarHBondContact CB-OE2 3.36Å; R493-E527 WeakPolarHBondContact CD-O 3.3Å; R493-E527 PolarHBondContact N-OE2 2.97Å; R493-E527 VanDerWaalsContact N-OE2 3.08Å; R493-Y541 WeakPolarHBondContact CA-O 3.35Å; R493-F542 HydrophobicContact CB-CD1 4.08Å; R493-F542 HydrophobicContact CB-CE1 3.86Å; R493-F542 HydrophobicContact CG-CE1 4.3Å |
| 494 | T | 94.2 | Very high | 95.4 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 20% | 0.202 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 172.9 | 173.2 | 63.6 | 0 | 0 | 0 | 0 | 111 | S496 Y541 H543 | T494-S496 PolarHBondContact OG1-O 3.08Å; T494-Y541 PolarHBondContact N-O 3.07Å; T494-Y541 WeakPolarHBondContact OG1-CB 3.25Å; T494-H543 HydrophobicContact CG2-CB 4.01Å; T494-H543 WeakPolarHBondContact CG2-CD2 3.45Å |
| 495 | H | 92.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 39.5 Ų | 39.5 | 25% | 0.25 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -88.4 | -27.2 | 175.5 | -55.5 | -66.1 | 0 | 0 | 0 | 113 | D169 R170 E185 Y541 | D169-H495 PolarHBondContact O-CE1 2.79Å; R170-H495 PolarHBondContact O-CE1 2.93Å; R170-H495 PolarHBondContact O-NE2 3.07Å; E185-H495 VanDerWaalsContact CD-CB 3.5Å; E185-H495 VanDerWaalsContact CD-CG 3.43Å; E185-H495 HydrophobicContact CG-CB 4.36Å; E185-H495 VanDerWaalsContact OE1-CB 3.32Å; E185-H495 WeakPolarHBondContact OE1-CB 3.2Å; E185-H495 IonicContact OE1-CG 2.82Å; E185-H495 IonicContact OE2-CD2 3.96Å; E185-H495 PolarHBondContact OE2-CD2 2.94Å; E185-H495 IonicContact OE2-CG 3.82Å; H495-Y541 WeakPolarHBondContact O-CD2 3.31Å |
| 496 | S | 93.4 | Very high | 95.5 | Very high | 83 Ų | 83 | 39.4 Ų | 39.4 | 58% | 0.58 | 21% | 0.206 | S | C | * | . | trans | -150 | 169.5 | -177.2 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | T494 | T494-S496 PolarHBondContact OG1-O 3.08Š| ||
| 497 | I | 94.8 | Very high | 95.6 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | trans | -134.8 | 166 | 176.2 | 59.9 | 173.4 | 0 | 0 | 0 | 109.8 | P499 M503 Y541 Q550 E552 | I497-P499 WeakPolarHBondContact O-CD 3.05Å; I497-M503 HydrophobicContact CD1-CE 4.15Å; I497-Y541 HydrophobicContact CB-CD1 4.38Å; I497-Y541 HydrophobicContact CD1-CD1 3.94Å; I497-Y541 HydrophobicContact CD1-CE1 4.07Å; I497-Y541 HydrophobicContact CG1-CD1 3.85Å; I497-Y541 HydrophobicContact CG1-CE1 4.01Å; I497-Y541 HydrophobicContact CG2-CD1 3.78Å; I497-Y541 HydrophobicContact CG2-CG 4.2Å; I497-Q550 HydrophobicContact CB-CB 4.36Å; I497-Q550 HydrophobicContact CB-CG 4.49Å; I497-Q550 HydrophobicContact CG2-CB 4.02Å; I497-Q550 HydrophobicContact CG2-CG 4.24Å; I497-E552 HydrophobicContact CD1-CB 3.75Å; I497-E552 HydrophobicContact CD1-CG 4.37Å | ||
| 498 | D | 94.4 | Very high | 95.6 | Very high | 62 Ų | 62 | 37.7 Ų | 37.7 | 33% | 0.332 | 20% | 0.2 | S | C | . | . | trans | -86.1 | 112.3 | 176.1 | 177 | 0.6 | 0 | 0 | 0 | 109.7 | D500 R501 M503 | D498-D500 PolarHBondContact O-N 2.8Å; D498-D500 PolarHBondContact OD1-N 3.27Å; D498-R501 HydrophobicContact CB-CG 3.95Å; D498-R501 WeakPolarHBondContact OD2-CG 3.48Å; D498-R501 IonicContact OD2-NE 3.26Å; D498-R501 PolarHBondContact OD2-NE 3.02Å; D498-M503 WeakPolarHBondContact O-CE 3.34Å | ||
| 499 | P | 90.4 | Very high | 95.6 | Very high | 106 Ų | 106 | 40.7 Ų | 40.7 | 69% | 0.688 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -16.3 | -175.8 | 31.7 | -35.9 | 0 | 0 | 0 | 113.3 | I497 R501 | I497-P499 WeakPolarHBondContact O-CD 3.05Å; P499-R501 VanDerWaalsContact C-N 3.3Å; P499-R501 PolarHBondContact O-N 3.29Å |
| 500 | D | 94.3 | Very high | 95.6 | Very high | 151 Ų | 151 | 41.6 Ų | 41.6 | 81% | 0.807 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.5 | -174.8 | -66.7 | -31.9 | 0 | 0 | 0 | 112.7 | D498 | D498-D500 PolarHBondContact O-N 2.8Å; D498-D500 PolarHBondContact OD1-N 3.27Å |
| 501 | R | 95.4 | Very high | 95.5 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -71.9 | 149.8 | 178.1 | -60.1 | -169.4 | -179.9 | -169.7 | 2.9 | 112.1 | D498 P499 M503 G548 D565 | D498-R501 HydrophobicContact CB-CG 3.95Å; D498-R501 WeakPolarHBondContact OD2-CG 3.48Å; D498-R501 IonicContact OD2-NE 3.26Å; D498-R501 PolarHBondContact OD2-NE 3.02Å; P499-R501 VanDerWaalsContact C-N 3.3Å; P499-R501 PolarHBondContact O-N 3.29Å; R501-M503 VanDerWaalsContact C-N 3.34Å; R501-M503 HydrophobicContact CB-CE 3.92Å; R501-M503 WeakPolarHBondContact O-CG 3.45Å; R501-M503 PolarHBondContact O-N 3.19Å; R501-G548 PolarHBondContact NH1-O 3.43Å; R501-D565 HydrophobicContact CB-CB 4.14Å; R501-D565 WeakPolarHBondContact CD-OD2 3.4Å; R501-D565 IonicContact CZ-OD2 2.75Å; R501-D565 IonicContact NE-OD2 2.91Å; R501-D565 IonicContact NH1-OD2 2.72Å; R501-D565 PolarHBondContact NH1-OD2 3.12Å |
| 502 | P | 96.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | trans | -71.3 | 86.4 | 178.2 | 29.3 | -35.3 | 0 | 0 | 0 | 111.5 | N595 D597 S598 H601 | P502-N595 HydrophobicContact CB-CB 4.44Å; P502-N595 WeakPolarHBondContact CB-ND2 3.2Å; P502-D597 HydrophobicContact CB-CB 4.18Å; P502-S598 VanDerWaalsContact O-CB 3.3Å; P502-S598 WeakPolarHBondContact O-CB 3.36Å; P502-H601 HydrophobicContact CG-CB 3.56Å | ||
| 503 | M | 96.5 | Very high | 95.6 | Very high | 38 Ų | 38 | 52.2 Ų | 52.2 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | trans | -77.8 | 129.8 | -177.2 | -62.5 | -60.6 | -179.2 | 0 | 0 | 112.4 | I497 D498 R501 K563 D565 | I497-M503 HydrophobicContact CD1-CE 4.15Å; D498-M503 WeakPolarHBondContact O-CE 3.34Å; R501-M503 VanDerWaalsContact C-N 3.34Å; R501-M503 HydrophobicContact CB-CE 3.92Å; R501-M503 WeakPolarHBondContact O-CG 3.45Å; R501-M503 PolarHBondContact O-N 3.19Å; M503-K563 HydrophobicContact CB-CB 4.3Å; M503-D565 HydrophobicContact SD-CB 4.12Å; M503-D565 PolarHBondContact SD-N 3.14Å; M503-D565 VanDerWaalsContact SD-N 3.42Å | ||
| 504 | N | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 144.2 | 161.1 | -56.4 | -70.1 | 0 | 0 | 0 | 109.1 | K563 S564 I570 D593 I594 N595 S598 | N504-K563 CarbonylContact O-C 3.54Å; N504-K563 WeakPolarHBondContact O-CA 3.38Å; N504-S564 WeakPolarHBondContact CB-O 3.34Å; N504-S564 PolarHBondContact N-O 3.25Å; N504-S564 PolarHBondContact ND2-O 2.92Å; N504-S564 VanDerWaalsContact ND2-O 3.16Å; N504-S564 PolarHBondContact O-N 2.83Å; N504-I570 HydrophobicContact CB-CG1 3.94Å; N504-D593 CarbonylContact C-O 3.53Å; N504-D593 WeakPolarHBondContact CA-O 3.39Å; N504-I594 HydrophobicContact CB-CD1 4.26Å; N504-I594 WeakPolarHBondContact OD1-CA 3.49Å; N504-I594 WeakPolarHBondContact OD1-CG2 3.49Å; N504-N595 PolarHBondContact OD1-N 3.05Å; N504-S598 WeakPolarHBondContact ND2-CB 3.37Å; N504-S598 PolarHBondContact ND2-OG 2.78Å; N504-S598 PolarHBondContact OD1-OG 2.78Å; N504-S598 VanDerWaalsContact OD1-OG 3.06Å |
| 505 | R | 97.5 | Very high | 95.8 | Very high | 102 Ų | 102 | 52.7 Ų | 52.7 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.9 | 179.9 | -175.1 | -179.8 | 178.8 | 176.5 | 2.4 | 111.3 | S507 H561 F562 K563 Y592 D593 | R505-S507 PolarHBondContact NE-OG 2.81Å; R505-H561 PolarHBondContact NH2-CE1 3Å; R505-H561 VanDerWaalsContact NH2-CE1 3.29Å; R505-H561 PolarHBondContact NH2-ND1 3.19Å; R505-F562 CarbonylContact C-O 3.57Å; R505-F562 WeakPolarHBondContact CA-O 3.45Å; R505-K563 HydrophobicContact CG-CG 4.38Å; R505-Y592 CarbonylContact O-C 3.53Å; R505-Y592 WeakPolarHBondContact O-CA 3.47Å; R505-D593 HydrophobicContact CB-CB 4.26Å; R505-D593 PolarHBondContact N-O 2.99Å; R505-D593 PolarHBondContact O-N 2.83Å |
| 506 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.1 | 166.6 | 176.4 | 67.1 | 0 | 0 | 0 | 108.8 | L508 H561 F562 I570 L573 R574 I590 | L506-L508 HydrophobicContact CD1-CD2 4.46Å; L506-L508 HydrophobicContact CG-CD2 4.49Å; L506-H561 WeakPolarHBondContact O-CA 3.46Å; L506-F562 HydrophobicContact CB-CB 4.29Å; L506-F562 HydrophobicContact CD2-CD2 4.26Å; L506-F562 PolarHBondContact N-O 3.12Å; L506-F562 PolarHBondContact O-N 2.71Å; L506-I570 HydrophobicContact CB-CD1 4.2Å; L506-I570 HydrophobicContact CB-CG2 3.83Å; L506-L573 HydrophobicContact CD2-CB 3.88Å; L506-R574 HydrophobicContact CD1-CB 4.2Å; L506-R574 HydrophobicContact CD1-CG 4.41Å; L506-R574 HydrophobicContact CD2-CB 4.18Å; L506-I590 HydrophobicContact CD1-CG2 3.6Å |
| 507 | S | 98.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.5 | 177 | -57.6 | 0 | 0 | 0 | 0 | 110.5 | R505 G560 H561 S591 | R505-S507 PolarHBondContact NE-OG 2.81Å; S507-G560 CarbonylContact C-O 3.46Å; S507-G560 WeakPolarHBondContact CA-O 3.4Å; S507-H561 WeakPolarHBondContact CB-ND1 3.43Å; S507-H561 PolarHBondContact OG-ND1 3.27Å; S507-S591 WeakPolarHBondContact CB-OG 3.41Å; S507-S591 PolarHBondContact N-O 3.38Å; S507-S591 PolarHBondContact O-N 2.92Å |
| 508 | L | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125 | 177.5 | -55.4 | 174.9 | 0 | 0 | 0 | 108.3 | L506 E559 G560 F562 L577 L588 I590 | L506-L508 HydrophobicContact CD1-CD2 4.46Å; L506-L508 HydrophobicContact CG-CD2 4.49Å; L508-E559 CarbonylContact O-C 3.56Å; L508-E559 WeakPolarHBondContact O-CA 3.25Å; L508-G560 PolarHBondContact N-O 2.89Å; L508-G560 PolarHBondContact O-N 3.43Å; L508-F562 HydrophobicContact CD1-CD2 4.43Å; L508-F562 HydrophobicContact CD1-CE2 3.75Å; L508-F562 HydrophobicContact CG-CE2 4.4Å; L508-L577 HydrophobicContact CD1-CB 3.95Å; L508-L577 HydrophobicContact CD1-CD1 3.52Å; L508-L577 HydrophobicContact CD1-CG 4.29Å; L508-L588 HydrophobicContact CD2-CD1 4.35Å; L508-I590 HydrophobicContact CD2-CB 4.14Å; L508-I590 HydrophobicContact CD2-CD1 3.85Å; L508-I590 HydrophobicContact CD2-CG1 3.59Å; L508-I590 HydrophobicContact CD2-CG2 3.84Å |
| 509 | V | 97.7 | Very high | 96.4 | Very high | 63 Ų | 63 | 47.4 Ų | 47.4 | 38% | 0.382 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.2 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | G558 E559 N589 | V509-G558 WeakPolarHBondContact CA-O 3.41Å; V509-E559 HydrophobicContact CG2-CG 4.42Å; V509-N589 HydrophobicContact CB-CB 4.48Å; V509-N589 PolarHBondContact N-O 2.83Å; V509-N589 PolarHBondContact O-N 3.16Å |
| 510 | G | 95.9 | Very high | 96.8 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.5 | -178.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F512 G558 | G510-F512 PolarHBondContact O-N 2.84Å; G510-G558 PolarHBondContact N-O 2.89Å; G510-G558 WeakPolarHBondContact O-CA 3.5Å |
| 511 | Q | 95.5 | Very high | 96.9 | Very high | 181 Ų | 181 | 35.3 Ų | 35.3 | 85% | 0.846 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -91 | 75.3 | 178.3 | -66.7 | -174.9 | -10.7 | 0 | 0 | 110.5 | ||
| 512 | F | 96.7 | Very high | 97 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | trans | -128.8 | 148.4 | 172.9 | 53.6 | -98.2 | 0 | 0 | 0 | 110.9 | G510 E516 I517 W520 G558 E559 I586 L588 | G510-F512 PolarHBondContact O-N 2.84Å; F512-E516 WeakPolarHBondContact CA-OE2 3.44Å; F512-E516 HydrophobicContact CB-CB 4.21Å; F512-I517 HydrophobicContact CD2-CB 3.6Å; F512-I517 HydrophobicContact CD2-CG1 4.43Å; F512-I517 HydrophobicContact CD2-CG2 3.9Å; F512-I517 HydrophobicContact CE2-CB 3.54Å; F512-I517 HydrophobicContact CE2-CD1 4.3Å; F512-I517 HydrophobicContact CE2-CG1 3.9Å; F512-I517 HydrophobicContact CE2-CG2 3.82Å; F512-I517 HydrophobicContact CZ-CB 4.48Å; F512-I517 HydrophobicContact CZ-CD1 4.46Å; F512-I517 HydrophobicContact CZ-CG1 4.48Å; F512-W520 HydrophobicContact CB-CH2 3.99Å; F512-W520 HydrophobicContact CB-CZ3 4.49Å; F512-W520 HydrophobicContact CD1-CH2 4.12Å; F512-W520 HydrophobicContact CD1-CZ3 4.05Å; F512-W520 HydrophobicContact CE1-CZ3 4.47Å; F512-W520 HydrophobicContact CG-CH2 4.17Å; F512-W520 HydrophobicContact CG-CZ3 4.2Å; F512-G558 VanDerWaalsContact CE2-C 3.47Å; F512-G558 WeakPolarHBondContact CZ-O 3.42Å; F512-G558 PolarHBondContact O-N 3.36Å; F512-G558 VanDerWaalsContact O-N 3.08Å; F512-E559 VanDerWaalsContact CZ-N 3.33Å; F512-I586 HydrophobicContact CB-CD1 4.19Å; F512-I586 HydrophobicContact CB-CG2 4.44Å; F512-I586 HydrophobicContact CD1-CG2 4.44Å; F512-L588 HydrophobicContact CD1-CD2 3.6Å; F512-L588 HydrophobicContact CE1-CD2 3.57Å | ||
| 513 | S | 96.2 | Very high | 97 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 32% | 0.315 | 19% | 0.194 | S | C | . | . | trans | -75.2 | 162.1 | 171.8 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | A515 E516 I517 | S513-A515 VanDerWaalsContact C-N 3.27Å; S513-A515 PolarHBondContact O-N 2.88Å; S513-E516 WeakPolarHBondContact CB-OE2 3.24Å; S513-E516 PolarHBondContact N-OE2 2.87Å; S513-E516 PolarHBondContact O-N 2.86Å; S513-E516 WeakPolarHBondContact OG-CB 3.43Å; S513-E516 VanDerWaalsContact OG-CD 3.31Å; S513-E516 VanDerWaalsContact OG-CG 3.25Å; S513-E516 WeakPolarHBondContact OG-CG 3.42Å; S513-E516 PolarHBondContact OG-N 3.26Å; S513-E516 PolarHBondContact OG-OE2 3.18Å; S513-I517 PolarHBondContact O-N 3.42Å | ||
| 514 | F | 96.7 | Very high | 97.1 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 11% | 0.114 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.3 | -39.3 | 174.9 | -177.6 | -133.8 | 0 | 0 | 0 | 112.2 | E516 I517 H518 T532 P533 V538 Y555 K557 | F514-E516 VanDerWaalsContact C-N 3.34Å; F514-E516 PolarHBondContact O-N 3.28Å; F514-I517 HydrophobicContact CD2-CG2 4.26Å; F514-I517 WeakPolarHBondContact O-CG2 3.44Å; F514-H518 WeakPolarHBondContact O-CB 3.33Å; F514-H518 PolarHBondContact O-N 3.2Å; F514-T532 HydrophobicContact CD1-CG2 3.43Å; F514-T532 VanDerWaalsContact CD1-CG2 3.43Å; F514-T532 HydrophobicContact CE1-CG2 3.44Å; F514-T532 VanDerWaalsContact CE1-CG2 3.44Å; F514-T532 HydrophobicContact CG-CG2 4.21Å; F514-T532 HydrophobicContact CZ-CG2 4.21Å; F514-P533 WeakPolarHBondContact CE1-O 3.17Å; F514-V538 HydrophobicContact CE2-CG1 3.93Å; F514-V538 HydrophobicContact CZ-CB 4.19Å; F514-V538 HydrophobicContact CZ-CG1 3.88Å; F514-Y555 HydrophobicContact CD2-CD2 4.12Å; F514-Y555 HydrophobicContact CD2-CE2 4.35Å; F514-Y555 AromaticContact CE2-CD2 3.67Å; F514-Y555 HydrophobicContact CE2-CD2 3.67Å; F514-Y555 AromaticContact CE2-CE2 3.69Å; F514-Y555 HydrophobicContact CE2-CE2 3.69Å; F514-Y555 HydrophobicContact CZ-CE2 4.45Å; F514-K557 HydrophobicContact CB-CB 4.42Å |
| 515 | A | 95.9 | Very high | 97 | Very high | 49 Ų | 49 | 34 Ų | 34 | 41% | 0.405 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.5 | -34.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | S513 S519 | S513-A515 VanDerWaalsContact C-N 3.27Å; S513-A515 PolarHBondContact O-N 2.88Å; A515-S519 WeakPolarHBondContact O-CB 3.14Å; A515-S519 PolarHBondContact O-N 2.86Å |
| 516 | E | 96.3 | Very high | 96.9 | Very high | 62 Ų | 62 | 29.9 Ų | 29.9 | 29% | 0.29 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.9 | -52.1 | 177.6 | -77.5 | 164.5 | 139.4 | 0 | 0 | 111.7 | F512 S513 F514 H518 S519 W520 | F512-E516 WeakPolarHBondContact CA-OE2 3.44Å; F512-E516 HydrophobicContact CB-CB 4.21Å; S513-E516 WeakPolarHBondContact CB-OE2 3.24Å; S513-E516 PolarHBondContact N-OE2 2.87Å; S513-E516 PolarHBondContact O-N 2.86Å; S513-E516 WeakPolarHBondContact OG-CB 3.43Å; S513-E516 VanDerWaalsContact OG-CD 3.31Å; S513-E516 VanDerWaalsContact OG-CG 3.25Å; S513-E516 WeakPolarHBondContact OG-CG 3.42Å; S513-E516 PolarHBondContact OG-N 3.26Å; S513-E516 PolarHBondContact OG-OE2 3.18Å; F514-E516 VanDerWaalsContact C-N 3.34Å; F514-E516 PolarHBondContact O-N 3.28Å; E516-H518 VanDerWaalsContact C-N 3.27Å; E516-H518 PolarHBondContact O-N 2.69Å; E516-S519 PolarHBondContact O-N 3.48Å; E516-S519 VanDerWaalsContact O-N 3.15Å; E516-S519 PolarHBondContact O-OG 3.37Å; E516-W520 HydrophobicContact CB-CZ2 4.48Å; E516-W520 VanDerWaalsContact O-CD1 3.28Å; E516-W520 VanDerWaalsContact O-CG 3.29Å; E516-W520 PolarHBondContact O-N 2.78Å; E516-W520 VanDerWaalsContact O-N 3.08Å |
| 517 | I | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 177.1 | -175 | 60.5 | 0 | 0 | 0 | 111.4 | F512 S513 F514 S519 W520 V521 Y555 F562 | F512-I517 HydrophobicContact CD2-CB 3.6Å; F512-I517 HydrophobicContact CD2-CG1 4.43Å; F512-I517 HydrophobicContact CD2-CG2 3.9Å; F512-I517 HydrophobicContact CE2-CB 3.54Å; F512-I517 HydrophobicContact CE2-CD1 4.3Å; F512-I517 HydrophobicContact CE2-CG1 3.9Å; F512-I517 HydrophobicContact CE2-CG2 3.82Å; F512-I517 HydrophobicContact CZ-CB 4.48Å; F512-I517 HydrophobicContact CZ-CD1 4.46Å; F512-I517 HydrophobicContact CZ-CG1 4.48Å; S513-I517 PolarHBondContact O-N 3.42Å; F514-I517 HydrophobicContact CD2-CG2 4.26Å; F514-I517 WeakPolarHBondContact O-CG2 3.44Å; I517-S519 PolarHBondContact O-N 2.99Å; I517-W520 HydrophobicContact CD1-CE3 3.57Å; I517-W520 HydrophobicContact CD1-CZ3 4.11Å; I517-W520 WeakPolarHBondContact O-CB 3.29Å; I517-W520 PolarHBondContact O-N 3.21Å; I517-V521 WeakPolarHBondContact O-CG2 3.3Å; I517-V521 PolarHBondContact O-N 3.32Å; I517-Y555 HydrophobicContact CB-CD2 4.49Å; I517-Y555 HydrophobicContact CG1-CD2 4.06Å; I517-Y555 HydrophobicContact CG1-CG 4.12Å; I517-Y555 HydrophobicContact CG2-CD2 3.72Å; I517-Y555 HydrophobicContact CG2-CE2 4.4Å; I517-Y555 HydrophobicContact CG2-CG 4.5Å; I517-F562 HydrophobicContact CD1-CZ 4.44Å |
| 518 | H | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 174.8 | -178 | 67.6 | 0 | 0 | 0 | 111.4 | F514 E516 W520 V521 V522 P529 K531 T532 P533 Y555 | F514-H518 WeakPolarHBondContact O-CB 3.33Å; F514-H518 PolarHBondContact O-N 3.2Å; E516-H518 VanDerWaalsContact C-N 3.27Å; E516-H518 PolarHBondContact O-N 2.69Å; H518-W520 PolarHBondContact O-N 3.25Å; H518-V521 PolarHBondContact O-N 3.44Å; H518-V521 VanDerWaalsContact O-N 3.07Å; H518-V522 WeakPolarHBondContact O-CG2 3.29Å; H518-V522 PolarHBondContact O-N 3.37Å; H518-P529 PolarHBondContact CE1-O 3.16Å; H518-P529 PolarHBondContact NE2-O 3.37Å; H518-K531 PolarHBondContact NE2-O 3.41Å; H518-T532 HydrophobicContact CB-CG2 4.15Å; H518-T532 VanDerWaalsContact CD2-CA 3.43Å; H518-T532 WeakPolarHBondContact CD2-CA 3.24Å; H518-P533 WeakPolarHBondContact CE1-CD 3.39Å; H518-Y555 HydrophobicContact CB-CE2 3.97Å; H518-Y555 AromaticContact ND1-CE2 3.99Å; H518-Y555 AromaticContact ND1-CZ 3.87Å; H518-Y555 PolarHBondContact ND1-OH 3.19Å |
| 519 | S | 97.1 | Very high | 96.3 | Very high | 57 Ų | 57 | 33.4 Ų | 33.4 | 40% | 0.399 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.8 | -33.6 | 176.5 | 76.9 | 0 | 0 | 0 | 0 | 113 | A515 E516 I517 F523 | A515-S519 WeakPolarHBondContact O-CB 3.14Å; A515-S519 PolarHBondContact O-N 2.86Å; E516-S519 PolarHBondContact O-N 3.48Å; E516-S519 VanDerWaalsContact O-N 3.15Å; E516-S519 PolarHBondContact O-OG 3.37Å; I517-S519 PolarHBondContact O-N 2.99Å; S519-F523 WeakPolarHBondContact O-CB 3.15Å; S519-F523 PolarHBondContact O-N 3.44Å |
| 520 | W | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.6 | -38.5 | 174.8 | -56 | -16.9 | 0 | 0 | 0 | 111.6 | F512 E516 I517 H518 F523 C524 L577 E580 A581 I586 L588 | F512-W520 HydrophobicContact CB-CH2 3.99Å; F512-W520 HydrophobicContact CB-CZ3 4.49Å; F512-W520 HydrophobicContact CD1-CH2 4.12Å; F512-W520 HydrophobicContact CD1-CZ3 4.05Å; F512-W520 HydrophobicContact CE1-CZ3 4.47Å; F512-W520 HydrophobicContact CG-CH2 4.17Å; F512-W520 HydrophobicContact CG-CZ3 4.2Å; E516-W520 HydrophobicContact CB-CZ2 4.48Å; E516-W520 VanDerWaalsContact O-CD1 3.28Å; E516-W520 VanDerWaalsContact O-CG 3.29Å; E516-W520 PolarHBondContact O-N 2.78Å; E516-W520 VanDerWaalsContact O-N 3.08Å; I517-W520 HydrophobicContact CD1-CE3 3.57Å; I517-W520 HydrophobicContact CD1-CZ3 4.11Å; I517-W520 WeakPolarHBondContact O-CB 3.29Å; I517-W520 PolarHBondContact O-N 3.21Å; H518-W520 PolarHBondContact O-N 3.25Å; W520-F523 WeakPolarHBondContact O-CB 3.39Å; W520-F523 PolarHBondContact O-N 2.97Å; W520-C524 PolarHBondContact O-N 2.89Å; W520-C524 PolarHBondContact O-SG 3.47Å; W520-L577 HydrophobicContact CB-CD2 3.59Å; W520-L577 HydrophobicContact CE3-CD2 4.48Å; W520-L577 HydrophobicContact CG-CD2 4.48Å; W520-E580 HydrophobicContact CD2-CB 4.29Å; W520-E580 HydrophobicContact CG-CB 4Å; W520-A581 HydrophobicContact CH2-CB 3.81Å; W520-A581 HydrophobicContact CZ2-CB 4.17Å; W520-A581 HydrophobicContact CZ3-CB 4.3Å; W520-I586 HydrophobicContact CH2-CB 4.5Å; W520-I586 HydrophobicContact CH2-CD1 4.01Å; W520-I586 HydrophobicContact CH2-CG2 4.3Å; W520-I586 HydrophobicContact CZ2-CD1 3.75Å; W520-L588 HydrophobicContact CH2-CD2 4.37Å; W520-L588 HydrophobicContact CZ3-CD1 4.25Å; W520-L588 HydrophobicContact CZ3-CD2 4.24Å |
| 521 | V | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.1 | -44.7 | 175 | 172.5 | 0 | 0 | 0 | 0 | 111 | I517 H518 F523 C524 L525 V528 Y555 F562 | I517-V521 WeakPolarHBondContact O-CG2 3.3Å; I517-V521 PolarHBondContact O-N 3.32Å; H518-V521 PolarHBondContact O-N 3.44Å; H518-V521 VanDerWaalsContact O-N 3.07Å; V521-F523 PolarHBondContact O-N 3.25Å; V521-C524 PolarHBondContact O-N 3.03Å; V521-L525 HydrophobicContact CG1-CD1 4.14Å; V521-L525 PolarHBondContact O-N 2.84Å; V521-V528 HydrophobicContact CG1-CG1 4.35Å; V521-V528 HydrophobicContact CG1-CG2 4.11Å; V521-Y555 HydrophobicContact CB-CE1 4.16Å; V521-Y555 HydrophobicContact CG1-CE1 3.89Å; V521-Y555 HydrophobicContact CG2-CD1 4.04Å; V521-Y555 HydrophobicContact CG2-CE1 3.75Å; V521-F562 HydrophobicContact CG2-CE1 3.92Å; V521-F562 HydrophobicContact CG2-CZ 3.96Å |
| 522 | V | 97.2 | Very high | 95.6 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 16% | 0.158 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -34.7 | 172.1 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | K486 H518 V528 P529 | K486-V522 PolarHBondContact NZ-O 3.25Å; H518-V522 WeakPolarHBondContact O-CG2 3.29Å; H518-V522 PolarHBondContact O-N 3.37Å; V522-V528 HydrophobicContact CG2-CB 4.02Å; V522-V528 HydrophobicContact CG2-CG1 3.52Å; V522-P529 VanDerWaalsContact CG2-O 3.31Å; V522-P529 WeakPolarHBondContact CG2-O 3.49Å |
| 523 | F | 97.2 | Very high | 95.2 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 24% | 0.241 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.8 | -38.6 | 174.3 | -178.2 | -96.3 | 0 | 0 | 0 | 112.2 | Y462 K486 P487 S519 W520 V521 V576 E580 | Y462-F523 AromaticContact CD2-CE1 3.9Å; Y462-F523 HydrophobicContact CD2-CE1 3.9Å; Y462-F523 AromaticContact CD2-CZ 3.59Å; Y462-F523 HydrophobicContact CD2-CZ 3.59Å; Y462-F523 AromaticContact CE2-CE1 3.77Å; Y462-F523 HydrophobicContact CE2-CE1 3.77Å; Y462-F523 AromaticContact CE2-CZ 3.6Å; Y462-F523 HydrophobicContact CE2-CZ 3.6Å; K486-F523 WeakPolarHBondContact CD-O 3.39Å; P487-F523 WeakPolarHBondContact CD-O 3.46Å; P487-F523 HydrophobicContact CG-CD1 4.25Å; P487-F523 HydrophobicContact CG-CE1 3.97Å; S519-F523 WeakPolarHBondContact O-CB 3.15Å; S519-F523 PolarHBondContact O-N 3.44Å; W520-F523 WeakPolarHBondContact O-CB 3.39Å; W520-F523 PolarHBondContact O-N 2.97Å; V521-F523 PolarHBondContact O-N 3.25Å; F523-V576 HydrophobicContact CD1-CG1 3.9Å; F523-V576 HydrophobicContact CE1-CG1 3.8Å; F523-E580 HydrophobicContact CD1-CG 4.28Å |
| 524 | C | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -80.8 | -39.8 | -174.2 | -67 | 0 | 0 | 0 | 0 | 114.2 | L488 W520 V521 L573 V576 | L488-C524 WeakPolarHBondContact CB-O 3.45Å; L488-C524 PolarHBondContact N-O 3.42Å; W520-C524 PolarHBondContact O-N 2.89Å; W520-C524 PolarHBondContact O-SG 3.47Å; V521-C524 PolarHBondContact O-N 3.03Å; C524-L573 HydrophobicContact CB-CD2 4.02Å; C524-V576 VanDerWaalsContact SG-CG1 3.55Å |
| 525 | L | 96.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -116.7 | 141.7 | -167.2 | -77.1 | 158.1 | 0 | 0 | 0 | 111.8 | L488 H491 V521 V528 F542 I551 | L488-L525 HydrophobicContact CB-CD2 3.83Å; L488-L525 HydrophobicContact CB-CG 4.49Å; L488-L525 HydrophobicContact CD1-CD2 3.65Å; L488-L525 HydrophobicContact CD1-CG 4.11Å; L488-L525 HydrophobicContact CG-CD2 4.41Å; H491-L525 HydrophobicContact CB-CD2 3.87Å; V521-L525 HydrophobicContact CG1-CD1 4.14Å; V521-L525 PolarHBondContact O-N 2.84Å; L525-V528 HydrophobicContact CB-CG2 3.9Å; L525-F542 HydrophobicContact CB-CE1 4.34Å; L525-F542 HydrophobicContact CB-CZ 4.15Å; L525-F542 HydrophobicContact CD1-CD2 4.08Å; L525-F542 HydrophobicContact CD1-CE2 3.69Å; L525-F542 HydrophobicContact CD1-CZ 4.14Å; L525-F542 HydrophobicContact CD2-CD1 4.25Å; L525-F542 HydrophobicContact CD2-CD2 4.16Å; L525-F542 HydrophobicContact CD2-CE1 4.46Å; L525-F542 HydrophobicContact CD2-CE2 4.35Å; L525-F542 HydrophobicContact CD2-CG 4.13Å; L525-F542 HydrophobicContact CG-CE2 4.42Å; L525-I551 HydrophobicContact CD2-CD1 4.17Å |
| 526 | P | 94.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 10% | 0.104 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 165.8 | 166.3 | -20.3 | 34.6 | 0 | 0 | 0 | 112.1 | K486 L488 H491 V528 F542 | K486-P526 HydrophobicContact CB-CG 4.34Å; K486-P526 HydrophobicContact CG-CG 4.28Å; L488-P526 WeakPolarHBondContact O-CD 3.32Å; H491-P526 VanDerWaalsContact O-CG 3.28Å; H491-P526 WeakPolarHBondContact O-CG 3.37Å; P526-V528 PolarHBondContact O-N 3.16Å; P526-F542 VanDerWaalsContact O-CE1 3.29Å; P526-F542 WeakPolarHBondContact O-CE1 3.3Å |
| 527 | E | 92.9 | Very high | 93.9 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 26.4 | 169.2 | -58.4 | -177.5 | -174.4 | 0 | 0 | 115.8 | R170 Q492 R493 | R170-E527 IonicContact CZ-OE2 3.5Å; R170-E527 IonicContact NE-OE2 2.73Å; R170-E527 IonicContact NH2-OE1 2.6Å; R170-E527 PolarHBondContact NH2-OE1 2.9Å; R170-E527 IonicContact NH2-OE2 3.81Å; R170-E527 PolarHBondContact NH2-OE2 2.95Å; Q492-E527 PolarHBondContact NE2-OE1 2.99Å; R493-E527 HydrophobicContact CB-CB 3.96Å; R493-E527 WeakPolarHBondContact CB-OE2 3.36Å; R493-E527 WeakPolarHBondContact CD-O 3.3Å; R493-E527 PolarHBondContact N-OE2 2.97Å; R493-E527 VanDerWaalsContact N-OE2 3.08Å |
| 528 | V | 95.2 | Very high | 93.8 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | trans | -97.5 | 131.8 | 168.5 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | V521 V522 L525 P526 F540 F542 | V521-V528 HydrophobicContact CG1-CG1 4.35Å; V521-V528 HydrophobicContact CG1-CG2 4.11Å; V522-V528 HydrophobicContact CG2-CB 4.02Å; V522-V528 HydrophobicContact CG2-CG1 3.52Å; L525-V528 HydrophobicContact CB-CG2 3.9Å; P526-V528 PolarHBondContact O-N 3.16Å; V528-F540 HydrophobicContact CG1-CD2 4.41Å; V528-F540 HydrophobicContact CG1-CE2 3.89Å; V528-F540 HydrophobicContact CG1-CZ 4.4Å; V528-F542 HydrophobicContact CG2-CE1 4.42Å; V528-F542 HydrophobicContact CG2-CZ 3.79Å | ||
| 529 | P | 93.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | trans | -59.8 | 141.4 | 177.2 | 24.5 | -33.7 | 0 | 0 | 0 | 110.5 | Y127 H518 V522 K531 P533 F540 | Y127-P529 HydrophobicContact CE1-CB 4.34Å; H518-P529 PolarHBondContact CE1-O 3.16Å; H518-P529 PolarHBondContact NE2-O 3.37Å; V522-P529 VanDerWaalsContact CG2-O 3.31Å; V522-P529 WeakPolarHBondContact CG2-O 3.49Å; P529-K531 VanDerWaalsContact C-N 3.3Å; P529-K531 PolarHBondContact O-N 2.93Å; P529-P533 HydrophobicContact CG-CG 4.39Å; P529-F540 HydrophobicContact CG-CZ 4.19Å | ||
| 530 | E | 90.5 | Very high | 93.8 | Very high | 143 Ų | 143 | 46.8 Ų | 46.8 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -70.5 | -29.6 | 179.6 | -70.9 | 171.4 | -161.3 | 0 | 0 | 112.4 | K146 | K146-E530 IonicContact NZ-OE1 2.97Š|
| 531 | K | 90.9 | Very high | 93.8 | Very high | 91 Ų | 91 | 50.2 Ų | 50.2 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -82.9 | 130.9 | 175.7 | -69.9 | -171.1 | -176.9 | 175 | 0 | 108.7 | E109 Y127 H518 P529 P533 | E109-K531 IonicContact OE1-NZ 3.54Å; E109-K531 PolarHBondContact OE1-NZ 3.33Å; Y127-K531 HydrophobicContact CD2-CD 3.71Å; Y127-K531 HydrophobicContact CD2-CG 4.48Å; Y127-K531 HydrophobicContact CE1-CB 4.5Å; Y127-K531 HydrophobicContact CE2-CD 3.72Å; Y127-K531 HydrophobicContact CE2-CG 4Å; Y127-K531 HydrophobicContact CG-CD 4.18Å; H518-K531 PolarHBondContact NE2-O 3.41Å; P529-K531 VanDerWaalsContact C-N 3.3Å; P529-K531 PolarHBondContact O-N 2.93Å; K531-P533 WeakPolarHBondContact O-CD 3.47Å |
| 532 | T | 91.8 | Very high | 93.7 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 36% | 0.356 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 123 | 171.9 | -47.8 | 0 | 0 | 0 | 0 | 109.9 | F514 H518 | F514-T532 HydrophobicContact CD1-CG2 3.43Å; F514-T532 VanDerWaalsContact CD1-CG2 3.43Å; F514-T532 HydrophobicContact CE1-CG2 3.44Å; F514-T532 VanDerWaalsContact CE1-CG2 3.44Å; F514-T532 HydrophobicContact CG-CG2 4.21Å; F514-T532 HydrophobicContact CZ-CG2 4.21Å; H518-T532 HydrophobicContact CB-CG2 4.15Å; H518-T532 VanDerWaalsContact CD2-CA 3.43Å; H518-T532 WeakPolarHBondContact CD2-CA 3.24Å |
| 533 | P | 89.4 | Confident | 93.6 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 152.6 | 177.1 | -28 | 35.4 | 0 | 0 | 0 | 112.1 | F514 H518 P529 K531 V538 F540 | F514-P533 WeakPolarHBondContact CE1-O 3.17Å; H518-P533 WeakPolarHBondContact CE1-CD 3.39Å; P529-P533 HydrophobicContact CG-CG 4.39Å; K531-P533 WeakPolarHBondContact O-CD 3.47Å; P533-V538 HydrophobicContact CG-CG2 4.23Å; P533-F540 HydrophobicContact CG-CZ 4.15Å |
| 534 | A | 84.8 | Confident | 93.6 | Very high | 99 Ų | 99 | 47.7 Ų | 47.7 | 82% | 0.818 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -68.8 | 138.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 535 | G | 87.1 | Confident | 93.4 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 59% | 0.588 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 121.9 | -175.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 536 | E | 89.8 | Confident | 93.2 | Very high | 174 Ų | 174 | 49.3 Ų | 49.3 | 81% | 0.813 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -100.2 | -19.4 | -179.2 | -61.2 | -169.4 | 159.8 | 0 | 0 | 113.1 | C556 | E536-C556 WeakPolarHBondContact O-CA 3.41Å; E536-C556 WeakPolarHBondContact O-CB 3.44Å |
| 537 | S | 95 | Very high | 93.1 | Very high | 63 Ų | 63 | 49 Ų | 49 | 44% | 0.441 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 155.2 | -179.8 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | Y555 | S537-Y555 VanDerWaalsContact CA-O 3.24Å; S537-Y555 WeakPolarHBondContact CA-O 3.39Å; S537-Y555 PolarHBondContact OG-O 3.35Å |
| 538 | V | 96.1 | Very high | 93.2 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 13% | 0.127 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 150.9 | 174.2 | 67.1 | 0 | 0 | 0 | 0 | 110.3 | F514 P533 F540 T554 Y555 | F514-V538 HydrophobicContact CE2-CG1 3.93Å; F514-V538 HydrophobicContact CZ-CB 4.19Å; F514-V538 HydrophobicContact CZ-CG1 3.88Å; P533-V538 HydrophobicContact CG-CG2 4.23Å; V538-F540 HydrophobicContact CG1-CD2 4.43Å; V538-F540 HydrophobicContact CG1-CE2 4.02Å; V538-F540 HydrophobicContact CG2-CD2 4.22Å; V538-F540 HydrophobicContact CG2-CE1 4.04Å; V538-F540 HydrophobicContact CG2-CE2 3.73Å; V538-F540 HydrophobicContact CG2-CZ 3.63Å; V538-T554 WeakPolarHBondContact O-CA 3.46Å; V538-Y555 HydrophobicContact CG1-CD1 4.2Å; V538-Y555 HydrophobicContact CG1-CD2 3.87Å; V538-Y555 HydrophobicContact CG1-CE1 3.65Å; V538-Y555 HydrophobicContact CG1-CE2 3.28Å; V538-Y555 HydrophobicContact CG1-CG 4.31Å; V538-Y555 WeakPolarHBondContact CG1-OH 3.36Å; V538-Y555 PolarHBondContact N-O 3.5Å; V538-Y555 PolarHBondContact O-N 2.73Å |
| 539 | T | 96.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 46.5 Ų | 46.5 | 33% | 0.331 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.3 | 171.6 | -63 | 0 | 0 | 0 | 0 | 109.4 | Y541 E552 A553 T554 | T539-Y541 HydrophobicContact CG2-CD1 4.47Å; T539-Y541 HydrophobicContact CG2-CE1 3.82Å; T539-Y541 HydrophobicContact CG2-CE2 3.98Å; T539-E552 HydrophobicContact CG2-CG 4.12Å; T539-A553 CarbonylContact C-O 3.57Å; T539-A553 WeakPolarHBondContact CA-O 3.43Å; T539-T554 VanDerWaalsContact CG2-OG1 3.26Å; T539-T554 WeakPolarHBondContact CG2-OG1 3.49Å; T539-T554 WeakPolarHBondContact OG1-CG2 3.19Å; T539-T554 PolarHBondContact OG1-OG1 3.49Å |
| 540 | F | 97.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 144.6 | 171.6 | -67.2 | -60.1 | 0 | 0 | 0 | 110.6 | V528 P529 P533 V538 F542 A553 Y555 | V528-F540 HydrophobicContact CG1-CD2 4.41Å; V528-F540 HydrophobicContact CG1-CE2 3.89Å; V528-F540 HydrophobicContact CG1-CZ 4.4Å; P529-F540 HydrophobicContact CG-CZ 4.19Å; P533-F540 HydrophobicContact CG-CZ 4.15Å; V538-F540 HydrophobicContact CG1-CD2 4.43Å; V538-F540 HydrophobicContact CG1-CE2 4.02Å; V538-F540 HydrophobicContact CG2-CD2 4.22Å; V538-F540 HydrophobicContact CG2-CE1 4.04Å; V538-F540 HydrophobicContact CG2-CE2 3.73Å; V538-F540 HydrophobicContact CG2-CZ 3.63Å; F540-F542 HydrophobicContact CB-CD2 4.38Å; F540-F542 HydrophobicContact CB-CE2 3.43Å; F540-F542 VanDerWaalsContact CB-CE2 3.43Å; F540-F542 HydrophobicContact CB-CZ 3.85Å; F540-F542 HydrophobicContact CG-CE2 4.45Å; F540-F542 HydrophobicContact CG-CZ 4.48Å; F540-A553 PolarHBondContact N-O 3.46Å; F540-A553 PolarHBondContact O-N 3.04Å; F540-Y555 HydrophobicContact CD2-CE1 4.09Å; F540-Y555 HydrophobicContact CE2-CE1 4.47Å; F540-Y555 VanDerWaalsContact CE2-OH 3.25Å; F540-Y555 WeakPolarHBondContact CE2-OH 3.37Å |
| 541 | Y | 97.6 | Very high | 93.8 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 29% | 0.286 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 139.5 | 177.7 | -58.4 | -69.4 | 0 | 0 | 0 | 110 | R493 T494 H495 I497 T539 I551 E552 | R493-Y541 WeakPolarHBondContact CA-O 3.35Å; T494-Y541 PolarHBondContact N-O 3.07Å; T494-Y541 WeakPolarHBondContact OG1-CB 3.25Å; H495-Y541 WeakPolarHBondContact O-CD2 3.31Å; I497-Y541 HydrophobicContact CB-CD1 4.38Å; I497-Y541 HydrophobicContact CD1-CD1 3.94Å; I497-Y541 HydrophobicContact CD1-CE1 4.07Å; I497-Y541 HydrophobicContact CG1-CD1 3.85Å; I497-Y541 HydrophobicContact CG1-CE1 4.01Å; I497-Y541 HydrophobicContact CG2-CD1 3.78Å; I497-Y541 HydrophobicContact CG2-CG 4.2Å; T539-Y541 HydrophobicContact CG2-CD1 4.47Å; T539-Y541 HydrophobicContact CG2-CE1 3.82Å; T539-Y541 HydrophobicContact CG2-CE2 3.98Å; Y541-I551 WeakPolarHBondContact CA-O 3.29Å; Y541-E552 HydrophobicContact CD1-CB 4.36Å; Y541-E552 HydrophobicContact CD1-CG 4.13Å; Y541-E552 HydrophobicContact CE1-CB 4.39Å; Y541-E552 HydrophobicContact CE1-CG 3.75Å |
| 542 | F | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 154.8 | 177.8 | -57.9 | -93.4 | 0 | 0 | 0 | 111.4 | H491 Q492 R493 L525 P526 V528 F540 Q550 I551 | H491-F542 HydrophobicContact CB-CB 4.15Å; H491-F542 HydrophobicContact CB-CD1 4.48Å; Q492-F542 CarbonylContact O-C 3.57Å; Q492-F542 WeakPolarHBondContact O-CA 3.46Å; Q492-F542 WeakPolarHBondContact O-CB 3.47Å; R493-F542 HydrophobicContact CB-CD1 4.08Å; R493-F542 HydrophobicContact CB-CE1 3.86Å; R493-F542 HydrophobicContact CG-CE1 4.3Å; L525-F542 HydrophobicContact CB-CE1 4.34Å; L525-F542 HydrophobicContact CB-CZ 4.15Å; L525-F542 HydrophobicContact CD1-CD2 4.08Å; L525-F542 HydrophobicContact CD1-CE2 3.69Å; L525-F542 HydrophobicContact CD1-CZ 4.14Å; L525-F542 HydrophobicContact CD2-CD1 4.25Å; L525-F542 HydrophobicContact CD2-CD2 4.16Å; L525-F542 HydrophobicContact CD2-CE1 4.46Å; L525-F542 HydrophobicContact CD2-CE2 4.35Å; L525-F542 HydrophobicContact CD2-CG 4.13Å; L525-F542 HydrophobicContact CG-CE2 4.42Å; P526-F542 VanDerWaalsContact O-CE1 3.29Å; P526-F542 WeakPolarHBondContact O-CE1 3.3Å; V528-F542 HydrophobicContact CG2-CE1 4.42Å; V528-F542 HydrophobicContact CG2-CZ 3.79Å; F540-F542 HydrophobicContact CB-CD2 4.38Å; F540-F542 HydrophobicContact CB-CE2 3.43Å; F540-F542 VanDerWaalsContact CB-CE2 3.43Å; F540-F542 HydrophobicContact CB-CZ 3.85Å; F540-F542 HydrophobicContact CG-CE2 4.45Å; F540-F542 HydrophobicContact CG-CZ 4.48Å; F542-Q550 CarbonylContact O-C 3.5Å; F542-Q550 WeakPolarHBondContact O-CA 3.48Å; F542-I551 HydrophobicContact CB-CB 4.25Å; F542-I551 PolarHBondContact N-O 3.42Å; F542-I551 PolarHBondContact O-N 3.2Å |
| 543 | H | 95.3 | Very high | 94.4 | Very high | 29 Ų | 29 | 35 Ų | 35 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.7 | 166.7 | 78.2 | 103.7 | 0 | 0 | 0 | 110.2 | Q386 H491 Q492 T494 T549 | Q386-H543 PolarHBondContact NE2-CE1 3.11Å; H491-H543 WeakPolarHBondContact CA-O 3.36Å; Q492-H543 PolarHBondContact N-O 3.1Å; Q492-H543 PolarHBondContact O-CD2 2.78Å; Q492-H543 VanDerWaalsContact O-CD2 3.28Å; Q492-H543 PolarHBondContact O-N 2.86Å; Q492-H543 PolarHBondContact OE1-NE2 2.98Å; T494-H543 HydrophobicContact CG2-CB 4.01Å; T494-H543 WeakPolarHBondContact CG2-CD2 3.45Å; H543-T549 CarbonylContact C-O 3.58Å; H543-T549 WeakPolarHBondContact CA-O 3.43Å |
| 544 | N | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 124.2 | 171.2 | -171.6 | -79.2 | 0 | 0 | 0 | 109 | E459 L490 H491 F546 L547 G548 T549 | E459-N544 PolarHBondContact OE1-ND2 2.99Å; E459-N544 PolarHBondContact OE2-ND2 2.83Å; L490-N544 WeakPolarHBondContact O-CA 3.28Å; H491-N544 PolarHBondContact CE1-ND2 2.85Å; H491-N544 VanDerWaalsContact CE1-ND2 3.27Å; N544-F546 VanDerWaalsContact C-N 3.25Å; N544-F546 PolarHBondContact O-N 2.87Å; N544-F546 WeakPolarHBondContact OD1-CA 3.22Å; N544-F546 WeakPolarHBondContact OD1-CB 3.25Å; N544-F546 PolarHBondContact OD1-N 2.88Å; N544-L547 PolarHBondContact OD1-N 2.97Å; N544-G548 VanDerWaalsContact O-CA 3.25Å; N544-G548 WeakPolarHBondContact O-CA 3.29Å; N544-G548 PolarHBondContact O-N 3.36Å; N544-T549 WeakPolarHBondContact CB-OG1 3.49Å; N544-T549 PolarHBondContact N-O 3.49Å |
| 545 | T | 93.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.9 | -177.1 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | L384 Q386 L490 Q492 | L384-T545 HydrophobicContact CD2-CG2 3.7Å; L384-T545 HydrophobicContact CG-CG2 4.24Å; Q386-T545 HydrophobicContact CB-CG2 4.48Å; Q386-T545 HydrophobicContact CG-CG2 4.27Å; L490-T545 PolarHBondContact O-N 2.89Å; L490-T545 PolarHBondContact O-OG1 3.38Å; Q492-T545 HydrophobicContact CB-CG2 3.79Å |
| 546 | F | 93.1 | Very high | 96 | Very high | 19 Ų | 19 | 29.5 Ų | 29.5 | 8% | 0.083 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -51 | -178.6 | -171 | -108.4 | 0 | 0 | 0 | 113.1 | A389 L490 N544 K609 R666 L667 M670 | A389-F546 HydrophobicContact CB-CB 3.7Å; A389-F546 HydrophobicContact CB-CD2 3.78Å; A389-F546 HydrophobicContact CB-CG 4.2Å; L490-F546 HydrophobicContact CD1-CB 4.3Å; N544-F546 VanDerWaalsContact C-N 3.25Å; N544-F546 PolarHBondContact O-N 2.87Å; N544-F546 WeakPolarHBondContact OD1-CA 3.22Å; N544-F546 WeakPolarHBondContact OD1-CB 3.25Å; N544-F546 PolarHBondContact OD1-N 2.88Å; F546-K609 WeakPolarHBondContact O-CE 3.49Å; F546-K609 PolarHBondContact O-NZ 2.9Å; F546-R666 HydrophobicContact CE1-CG 4.23Å; F546-R666 HydrophobicContact CZ-CG 4.14Å; F546-L667 HydrophobicContact CE1-CD2 3.65Å; F546-L667 HydrophobicContact CE1-CG 4.35Å; F546-L667 HydrophobicContact CZ-CD2 3.86Å; F546-L667 HydrophobicContact CZ-CG 4.2Å; F546-M670 HydrophobicContact CD1-CE 3.4Å; F546-M670 HydrophobicContact CD1-SD 3.34Å; F546-M670 WeakPolarHBondContact CD1-SD 3.34Å; F546-M670 HydrophobicContact CE1-CE 3.74Å; F546-M670 HydrophobicContact CE1-SD 3.38Å; F546-M670 WeakPolarHBondContact CE1-SD 3.31Å; F546-M670 HydrophobicContact CG-CE 4.16Å |
| 547 | L | 92.3 | Very high | 96.3 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -24.8 | -175.3 | -62.6 | -177.6 | 0 | 0 | 0 | 113.4 | N544 T549 M605 I606 M670 | N544-L547 PolarHBondContact OD1-N 2.97Å; L547-T549 VanDerWaalsContact C-N 3.29Å; L547-T549 HydrophobicContact CB-CG2 3.99Å; L547-M605 VanDerWaalsContact O-CE 3.24Å; L547-M605 WeakPolarHBondContact O-CE 3.44Å; L547-I606 HydrophobicContact CD2-CD1 4.4Å; L547-I606 HydrophobicContact CD2-CG1 3.76Å; L547-M670 HydrophobicContact CD1-SD 4.11Å; L547-M670 HydrophobicContact CD2-SD 3.91Å; L547-M670 HydrophobicContact CG-SD 4.09Å |
| 548 | G | 93.7 | Very high | 96.4 | Very high | 27 Ų | 27 | 26.4 Ų | 26.4 | 28% | 0.278 | 14% | 0.14 | S | C | . | . | trans | 79.5 | 7.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R501 N544 | R501-G548 PolarHBondContact NH1-O 3.43Å; N544-G548 VanDerWaalsContact O-CA 3.25Å; N544-G548 WeakPolarHBondContact O-CA 3.29Å; N544-G548 PolarHBondContact O-N 3.36Å | ||
| 549 | T | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -66.8 | 156.9 | 172.6 | 54 | 0 | 0 | 0 | 0 | 110.5 | H543 N544 L547 D565 N566 M605 | H543-T549 CarbonylContact C-O 3.58Å; H543-T549 WeakPolarHBondContact CA-O 3.43Å; N544-T549 WeakPolarHBondContact CB-OG1 3.49Å; N544-T549 PolarHBondContact N-O 3.49Å; L547-T549 VanDerWaalsContact C-N 3.29Å; L547-T549 HydrophobicContact CB-CG2 3.99Å; T549-D565 VanDerWaalsContact CA-OD1 3.29Å; T549-D565 WeakPolarHBondContact CA-OD1 3.23Å; T549-D565 WeakPolarHBondContact CA-OD2 3.31Å; T549-D565 WeakPolarHBondContact CB-OD1 3.19Å; T549-N566 HydrophobicContact CG2-CB 3.89Å; T549-M605 HydrophobicContact CG2-SD 4.07Å | ||
| 550 | Q | 97.5 | Very high | 96.5 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 12% | 0.117 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.3 | -171.2 | -69.7 | 172.7 | -14.6 | 0 | 0 | 112.5 | I497 F542 S564 D565 | I497-Q550 HydrophobicContact CB-CB 4.36Å; I497-Q550 HydrophobicContact CB-CG 4.49Å; I497-Q550 HydrophobicContact CG2-CB 4.02Å; I497-Q550 HydrophobicContact CG2-CG 4.24Å; F542-Q550 CarbonylContact O-C 3.5Å; F542-Q550 WeakPolarHBondContact O-CA 3.48Å; Q550-S564 VanDerWaalsContact O-CA 3.22Å; Q550-S564 WeakPolarHBondContact O-CA 3.38Å; Q550-S564 VanDerWaalsContact O-CB 3.28Å; Q550-S564 WeakPolarHBondContact O-CB 3.34Å; Q550-S564 PolarHBondContact O-OG 3.25Å; Q550-D565 PolarHBondContact N-OD1 2.97Å; Q550-D565 PolarHBondContact N-OD2 2.82Å |
| 551 | I | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134 | 171.8 | -52.6 | 178.1 | 0 | 0 | 0 | 110.2 | L488 H491 L525 Y541 F542 K563 T569 | L488-I551 HydrophobicContact CD1-CD1 3.66Å; H491-I551 WeakPolarHBondContact CD2-CD1 3.09Å; H491-I551 VanDerWaalsContact NE2-CD1 3.29Å; H491-I551 WeakPolarHBondContact NE2-CD1 3.2Å; L525-I551 HydrophobicContact CD2-CD1 4.17Å; Y541-I551 WeakPolarHBondContact CA-O 3.29Å; F542-I551 HydrophobicContact CB-CB 4.25Å; F542-I551 PolarHBondContact N-O 3.42Å; F542-I551 PolarHBondContact O-N 3.2Å; I551-K563 CarbonylContact C-O 3.53Å; I551-K563 VanDerWaalsContact CA-O 3.25Å; I551-K563 WeakPolarHBondContact CA-O 3.38Å; I551-T569 HydrophobicContact CD1-CG2 3.26Å; I551-T569 HydrophobicContact CG1-CG2 3.72Å |
| 552 | E | 98.1 | Very high | 96.6 | Very high | 31 Ų | 31 | 25.4 Ų | 25.4 | 15% | 0.145 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.2 | 159.4 | -172.7 | -171.3 | 142.9 | 0 | 0 | 108.9 | I497 T539 Y541 T554 F562 K563 | I497-E552 HydrophobicContact CD1-CB 3.75Å; I497-E552 HydrophobicContact CD1-CG 4.37Å; T539-E552 HydrophobicContact CG2-CG 4.12Å; Y541-E552 HydrophobicContact CD1-CB 4.36Å; Y541-E552 HydrophobicContact CD1-CG 4.13Å; Y541-E552 HydrophobicContact CE1-CB 4.39Å; Y541-E552 HydrophobicContact CE1-CG 3.75Å; E552-T554 PolarHBondContact OE1-OG1 3.16Å; E552-T554 VanDerWaalsContact OE1-OG1 3.11Å; E552-F562 CarbonylContact O-C 3.55Å; E552-F562 VanDerWaalsContact O-CA 3.29Å; E552-F562 WeakPolarHBondContact O-CA 3.2Å; E552-K563 HydrophobicContact CB-CB 4.13Å; E552-K563 VanDerWaalsContact CD-NZ 3.32Å; E552-K563 PolarHBondContact N-O 2.79Å; E552-K563 PolarHBondContact O-N 3.08Å; E552-K563 IonicContact OE1-NZ 2.76Å; E552-K563 PolarHBondContact OE1-NZ 2.89Å; E552-K563 VanDerWaalsContact OE1-NZ 3.1Å; E552-K563 WeakPolarHBondContact OE2-CD 3.29Å; E552-K563 IonicContact OE2-NZ 3.69Å; E552-K563 PolarHBondContact OE2-NZ 2.97Å |
| 553 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 102 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T539 F540 F562 | T539-A553 CarbonylContact C-O 3.57Å; T539-A553 WeakPolarHBondContact CA-O 3.43Å; F540-A553 PolarHBondContact N-O 3.46Å; F540-A553 PolarHBondContact O-N 3.04Å; A553-F562 HydrophobicContact CB-CD1 3.73Å; A553-F562 HydrophobicContact CB-CE1 3.86Å |
| 554 | T | 98.1 | Very high | 96.8 | Very high | 28 Ų | 28 | 27 Ų | 27 | 17% | 0.172 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.6 | 179.2 | -64 | 0 | 0 | 0 | 0 | 109.4 | V538 T539 E552 H561 | V538-T554 WeakPolarHBondContact O-CA 3.46Å; T539-T554 VanDerWaalsContact CG2-OG1 3.26Å; T539-T554 WeakPolarHBondContact CG2-OG1 3.49Å; T539-T554 WeakPolarHBondContact OG1-CG2 3.19Å; T539-T554 PolarHBondContact OG1-OG1 3.49Å; E552-T554 PolarHBondContact OE1-OG1 3.16Å; E552-T554 VanDerWaalsContact OE1-OG1 3.11Å; T554-H561 PolarHBondContact N-O 3.34Å; T554-H561 PolarHBondContact O-N 2.91Å; T554-H561 VanDerWaalsContact O-O 3.08Å |
| 555 | Y | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 157.6 | -177 | 55.6 | -87.5 | 0 | 0 | 0 | 112.9 | F514 I517 H518 V521 S537 V538 F540 E559 | F514-Y555 HydrophobicContact CD2-CD2 4.12Å; F514-Y555 HydrophobicContact CD2-CE2 4.35Å; F514-Y555 AromaticContact CE2-CD2 3.67Å; F514-Y555 HydrophobicContact CE2-CD2 3.67Å; F514-Y555 AromaticContact CE2-CE2 3.69Å; F514-Y555 HydrophobicContact CE2-CE2 3.69Å; F514-Y555 HydrophobicContact CZ-CE2 4.45Å; I517-Y555 HydrophobicContact CB-CD2 4.49Å; I517-Y555 HydrophobicContact CG1-CD2 4.06Å; I517-Y555 HydrophobicContact CG1-CG 4.12Å; I517-Y555 HydrophobicContact CG2-CD2 3.72Å; I517-Y555 HydrophobicContact CG2-CE2 4.4Å; I517-Y555 HydrophobicContact CG2-CG 4.5Å; H518-Y555 HydrophobicContact CB-CE2 3.97Å; H518-Y555 AromaticContact ND1-CE2 3.99Å; H518-Y555 AromaticContact ND1-CZ 3.87Å; H518-Y555 PolarHBondContact ND1-OH 3.19Å; V521-Y555 HydrophobicContact CB-CE1 4.16Å; V521-Y555 HydrophobicContact CG1-CE1 3.89Å; V521-Y555 HydrophobicContact CG2-CD1 4.04Å; V521-Y555 HydrophobicContact CG2-CE1 3.75Å; S537-Y555 VanDerWaalsContact CA-O 3.24Å; S537-Y555 WeakPolarHBondContact CA-O 3.39Å; S537-Y555 PolarHBondContact OG-O 3.35Å; V538-Y555 HydrophobicContact CG1-CD1 4.2Å; V538-Y555 HydrophobicContact CG1-CD2 3.87Å; V538-Y555 HydrophobicContact CG1-CE1 3.65Å; V538-Y555 HydrophobicContact CG1-CE2 3.28Å; V538-Y555 HydrophobicContact CG1-CG 4.31Å; V538-Y555 WeakPolarHBondContact CG1-OH 3.36Å; V538-Y555 PolarHBondContact N-O 3.5Å; V538-Y555 PolarHBondContact O-N 2.73Å; F540-Y555 HydrophobicContact CD2-CE1 4.09Å; F540-Y555 HydrophobicContact CE2-CE1 4.47Å; F540-Y555 VanDerWaalsContact CE2-OH 3.25Å; F540-Y555 WeakPolarHBondContact CE2-OH 3.37Å; Y555-E559 WeakPolarHBondContact CA-O 3.19Å |
| 556 | C | 97.8 | Very high | 97 | Very high | 33 Ų | 33 | 26.5 Ų | 26.5 | 22% | 0.223 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | -171.6 | 177.9 | 69.7 | 0 | 0 | 0 | 0 | 109.5 | E536 G558 E559 | E536-C556 WeakPolarHBondContact O-CA 3.41Å; E536-C556 WeakPolarHBondContact O-CB 3.44Å; C556-G558 PolarHBondContact O-N 3.05Å; C556-E559 PolarHBondContact N-O 3.42Å |
| 557 | K | 97.3 | Very high | 97.2 | Very high | 161 Ų | 161 | 25.6 Ų | 25.6 | 70% | 0.7 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 119.1 | 174 | -179.4 | -179.5 | 175.8 | -176.7 | 0 | 110.8 | F514 E559 | F514-K557 HydrophobicContact CB-CB 4.42Å; K557-E559 VanDerWaalsContact C-N 3.28Å; K557-E559 PolarHBondContact O-N 3.25Å |
| 558 | G | 96.8 | Very high | 97.4 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 12% | 0.124 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -8.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V509 G510 F512 C556 | V509-G558 WeakPolarHBondContact CA-O 3.41Å; G510-G558 PolarHBondContact N-O 2.89Å; G510-G558 WeakPolarHBondContact O-CA 3.5Å; F512-G558 VanDerWaalsContact CE2-C 3.47Å; F512-G558 WeakPolarHBondContact CZ-O 3.42Å; F512-G558 PolarHBondContact O-N 3.36Å; F512-G558 VanDerWaalsContact O-N 3.08Å; C556-G558 PolarHBondContact O-N 3.05Å |
| 559 | E | 97.8 | Very high | 97.5 | Very high | 93 Ų | 93 | 24.5 Ų | 24.5 | 44% | 0.435 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.1 | 180 | -58.6 | -175.7 | 173.1 | 0 | 0 | 111.9 | L508 V509 F512 Y555 C556 K557 | L508-E559 CarbonylContact O-C 3.56Å; L508-E559 WeakPolarHBondContact O-CA 3.25Å; V509-E559 HydrophobicContact CG2-CG 4.42Å; F512-E559 VanDerWaalsContact CZ-N 3.33Å; Y555-E559 WeakPolarHBondContact CA-O 3.19Å; C556-E559 PolarHBondContact N-O 3.42Å; K557-E559 VanDerWaalsContact C-N 3.28Å; K557-E559 PolarHBondContact O-N 3.25Å |
| 560 | G | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 132.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S507 L508 | S507-G560 CarbonylContact C-O 3.46Å; S507-G560 WeakPolarHBondContact CA-O 3.4Å; L508-G560 PolarHBondContact N-O 2.89Å; L508-G560 PolarHBondContact O-N 3.43Å |
| 561 | H | 98.1 | Very high | 97.6 | Very high | 44 Ų | 44 | 23.4 Ų | 23.4 | 20% | 0.204 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.2 | 179.6 | -60.7 | -57.5 | 0 | 0 | 0 | 110 | R505 L506 S507 T554 | R505-H561 PolarHBondContact NH2-CE1 3Å; R505-H561 VanDerWaalsContact NH2-CE1 3.29Å; R505-H561 PolarHBondContact NH2-ND1 3.19Å; L506-H561 WeakPolarHBondContact O-CA 3.46Å; S507-H561 WeakPolarHBondContact CB-ND1 3.43Å; S507-H561 PolarHBondContact OG-ND1 3.27Å; T554-H561 PolarHBondContact N-O 3.34Å; T554-H561 PolarHBondContact O-N 2.91Å; T554-H561 VanDerWaalsContact O-O 3.08Å |
| 562 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.5 | 177.7 | -54.1 | -90.1 | 0 | 0 | 0 | 108.4 | R505 L506 L508 I517 V521 E552 A553 I570 L573 L577 | R505-F562 CarbonylContact C-O 3.57Å; R505-F562 WeakPolarHBondContact CA-O 3.45Å; L506-F562 HydrophobicContact CB-CB 4.29Å; L506-F562 HydrophobicContact CD2-CD2 4.26Å; L506-F562 PolarHBondContact N-O 3.12Å; L506-F562 PolarHBondContact O-N 2.71Å; L508-F562 HydrophobicContact CD1-CD2 4.43Å; L508-F562 HydrophobicContact CD1-CE2 3.75Å; L508-F562 HydrophobicContact CG-CE2 4.4Å; I517-F562 HydrophobicContact CD1-CZ 4.44Å; V521-F562 HydrophobicContact CG2-CE1 3.92Å; V521-F562 HydrophobicContact CG2-CZ 3.96Å; E552-F562 CarbonylContact O-C 3.55Å; E552-F562 VanDerWaalsContact O-CA 3.29Å; E552-F562 WeakPolarHBondContact O-CA 3.2Å; A553-F562 HydrophobicContact CB-CD1 3.73Å; A553-F562 HydrophobicContact CB-CE1 3.86Å; F562-I570 HydrophobicContact CB-CD1 4.46Å; F562-L573 HydrophobicContact CB-CD1 3.92Å; F562-L573 HydrophobicContact CD1-CD1 4.04Å; F562-L573 HydrophobicContact CG-CD1 4.06Å; F562-L577 HydrophobicContact CD2-CD1 4.22Å; F562-L577 HydrophobicContact CE1-CD1 4.49Å; F562-L577 HydrophobicContact CE2-CD1 3.66Å; F562-L577 HydrophobicContact CZ-CD1 3.81Å |
| 563 | K | 97.9 | Very high | 97.6 | Very high | 63 Ų | 63 | 23.1 Ų | 23.1 | 27% | 0.274 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.2 | 174.8 | -53.3 | -177.5 | -158.9 | 141.3 | 0 | 109.9 | M503 N504 R505 I551 E552 | M503-K563 HydrophobicContact CB-CB 4.3Å; N504-K563 CarbonylContact O-C 3.54Å; N504-K563 WeakPolarHBondContact O-CA 3.38Å; R505-K563 HydrophobicContact CG-CG 4.38Å; I551-K563 CarbonylContact C-O 3.53Å; I551-K563 VanDerWaalsContact CA-O 3.25Å; I551-K563 WeakPolarHBondContact CA-O 3.38Å; E552-K563 HydrophobicContact CB-CB 4.13Å; E552-K563 VanDerWaalsContact CD-NZ 3.32Å; E552-K563 PolarHBondContact N-O 2.79Å; E552-K563 PolarHBondContact O-N 3.08Å; E552-K563 IonicContact OE1-NZ 2.76Å; E552-K563 PolarHBondContact OE1-NZ 2.89Å; E552-K563 VanDerWaalsContact OE1-NZ 3.1Å; E552-K563 WeakPolarHBondContact OE2-CD 3.29Å; E552-K563 IonicContact OE2-NZ 3.69Å; E552-K563 PolarHBondContact OE2-NZ 2.97Å |
| 564 | S | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 142.2 | 173.6 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | N504 Q550 N566 | N504-S564 WeakPolarHBondContact CB-O 3.34Å; N504-S564 PolarHBondContact N-O 3.25Å; N504-S564 PolarHBondContact ND2-O 2.92Å; N504-S564 VanDerWaalsContact ND2-O 3.16Å; N504-S564 PolarHBondContact O-N 2.83Å; Q550-S564 VanDerWaalsContact O-CA 3.22Å; Q550-S564 WeakPolarHBondContact O-CA 3.38Å; Q550-S564 VanDerWaalsContact O-CB 3.28Å; Q550-S564 WeakPolarHBondContact O-CB 3.34Å; Q550-S564 PolarHBondContact O-OG 3.25Å; S564-N566 PolarHBondContact O-N 3.35Å; S564-N566 PolarHBondContact OG-N 2.78Å; S564-N566 PolarHBondContact OG-O 2.55Å |
| 565 | D | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -70.8 | -8.7 | 170.5 | 58.6 | -5 | 0 | 0 | 0 | 112.7 | R501 M503 T549 Q550 H601 T602 | R501-D565 HydrophobicContact CB-CB 4.14Å; R501-D565 WeakPolarHBondContact CD-OD2 3.4Å; R501-D565 IonicContact CZ-OD2 2.75Å; R501-D565 IonicContact NE-OD2 2.91Å; R501-D565 IonicContact NH1-OD2 2.72Å; R501-D565 PolarHBondContact NH1-OD2 3.12Å; M503-D565 HydrophobicContact SD-CB 4.12Å; M503-D565 PolarHBondContact SD-N 3.14Å; M503-D565 VanDerWaalsContact SD-N 3.42Å; T549-D565 VanDerWaalsContact CA-OD1 3.29Å; T549-D565 WeakPolarHBondContact CA-OD1 3.23Å; T549-D565 WeakPolarHBondContact CA-OD2 3.31Å; T549-D565 WeakPolarHBondContact CB-OD1 3.19Å; Q550-D565 PolarHBondContact N-OD1 2.97Å; Q550-D565 PolarHBondContact N-OD2 2.82Å; D565-H601 IonicContact OD2-NE2 3.22Å; D565-T602 PolarHBondContact O-OG1 2.94Å |
| 566 | N | 97.2 | Very high | 97.3 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | trans | -109.9 | 120.5 | 174.2 | -172.7 | -4.5 | 0 | 0 | 0 | 112 | T549 S564 S568 T569 | T549-N566 HydrophobicContact CG2-CB 3.89Å; S564-N566 PolarHBondContact O-N 3.35Å; S564-N566 PolarHBondContact OG-N 2.78Å; S564-N566 PolarHBondContact OG-O 2.55Å; N566-S568 PolarHBondContact O-N 3.39Å; N566-S568 PolarHBondContact OD1-N 3.45Å; N566-T569 WeakPolarHBondContact O-CB 3.34Å; N566-T569 PolarHBondContact O-N 3.47Å | ||
| 567 | I | 96.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69 | -30 | 179.6 | -167.1 | 170.8 | 0 | 0 | 0 | 113.3 | T569 I570 S571 I594 V599 L674 F681 | I567-T569 VanDerWaalsContact C-N 3.34Å; I567-T569 PolarHBondContact O-N 2.81Å; I567-I570 PolarHBondContact O-N 3.16Å; I567-S571 PolarHBondContact O-N 3.35Å; I567-I594 HydrophobicContact CD1-CD1 4.14Å; I567-I594 HydrophobicContact CD1-CG1 4.4Å; I567-I594 HydrophobicContact CD1-CG2 3.57Å; I567-I594 HydrophobicContact CG1-CD1 4.22Å; I567-V599 HydrophobicContact CG2-CG2 4.12Å; I567-L674 HydrophobicContact CG2-CD1 3.46Å; I567-L674 VanDerWaalsContact CG2-CD1 3.46Å; I567-L674 HydrophobicContact CG2-CG 4.5Å; I567-F681 HydrophobicContact CD1-CD2 3.69Å; I567-F681 HydrophobicContact CD1-CE2 4.3Å; I567-F681 HydrophobicContact CD1-CG 4.45Å; I567-F681 HydrophobicContact CG1-CD2 3.67Å; I567-F681 HydrophobicContact CG1-CE2 3.76Å |
| 568 | S | 96.8 | Very high | 97.2 | Very high | 13 Ų | 13 | 20.4 Ų | 20.4 | 9% | 0.091 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 177.6 | -73.3 | 0 | 0 | 0 | 0 | 111.6 | N566 I570 S571 I572 L674 D677 | N566-S568 PolarHBondContact O-N 3.39Å; N566-S568 PolarHBondContact OD1-N 3.45Å; S568-I570 VanDerWaalsContact C-N 3.29Å; S568-I570 PolarHBondContact O-N 2.67Å; S568-S571 WeakPolarHBondContact O-CB 3.43Å; S568-S571 PolarHBondContact O-N 2.9Å; S568-S571 VanDerWaalsContact O-N 3.11Å; S568-I572 VanDerWaalsContact O-CG1 3.32Å; S568-I572 WeakPolarHBondContact O-CG1 3.44Å; S568-I572 PolarHBondContact O-N 3.35Å; S568-L674 WeakPolarHBondContact OG-CA 3.23Å; S568-L674 PolarHBondContact OG-N 3.48Å; S568-D677 VanDerWaalsContact CA-OD2 3.26Å; S568-D677 WeakPolarHBondContact CA-OD2 3.37Å; S568-D677 VanDerWaalsContact CB-OD2 3.22Å; S568-D677 WeakPolarHBondContact CB-OD2 3.33Å; S568-D677 PolarHBondContact OG-OD2 3.39Å |
| 569 | T | 97.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.5 | -45.6 | 171.6 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | L488 I551 N566 I567 I572 L573 | L488-T569 HydrophobicContact CD1-CG2 3.96Å; L488-T569 HydrophobicContact CD2-CG2 4.05Å; I551-T569 HydrophobicContact CD1-CG2 3.26Å; I551-T569 HydrophobicContact CG1-CG2 3.72Å; N566-T569 WeakPolarHBondContact O-CB 3.34Å; N566-T569 PolarHBondContact O-N 3.47Å; I567-T569 VanDerWaalsContact C-N 3.34Å; I567-T569 PolarHBondContact O-N 2.81Å; T569-I572 PolarHBondContact O-N 2.82Å; T569-L573 HydrophobicContact CG2-CD1 4.31Å; T569-L573 WeakPolarHBondContact O-CG 3.46Å; T569-L573 PolarHBondContact O-N 3.3Å |
| 570 | I | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 177.3 | -62.9 | -58.2 | 0 | 0 | 0 | 111.5 | N504 L506 F562 I567 S568 R574 F681 | N504-I570 HydrophobicContact CB-CG1 3.94Å; L506-I570 HydrophobicContact CB-CD1 4.2Å; L506-I570 HydrophobicContact CB-CG2 3.83Å; F562-I570 HydrophobicContact CB-CD1 4.46Å; I567-I570 PolarHBondContact O-N 3.16Å; S568-I570 VanDerWaalsContact C-N 3.29Å; S568-I570 PolarHBondContact O-N 2.67Å; I570-R574 VanDerWaalsContact O-CB 3.3Å; I570-R574 WeakPolarHBondContact O-CB 3.22Å; I570-R574 PolarHBondContact O-N 3.19Å; I570-F681 HydrophobicContact CG2-CZ 3.87Å |
| 571 | S | 97.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 174.5 | -166.5 | 0 | 0 | 0 | 0 | 111.8 | I567 S568 R574 D575 D677 K680 | I567-S571 PolarHBondContact O-N 3.35Å; S568-S571 WeakPolarHBondContact O-CB 3.43Å; S568-S571 PolarHBondContact O-N 2.9Å; S568-S571 VanDerWaalsContact O-N 3.11Å; S571-R574 PolarHBondContact O-N 3.31Å; S571-D575 PolarHBondContact O-N 2.82Å; S571-D677 WeakPolarHBondContact CB-OD1 3.43Å; S571-D677 VanDerWaalsContact OG-CG 3.29Å; S571-D677 PolarHBondContact OG-OD1 2.85Å; S571-K680 PolarHBondContact OG-NZ 3.06Å; S571-K680 VanDerWaalsContact OG-NZ 3.08Å |
| 572 | I | 97.6 | Very high | 96.8 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 13% | 0.128 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.4 | -51.1 | 178.3 | -66.8 | 162.4 | 0 | 0 | 0 | 110.3 | E459 P487 L488 S568 T569 R574 D575 V576 | E459-I572 HydrophobicContact CB-CD1 4.12Å; P487-I572 HydrophobicContact CB-CG2 4.02Å; L488-I572 HydrophobicContact CD2-CB 4.11Å; L488-I572 HydrophobicContact CD2-CD1 4.08Å; L488-I572 HydrophobicContact CD2-CG2 3.81Å; L488-I572 HydrophobicContact CG-CG2 4.37Å; S568-I572 VanDerWaalsContact O-CG1 3.32Å; S568-I572 WeakPolarHBondContact O-CG1 3.44Å; S568-I572 PolarHBondContact O-N 3.35Å; T569-I572 PolarHBondContact O-N 2.82Å; I572-R574 VanDerWaalsContact C-N 3.34Å; I572-R574 PolarHBondContact O-N 3.08Å; I572-D575 PolarHBondContact O-N 2.92Å; I572-V576 HydrophobicContact CG2-CG2 4.3Å; I572-V576 WeakPolarHBondContact O-CG2 3.49Å; I572-V576 PolarHBondContact O-N 3.14Å |
| 573 | L | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 178.5 | -75.6 | 172.2 | 0 | 0 | 0 | 111.7 | L488 L506 C524 F562 T569 D575 V576 L577 | L488-L573 HydrophobicContact CD1-CD1 4.12Å; L488-L573 HydrophobicContact CD1-CD2 3.65Å; L488-L573 HydrophobicContact CD1-CG 3.79Å; L488-L573 HydrophobicContact CG-CD2 4.49Å; L506-L573 HydrophobicContact CD2-CB 3.88Å; C524-L573 HydrophobicContact CB-CD2 4.02Å; F562-L573 HydrophobicContact CB-CD1 3.92Å; F562-L573 HydrophobicContact CD1-CD1 4.04Å; F562-L573 HydrophobicContact CG-CD1 4.06Å; T569-L573 HydrophobicContact CG2-CD1 4.31Å; T569-L573 WeakPolarHBondContact O-CG 3.46Å; T569-L573 PolarHBondContact O-N 3.3Å; L573-D575 VanDerWaalsContact C-N 3.34Å; L573-D575 PolarHBondContact O-N 3.27Å; L573-V576 PolarHBondContact O-N 3.04Å; L573-L577 HydrophobicContact CB-CD1 4.2Å; L573-L577 HydrophobicContact CD2-CD1 4.29Å; L573-L577 WeakPolarHBondContact O-CB 3.27Å; L573-L577 WeakPolarHBondContact O-CG 3.22Å; L573-L577 PolarHBondContact O-N 3.47Å |
| 574 | R | 96.6 | Very high | 96.4 | Very high | 72 Ų | 72 | 34 Ų | 34 | 27% | 0.272 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -54.9 | -51.8 | 177.2 | 179.7 | -159.9 | 170.5 | -163.4 | -3.7 | 110.8 | L506 I570 S571 I572 S578 I590 | L506-R574 HydrophobicContact CD1-CB 4.2Å; L506-R574 HydrophobicContact CD1-CG 4.41Å; L506-R574 HydrophobicContact CD2-CB 4.18Å; I570-R574 VanDerWaalsContact O-CB 3.3Å; I570-R574 WeakPolarHBondContact O-CB 3.22Å; I570-R574 PolarHBondContact O-N 3.19Å; S571-R574 PolarHBondContact O-N 3.31Å; I572-R574 VanDerWaalsContact C-N 3.34Å; I572-R574 PolarHBondContact O-N 3.08Å; R574-S578 WeakPolarHBondContact O-CB 3.36Å; R574-S578 PolarHBondContact O-N 3.24Å; R574-S578 PolarHBondContact O-OG 3.24Å; R574-I590 HydrophobicContact CG-CG2 4.27Å |
| 575 | D | 95.9 | Very high | 96.2 | Very high | 57 Ų | 57 | 43 Ų | 43 | 31% | 0.305 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66 | -44.2 | -175.4 | -75.6 | 2.3 | 0 | 0 | 0 | 111.6 | S571 I572 L573 K579 K680 | S571-D575 PolarHBondContact O-N 2.82Å; I572-D575 PolarHBondContact O-N 2.92Å; L573-D575 VanDerWaalsContact C-N 3.34Å; L573-D575 PolarHBondContact O-N 3.27Å; D575-K579 VanDerWaalsContact O-CG 3.26Å; D575-K579 WeakPolarHBondContact O-CG 3.46Å; D575-K579 PolarHBondContact O-N 2.86Å; D575-K579 VanDerWaalsContact O-N 3.1Å; D575-K680 IonicContact OD1-NZ 3.64Å; D575-K680 PolarHBondContact OD1-NZ 3.19Å; D575-K680 IonicContact OD2-NZ 3.59Å; D575-K680 PolarHBondContact OD2-NZ 3.31Å |
| 576 | V | 96.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.4 | -47.5 | -178 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | Y462 P487 F523 C524 I572 L573 S578 K579 E580 | Y462-V576 HydrophobicContact CD1-CG2 4.3Å; Y462-V576 HydrophobicContact CE1-CG2 3.68Å; P487-V576 HydrophobicContact CB-CG2 3.98Å; P487-V576 HydrophobicContact CG-CG1 4Å; P487-V576 HydrophobicContact CG-CG2 4.09Å; F523-V576 HydrophobicContact CD1-CG1 3.9Å; F523-V576 HydrophobicContact CE1-CG1 3.8Å; C524-V576 VanDerWaalsContact SG-CG1 3.55Å; I572-V576 HydrophobicContact CG2-CG2 4.3Å; I572-V576 WeakPolarHBondContact O-CG2 3.49Å; I572-V576 PolarHBondContact O-N 3.14Å; L573-V576 PolarHBondContact O-N 3.04Å; V576-S578 VanDerWaalsContact C-N 3.29Å; V576-S578 PolarHBondContact O-N 3.41Å; V576-K579 WeakPolarHBondContact O-CB 3.32Å; V576-K579 PolarHBondContact O-N 2.89Å; V576-K579 VanDerWaalsContact O-N 3.08Å; V576-E580 HydrophobicContact CG1-CG 4.49Å; V576-E580 PolarHBondContact O-N 2.95Å |
| 577 | L | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -35.7 | -179.9 | -62.8 | 172.4 | 0 | 0 | 0 | 111.2 | L508 W520 F562 L573 K579 E580 A581 | L508-L577 HydrophobicContact CD1-CB 3.95Å; L508-L577 HydrophobicContact CD1-CD1 3.52Å; L508-L577 HydrophobicContact CD1-CG 4.29Å; W520-L577 HydrophobicContact CB-CD2 3.59Å; W520-L577 HydrophobicContact CE3-CD2 4.48Å; W520-L577 HydrophobicContact CG-CD2 4.48Å; F562-L577 HydrophobicContact CD2-CD1 4.22Å; F562-L577 HydrophobicContact CE1-CD1 4.49Å; F562-L577 HydrophobicContact CE2-CD1 3.66Å; F562-L577 HydrophobicContact CZ-CD1 3.81Å; L573-L577 HydrophobicContact CB-CD1 4.2Å; L573-L577 HydrophobicContact CD2-CD1 4.29Å; L573-L577 WeakPolarHBondContact O-CB 3.27Å; L573-L577 WeakPolarHBondContact O-CG 3.22Å; L573-L577 PolarHBondContact O-N 3.47Å; L577-K579 PolarHBondContact O-N 3.08Å; L577-E580 PolarHBondContact O-N 3.36Å; L577-A581 WeakPolarHBondContact O-CB 3.49Å; L577-A581 PolarHBondContact O-N 2.81Å |
| 578 | S | 95.8 | Very high | 95.9 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 171.4 | -59.5 | 0 | 0 | 0 | 0 | 112 | R574 V576 T582 I590 | R574-S578 WeakPolarHBondContact O-CB 3.36Å; R574-S578 PolarHBondContact O-N 3.24Å; R574-S578 PolarHBondContact O-OG 3.24Å; V576-S578 VanDerWaalsContact C-N 3.29Å; V576-S578 PolarHBondContact O-N 3.41Å; S578-T582 WeakPolarHBondContact O-CB 3.34Å; S578-T582 PolarHBondContact O-N 3.47Å; S578-T582 PolarHBondContact O-OG1 2.91Å; S578-I590 WeakPolarHBondContact OG-CD1 3.43Å |
| 579 | K | 95.8 | Very high | 95.9 | Very high | 106 Ų | 106 | 57 Ų | 57 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 176.6 | -74 | 169.4 | -175.9 | 175 | 0 | 111.4 | D575 V576 L577 T582 K583 | D575-K579 VanDerWaalsContact O-CG 3.26Å; D575-K579 WeakPolarHBondContact O-CG 3.46Å; D575-K579 PolarHBondContact O-N 2.86Å; D575-K579 VanDerWaalsContact O-N 3.1Å; V576-K579 WeakPolarHBondContact O-CB 3.32Å; V576-K579 PolarHBondContact O-N 2.89Å; V576-K579 VanDerWaalsContact O-N 3.08Å; L577-K579 PolarHBondContact O-N 3.08Å; K579-T582 PolarHBondContact O-N 3.41Å; K579-K583 WeakPolarHBondContact O-CG 3.43Å; K579-K583 PolarHBondContact O-N 3.37Å |
| 580 | E | 95.4 | Very high | 95.8 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 178.8 | -72.1 | -52.7 | 120.5 | 0 | 0 | 112.3 | W520 F523 V576 L577 T582 K583 K584 | W520-E580 HydrophobicContact CD2-CB 4.29Å; W520-E580 HydrophobicContact CG-CB 4Å; F523-E580 HydrophobicContact CD1-CG 4.28Å; V576-E580 HydrophobicContact CG1-CG 4.49Å; V576-E580 PolarHBondContact O-N 2.95Å; L577-E580 PolarHBondContact O-N 3.36Å; E580-T582 VanDerWaalsContact C-N 3.35Å; E580-T582 PolarHBondContact O-N 3.23Å; E580-K583 WeakPolarHBondContact O-CB 3.46Å; E580-K583 PolarHBondContact O-N 3Å; E580-K583 WeakPolarHBondContact OE1-CE 3.31Å; E580-K583 IonicContact OE1-NZ 2.96Å; E580-K583 PolarHBondContact OE1-NZ 3.34Å; E580-K584 PolarHBondContact O-N 2.87Å |
| 581 | A | 94.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W520 L577 K583 K584 K585 I586 L588 | W520-A581 HydrophobicContact CH2-CB 3.81Å; W520-A581 HydrophobicContact CZ2-CB 4.17Å; W520-A581 HydrophobicContact CZ3-CB 4.3Å; L577-A581 WeakPolarHBondContact O-CB 3.49Å; L577-A581 PolarHBondContact O-N 2.81Å; A581-K583 PolarHBondContact O-N 2.89Å; A581-K584 CarbonylContact O-C 3.59Å; A581-K584 PolarHBondContact O-N 3.47Å; A581-K584 VanDerWaalsContact O-N 3.12Å; A581-K585 PolarHBondContact O-N 2.9Å; A581-I586 HydrophobicContact CB-CB 4.3Å; A581-I586 PolarHBondContact O-N 2.72Å; A581-L588 HydrophobicContact CB-CD1 3.32Å; A581-L588 HydrophobicContact CB-CD2 4.37Å; A581-L588 HydrophobicContact CB-CG 3.56Å |
| 582 | T | 95.3 | Very high | 95.6 | Very high | 103 Ų | 103 | 66.8 Ų | 66.8 | 63% | 0.632 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | S578 K579 E580 K584 K585 | S578-T582 WeakPolarHBondContact O-CB 3.34Å; S578-T582 PolarHBondContact O-N 3.47Å; S578-T582 PolarHBondContact O-OG1 2.91Å; K579-T582 PolarHBondContact O-N 3.41Å; E580-T582 VanDerWaalsContact C-N 3.35Å; E580-T582 PolarHBondContact O-N 3.23Å; T582-K584 PolarHBondContact O-N 3.31Å; T582-K585 PolarHBondContact O-N 2.88Å |
| 583 | K | 94.9 | Very high | 95.5 | Very high | 136 Ų | 136 | 70.9 Ų | 70.9 | 59% | 0.591 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -57.6 | -35.8 | 174.5 | -74 | 174.4 | -177.3 | 173.6 | 0 | 112.1 | K579 E580 A581 | K579-K583 WeakPolarHBondContact O-CG 3.43Å; K579-K583 PolarHBondContact O-N 3.37Å; E580-K583 WeakPolarHBondContact O-CB 3.46Å; E580-K583 PolarHBondContact O-N 3Å; E580-K583 WeakPolarHBondContact OE1-CE 3.31Å; E580-K583 IonicContact OE1-NZ 2.96Å; E580-K583 PolarHBondContact OE1-NZ 3.34Å; A581-K583 PolarHBondContact O-N 2.89Å |
| 584 | K | 93.8 | Very high | 95.4 | Very high | 127 Ų | 127 | 72.9 Ų | 72.9 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 1.2 | 177.5 | -64.8 | -70.1 | -175.3 | 171.8 | 0 | 114 | E580 A581 T582 I586 | E580-K584 PolarHBondContact O-N 2.87Å; A581-K584 CarbonylContact O-C 3.59Å; A581-K584 PolarHBondContact O-N 3.47Å; A581-K584 VanDerWaalsContact O-N 3.12Å; T582-K584 PolarHBondContact O-N 3.31Å; K584-I586 HydrophobicContact CB-CD1 3.78Å; K584-I586 HydrophobicContact CB-CG1 4.13Å; K584-I586 PolarHBondContact O-N 2.89Å |
| 585 | K | 94.9 | Very high | 95.3 | Very high | 190 Ų | 190 | 72 Ų | 72 | 83% | 0.826 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 33.4 | -175.7 | -54.6 | 177.8 | 178.8 | 177.4 | 0 | 113.3 | A581 T582 | A581-K585 PolarHBondContact O-N 2.9Å; T582-K585 PolarHBondContact O-N 2.88Å |
| 586 | I | 94.7 | Very high | 95 | Very high | 21 Ų | 21 | 74.7 Ų | 74.7 | 11% | 0.108 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -93.5 | 125.3 | 176 | -67.1 | 163.6 | 0 | 0 | 0 | 108.6 | F512 W520 A581 K584 L588 | F512-I586 HydrophobicContact CB-CD1 4.19Å; F512-I586 HydrophobicContact CB-CG2 4.44Å; F512-I586 HydrophobicContact CD1-CG2 4.44Å; W520-I586 HydrophobicContact CH2-CB 4.5Å; W520-I586 HydrophobicContact CH2-CD1 4.01Å; W520-I586 HydrophobicContact CH2-CG2 4.3Å; W520-I586 HydrophobicContact CZ2-CD1 3.75Å; A581-I586 HydrophobicContact CB-CB 4.3Å; A581-I586 PolarHBondContact O-N 2.72Å; K584-I586 HydrophobicContact CB-CD1 3.78Å; K584-I586 HydrophobicContact CB-CG1 4.13Å; K584-I586 PolarHBondContact O-N 2.89Å; I586-L588 HydrophobicContact CG2-CD2 4.03Å; I586-L588 PolarHBondContact O-N 3.47Å |
| 587 | N | 93.2 | Very high | 94.9 | Very high | 147 Ų | 147 | 79.7 Ų | 79.7 | 79% | 0.786 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 118.3 | 174.3 | -66.4 | -32.9 | 0 | 0 | 0 | 109.3 | ||
| 588 | L | 94.6 | Very high | 94.8 | Very high | 36 Ų | 36 | 79.7 Ų | 79.7 | 19% | 0.188 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.2 | 175.2 | -65.1 | -177.7 | 0 | 0 | 0 | 110.8 | L508 F512 W520 A581 I586 I590 | L508-L588 HydrophobicContact CD2-CD1 4.35Å; F512-L588 HydrophobicContact CD1-CD2 3.6Å; F512-L588 HydrophobicContact CE1-CD2 3.57Å; W520-L588 HydrophobicContact CH2-CD2 4.37Å; W520-L588 HydrophobicContact CZ3-CD1 4.25Å; W520-L588 HydrophobicContact CZ3-CD2 4.24Å; A581-L588 HydrophobicContact CB-CD1 3.32Å; A581-L588 HydrophobicContact CB-CD2 4.37Å; A581-L588 HydrophobicContact CB-CG 3.56Å; I586-L588 HydrophobicContact CG2-CD2 4.03Å; I586-L588 PolarHBondContact O-N 3.47Å; L588-I590 HydrophobicContact CB-CD1 4.31Å; L588-I590 HydrophobicContact CB-CG1 3.91Å; L588-I590 HydrophobicContact CD1-CD1 4.49Å |
| 589 | N | 96.8 | Very high | 94.8 | Very high | 112 Ų | 112 | 78.2 Ų | 78.2 | 60% | 0.599 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 114.8 | 159.7 | -172.8 | 0.6 | 0 | 0 | 0 | 108.2 | V509 | V509-N589 HydrophobicContact CB-CB 4.48Å; V509-N589 PolarHBondContact N-O 2.83Å; V509-N589 PolarHBondContact O-N 3.16Å |
| 590 | I | 95.9 | Very high | 94.8 | Very high | 44 Ų | 44 | 74.8 Ų | 74.8 | 23% | 0.226 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.7 | -175.4 | -52.4 | -172.3 | 0 | 0 | 0 | 108.3 | L506 L508 R574 S578 L588 | L506-I590 HydrophobicContact CD1-CG2 3.6Å; L508-I590 HydrophobicContact CD2-CB 4.14Å; L508-I590 HydrophobicContact CD2-CD1 3.85Å; L508-I590 HydrophobicContact CD2-CG1 3.59Å; L508-I590 HydrophobicContact CD2-CG2 3.84Å; R574-I590 HydrophobicContact CG-CG2 4.27Å; S578-I590 WeakPolarHBondContact OG-CD1 3.43Å; L588-I590 HydrophobicContact CB-CD1 4.31Å; L588-I590 HydrophobicContact CB-CG1 3.91Å; L588-I590 HydrophobicContact CD1-CD1 4.49Å |
| 591 | S | 96.6 | Very high | 94.8 | Very high | 60 Ų | 60 | 75.8 Ų | 75.8 | 42% | 0.42 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150 | 173.2 | 55.5 | 0 | 0 | 0 | 0 | 109.9 | S507 | S507-S591 WeakPolarHBondContact CB-OG 3.41Å; S507-S591 PolarHBondContact N-O 3.38Å; S507-S591 PolarHBondContact O-N 2.92Å |
| 592 | Y | 94.6 | Very high | 94.9 | Very high | 104 Ų | 104 | 75.8 Ų | 75.8 | 41% | 0.408 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 149.7 | 178 | 50.5 | -95.4 | 0 | 0 | 0 | 110.2 | R505 I594 F681 | R505-Y592 CarbonylContact O-C 3.53Å; R505-Y592 WeakPolarHBondContact O-CA 3.47Å; Y592-I594 HydrophobicContact CD2-CD1 4.3Å; Y592-I594 HydrophobicContact CD2-CG1 3.96Å; Y592-F681 HydrophobicContact CD1-CD1 4.05Å; Y592-F681 AromaticContact CD1-CE1 4Å; Y592-F681 HydrophobicContact CD1-CE1 4Å; Y592-F681 AromaticContact CD2-CD1 3.74Å; Y592-F681 HydrophobicContact CD2-CD1 3.74Å; Y592-F681 HydrophobicContact CD2-CE1 4.27Å; Y592-F681 HydrophobicContact CE1-CD1 4.12Å; Y592-F681 HydrophobicContact CE1-CE1 4.39Å; Y592-F681 HydrophobicContact CE2-CB 4.48Å; Y592-F681 AromaticContact CE2-CD1 3.79Å; Y592-F681 HydrophobicContact CE2-CD1 3.79Å; Y592-F681 AromaticContact CG-CD1 3.87Å; Y592-F681 HydrophobicContact CG-CD1 3.87Å; Y592-F681 AromaticContact CG-CE1 3.93Å; Y592-F681 HydrophobicContact CG-CE1 3.93Å; Y592-F681 AromaticContact CZ-CD1 3.99Å |
| 593 | D | 96.1 | Very high | 94.9 | Very high | 111 Ų | 111 | 71 Ų | 71 | 59% | 0.594 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 112.8 | 175.5 | -175.1 | 12.6 | 0 | 0 | 0 | 107.1 | N504 R505 | N504-D593 CarbonylContact C-O 3.53Å; N504-D593 WeakPolarHBondContact CA-O 3.39Å; R505-D593 HydrophobicContact CB-CB 4.26Å; R505-D593 PolarHBondContact N-O 2.99Å; R505-D593 PolarHBondContact O-N 2.83Å |
| 594 | I | 95.8 | Very high | 95 | Very high | 42 Ų | 42 | 71.7 Ų | 71.7 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | trans | -104.8 | 122.6 | -172.2 | -56.9 | -54.8 | 0 | 0 | 0 | 108.1 | N504 I567 Y592 F681 | N504-I594 HydrophobicContact CB-CD1 4.26Å; N504-I594 WeakPolarHBondContact OD1-CA 3.49Å; N504-I594 WeakPolarHBondContact OD1-CG2 3.49Å; I567-I594 HydrophobicContact CD1-CD1 4.14Å; I567-I594 HydrophobicContact CD1-CG1 4.4Å; I567-I594 HydrophobicContact CD1-CG2 3.57Å; I567-I594 HydrophobicContact CG1-CD1 4.22Å; Y592-I594 HydrophobicContact CD2-CD1 4.3Å; Y592-I594 HydrophobicContact CD2-CG1 3.96Å; I594-F681 HydrophobicContact CD1-CD1 4.25Å; I594-F681 HydrophobicContact CD1-CD2 4.38Å; I594-F681 HydrophobicContact CD1-CE1 4.48Å; I594-F681 HydrophobicContact CD1-CG 4.21Å; I594-F681 HydrophobicContact CG1-CB 4.3Å; I594-F681 HydrophobicContact CG1-CD1 4.48Å; I594-F681 HydrophobicContact CG1-CG 4.31Å | ||
| 595 | N | 94.3 | Very high | 95 | Very high | 55 Ų | 55 | 67.9 Ų | 67.9 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | trans | -82 | 119.7 | 173.7 | -172.9 | -32.3 | 0 | 0 | 0 | 109 | P502 N504 D597 S598 | P502-N595 HydrophobicContact CB-CB 4.44Å; P502-N595 WeakPolarHBondContact CB-ND2 3.2Å; N504-N595 PolarHBondContact OD1-N 3.05Å; N595-D597 PolarHBondContact O-N 3.29Å; N595-D597 WeakPolarHBondContact OD1-CB 3.4Å; N595-D597 PolarHBondContact OD1-N 2.96Å; N595-S598 WeakPolarHBondContact O-CB 3.21Å; N595-S598 PolarHBondContact O-N 3.19Å; N595-S598 VanDerWaalsContact O-N 3.09Å; N595-S598 PolarHBondContact O-OG 3.2Å | ||
| 596 | D | 89.2 | Confident | 95.1 | Very high | 112 Ų | 112 | 59 Ų | 59 | 60% | 0.599 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -26.6 | -177.8 | -80 | -41.2 | 0 | 0 | 0 | 112.9 | ||
| 597 | D | 94.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 60 Ų | 60 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -80 | -16 | 179.1 | -66.4 | -35.6 | 0 | 0 | 0 | 113.3 | P502 N595 V599 S600 H601 | P502-D597 HydrophobicContact CB-CB 4.18Å; N595-D597 PolarHBondContact O-N 3.29Å; N595-D597 WeakPolarHBondContact OD1-CB 3.4Å; N595-D597 PolarHBondContact OD1-N 2.96Å; D597-V599 VanDerWaalsContact C-N 3.34Å; D597-V599 PolarHBondContact O-N 3.25Å; D597-S600 PolarHBondContact O-N 2.76Å; D597-H601 WeakPolarHBondContact O-CB 3.44Å; D597-H601 PolarHBondContact O-N 2.82Å |
| 598 | S | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -37.2 | -174.7 | 67.4 | 0 | 0 | 0 | 0 | 113.4 | P502 N504 N595 H601 T602 | P502-S598 VanDerWaalsContact O-CB 3.3Å; P502-S598 WeakPolarHBondContact O-CB 3.36Å; N504-S598 WeakPolarHBondContact ND2-CB 3.37Å; N504-S598 PolarHBondContact ND2-OG 2.78Å; N504-S598 PolarHBondContact OD1-OG 2.78Å; N504-S598 VanDerWaalsContact OD1-OG 3.06Å; N595-S598 WeakPolarHBondContact O-CB 3.21Å; N595-S598 PolarHBondContact O-N 3.19Å; N595-S598 VanDerWaalsContact O-N 3.09Å; N595-S598 PolarHBondContact O-OG 3.2Å; S598-H601 WeakPolarHBondContact O-CB 3.44Å; S598-H601 PolarHBondContact O-N 2.93Å; S598-T602 WeakPolarHBondContact O-CB 3.16Å; S598-T602 PolarHBondContact O-N 2.91Å; S598-T602 PolarHBondContact O-OG1 2.91Å |
| 599 | V | 95.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67 | -46.7 | 177.4 | 173 | 0 | 0 | 0 | 0 | 110.1 | I567 D597 H601 T602 L603 L674 K678 F709 | I567-V599 HydrophobicContact CG2-CG2 4.12Å; D597-V599 VanDerWaalsContact C-N 3.34Å; D597-V599 PolarHBondContact O-N 3.25Å; V599-H601 VanDerWaalsContact C-N 3.29Å; V599-H601 PolarHBondContact O-N 3.38Å; V599-T602 PolarHBondContact O-N 2.81Å; V599-L603 HydrophobicContact CG1-CD1 4.04Å; V599-L603 HydrophobicContact CG1-CG 4.46Å; V599-L603 WeakPolarHBondContact O-CB 3.32Å; V599-L603 WeakPolarHBondContact O-CG 3.45Å; V599-L603 PolarHBondContact O-N 2.79Å; V599-L674 HydrophobicContact CG1-CD2 4.3Å; V599-K678 HydrophobicContact CB-CD 4.45Å; V599-K678 HydrophobicContact CG1-CD 4.12Å; V599-K678 HydrophobicContact CG2-CB 4.37Å; V599-K678 HydrophobicContact CG2-CD 3.88Å; V599-K678 HydrophobicContact CG2-CG 4.14Å; V599-F709 HydrophobicContact CG1-CD1 3.53Å; V599-F709 HydrophobicContact CG1-CE1 4.04Å; V599-F709 HydrophobicContact CG1-CG 4.34Å |
| 600 | S | 95.4 | Very high | 94.9 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | D597 R604 | D597-S600 PolarHBondContact O-N 2.76Å; S600-R604 VanDerWaalsContact O-CG 3.26Å; S600-R604 WeakPolarHBondContact O-CG 3.45Å; S600-R604 PolarHBondContact O-N 2.86Å |
| 601 | H | 95.9 | Very high | 94.8 | Very high | 45 Ų | 45 | 55.8 Ų | 55.8 | 21% | 0.208 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -51.1 | 171.9 | 177.1 | 78.4 | 0 | 0 | 0 | 111.8 | P502 D565 D597 S598 V599 L603 R604 M605 | P502-H601 HydrophobicContact CG-CB 3.56Å; D565-H601 IonicContact OD2-NE2 3.22Å; D597-H601 WeakPolarHBondContact O-CB 3.44Å; D597-H601 PolarHBondContact O-N 2.82Å; S598-H601 WeakPolarHBondContact O-CB 3.44Å; S598-H601 PolarHBondContact O-N 2.93Å; V599-H601 VanDerWaalsContact C-N 3.29Å; V599-H601 PolarHBondContact O-N 3.38Å; H601-L603 PolarHBondContact O-N 3.45Å; H601-R604 WeakPolarHBondContact O-CB 3.42Å; H601-R604 PolarHBondContact O-N 2.97Å; H601-R604 VanDerWaalsContact O-N 3.13Å; H601-M605 PolarHBondContact NE2-SD 2.98Å; H601-M605 WeakPolarHBondContact O-CG 3.38Å; H601-M605 PolarHBondContact O-N 3.18Å |
| 602 | T | 96 | Very high | 94.6 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 179.5 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | D565 S598 V599 R604 M605 I606 L674 | D565-T602 PolarHBondContact O-OG1 2.94Å; S598-T602 WeakPolarHBondContact O-CB 3.16Å; S598-T602 PolarHBondContact O-N 2.91Å; S598-T602 PolarHBondContact O-OG1 2.91Å; V599-T602 PolarHBondContact O-N 2.81Å; T602-R604 VanDerWaalsContact C-N 3.31Å; T602-R604 PolarHBondContact O-N 3.07Å; T602-M605 WeakPolarHBondContact O-CB 3.41Å; T602-M605 PolarHBondContact O-N 3.48Å; T602-M605 VanDerWaalsContact O-N 3.09Å; T602-I606 HydrophobicContact CG2-CD1 4.06Å; T602-I606 WeakPolarHBondContact O-CG1 3.48Å; T602-I606 PolarHBondContact O-N 2.86Å; T602-L674 HydrophobicContact CG2-CD1 4.24Å; T602-L674 HydrophobicContact CG2-CD2 4Å |
| 603 | L | 96.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.9 | -72.8 | 173.1 | 0 | 0 | 0 | 112.1 | V599 H601 M605 I606 H607 I671 L674 L705 L706 F709 | V599-L603 HydrophobicContact CG1-CD1 4.04Å; V599-L603 HydrophobicContact CG1-CG 4.46Å; V599-L603 WeakPolarHBondContact O-CB 3.32Å; V599-L603 WeakPolarHBondContact O-CG 3.45Å; V599-L603 PolarHBondContact O-N 2.79Å; H601-L603 PolarHBondContact O-N 3.45Å; L603-M605 VanDerWaalsContact C-N 3.32Å; L603-M605 PolarHBondContact O-N 3.15Å; L603-I606 PolarHBondContact O-N 3.28Å; L603-H607 WeakPolarHBondContact O-CB 3.32Å; L603-H607 PolarHBondContact O-N 2.72Å; L603-I671 HydrophobicContact CD2-CG2 4.35Å; L603-L674 HydrophobicContact CD2-CD2 3.9Å; L603-L674 HydrophobicContact CG-CD2 4Å; L603-L705 HydrophobicContact CD2-CD2 3.94Å; L603-L705 HydrophobicContact CD2-CG 4.48Å; L603-L706 HydrophobicContact CB-CD2 4.15Å; L603-L706 HydrophobicContact CD1-CD2 3.79Å; L603-F709 HydrophobicContact CD1-CB 4.29Å; L603-F709 HydrophobicContact CD1-CD1 4.14Å; L603-F709 HydrophobicContact CD1-CD2 3.98Å; L603-F709 HydrophobicContact CD1-CE1 4.4Å; L603-F709 HydrophobicContact CD1-CE2 4.28Å; L603-F709 HydrophobicContact CD1-CG 3.88Å; L603-F709 HydrophobicContact CD1-CZ 4.46Å; L603-F709 HydrophobicContact CD2-CE2 4.34Å; L603-F709 HydrophobicContact CD2-CZ 4.25Å |
| 604 | R | 96.1 | Very high | 94.2 | Very high | 151 Ų | 151 | 50.9 Ų | 50.9 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67 | -31.1 | 173.5 | -71.9 | 172.5 | -170.5 | 145.7 | 3.3 | 112.7 | S600 H601 T602 P608 | S600-R604 VanDerWaalsContact O-CG 3.26Å; S600-R604 WeakPolarHBondContact O-CG 3.45Å; S600-R604 PolarHBondContact O-N 2.86Å; H601-R604 WeakPolarHBondContact O-CB 3.42Å; H601-R604 PolarHBondContact O-N 2.97Å; H601-R604 VanDerWaalsContact O-N 3.13Å; T602-R604 VanDerWaalsContact C-N 3.31Å; T602-R604 PolarHBondContact O-N 3.07Å; R604-P608 WeakPolarHBondContact O-CD 3.22Å |
| 605 | M | 95.2 | Very high | 94 | Very high | 46 Ų | 46 | 52.7 Ų | 52.7 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.8 | -35 | 172.8 | -64.4 | -171.5 | 79.5 | 0 | 0 | 112.5 | L547 T549 H601 T602 L603 | L547-M605 VanDerWaalsContact O-CE 3.24Å; L547-M605 WeakPolarHBondContact O-CE 3.44Å; T549-M605 HydrophobicContact CG2-SD 4.07Å; H601-M605 PolarHBondContact NE2-SD 2.98Å; H601-M605 WeakPolarHBondContact O-CG 3.38Å; H601-M605 PolarHBondContact O-N 3.18Å; T602-M605 WeakPolarHBondContact O-CB 3.41Å; T602-M605 PolarHBondContact O-N 3.48Å; T602-M605 VanDerWaalsContact O-N 3.09Å; L603-M605 VanDerWaalsContact C-N 3.32Å; L603-M605 PolarHBondContact O-N 3.15Å |
| 606 | I | 95.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.2 | -35 | 176.2 | -70 | 168.1 | 0 | 0 | 0 | 111.2 | L547 T602 L603 K609 L610 L667 I671 | L547-I606 HydrophobicContact CD2-CD1 4.4Å; L547-I606 HydrophobicContact CD2-CG1 3.76Å; T602-I606 HydrophobicContact CG2-CD1 4.06Å; T602-I606 WeakPolarHBondContact O-CG1 3.48Å; T602-I606 PolarHBondContact O-N 2.86Å; L603-I606 PolarHBondContact O-N 3.28Å; I606-K609 WeakPolarHBondContact O-CB 3.42Å; I606-K609 PolarHBondContact O-N 2.85Å; I606-K609 VanDerWaalsContact O-N 3.08Å; I606-L610 PolarHBondContact O-N 3.37Å; I606-L667 HydrophobicContact CG2-CD2 4.15Å; I606-I671 HydrophobicContact CD1-CG1 4.1Å; I606-I671 HydrophobicContact CG2-CD1 3.92Å; I606-I671 HydrophobicContact CG2-CG1 4.08Å |
| 607 | H | 95.1 | Very high | 94 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 20% | 0.204 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52.2 | -51.4 | -170.6 | 168 | 81.5 | 0 | 0 | 0 | 115 | L603 K609 L610 E611 Y700 L702 | L603-H607 WeakPolarHBondContact O-CB 3.32Å; L603-H607 PolarHBondContact O-N 2.72Å; H607-K609 VanDerWaalsContact C-N 3.26Å; H607-K609 PolarHBondContact O-N 3.09Å; H607-L610 PolarHBondContact O-N 2.93Å; H607-E611 IonicContact NE2-OE2 3.76Å; H607-E611 WeakPolarHBondContact O-CB 3.4Å; H607-E611 PolarHBondContact O-N 3.3Å; H607-Y700 WeakPolarHBondContact CA-OH 3.36Å; H607-Y700 VanDerWaalsContact CB-OH 3.32Å; H607-Y700 WeakPolarHBondContact CB-OH 3.26Å; H607-Y700 AromaticContact CE1-CE1 3.97Å; H607-Y700 AromaticContact ND1-CE1 3.45Å; H607-Y700 WeakPolarHBondContact ND1-CE1 3.46Å; H607-Y700 AromaticContact ND1-CZ 3.46Å; H607-Y700 PolarHBondContact ND1-OH 3.06Å; H607-L702 HydrophobicContact CB-CD1 4.07Å; H607-L702 HydrophobicContact CB-CD2 4.24Å |
| 608 | P | 94.8 | Very high | 93.9 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 47% | 0.468 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.4 | -35.7 | 179.8 | -24.4 | 33.4 | 0 | 0 | 0 | 113.2 | R604 Y612 | R604-P608 WeakPolarHBondContact O-CD 3.22Å; P608-Y612 WeakPolarHBondContact O-CB 3.15Å; P608-Y612 PolarHBondContact O-N 3.01Å |
| 609 | K | 92.9 | Very high | 93.8 | Very high | 86 Ų | 86 | 50 Ų | 50 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.3 | -43.9 | 178.4 | -65.1 | 171.9 | -175.5 | -89.5 | 0 | 110.4 | F546 I606 H607 Q613 L667 | F546-K609 WeakPolarHBondContact O-CE 3.49Å; F546-K609 PolarHBondContact O-NZ 2.9Å; I606-K609 WeakPolarHBondContact O-CB 3.42Å; I606-K609 PolarHBondContact O-N 2.85Å; I606-K609 VanDerWaalsContact O-N 3.08Å; H607-K609 VanDerWaalsContact C-N 3.26Å; H607-K609 PolarHBondContact O-N 3.09Å; K609-Q613 WeakPolarHBondContact O-CG 3.21Å; K609-Q613 PolarHBondContact O-N 3.02Å; K609-L667 HydrophobicContact CB-CD1 4.33Å; K609-L667 HydrophobicContact CB-CD2 4.29Å |
| 610 | L | 93 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.2 | -44.3 | 179.9 | -171.5 | 65.3 | 0 | 0 | 0 | 111.9 | I606 H607 Y612 Q613 L614 L664 L667 Y668 I671 L697 Y700 | I606-L610 PolarHBondContact O-N 3.37Å; H607-L610 PolarHBondContact O-N 2.93Å; L610-Y612 VanDerWaalsContact C-N 3.33Å; L610-Y612 PolarHBondContact O-N 2.78Å; L610-Q613 PolarHBondContact O-N 3.03Å; L610-L614 HydrophobicContact CG-CD1 4.25Å; L610-L614 WeakPolarHBondContact O-CG 3.36Å; L610-L614 PolarHBondContact O-N 2.98Å; L610-L664 HydrophobicContact CD1-CD2 3.6Å; L610-L667 HydrophobicContact CB-CD1 4.31Å; L610-L667 HydrophobicContact CD1-CB 4.23Å; L610-L667 HydrophobicContact CD1-CD1 3.97Å; L610-Y668 HydrophobicContact CD1-CD1 4.17Å; L610-Y668 HydrophobicContact CD1-CE1 3.65Å; L610-Y668 HydrophobicContact CD2-CE1 4.4Å; L610-I671 HydrophobicContact CD2-CD1 4.12Å; L610-L697 HydrophobicContact CD2-CD2 4.15Å; L610-Y700 HydrophobicContact CD2-CD1 4.26Å; L610-Y700 HydrophobicContact CD2-CD2 3.57Å; L610-Y700 HydrophobicContact CD2-CE1 4.11Å; L610-Y700 HydrophobicContact CD2-CE2 3.45Å; L610-Y700 VanDerWaalsContact CD2-CE2 3.45Å; L610-Y700 HydrophobicContact CD2-CG 3.98Å; L610-Y700 HydrophobicContact CG-CE1 4.43Å |
| 611 | E | 93.3 | Very high | 93.6 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 43% | 0.425 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 175.8 | -176.5 | 178.6 | -138.7 | 0 | 0 | 111.4 | H607 Q613 L614 L615 | H607-E611 IonicContact NE2-OE2 3.76Å; H607-E611 WeakPolarHBondContact O-CB 3.4Å; H607-E611 PolarHBondContact O-N 3.3Å; E611-Q613 PolarHBondContact O-N 3.13Å; E611-L614 PolarHBondContact O-N 3.27Å; E611-L615 HydrophobicContact CG-CD1 3.89Å; E611-L615 HydrophobicContact CG-CG 4.29Å; E611-L615 WeakPolarHBondContact O-CB 3.22Å; E611-L615 WeakPolarHBondContact O-CG 3.24Å; E611-L615 PolarHBondContact O-N 2.98Å |
| 612 | Y | 92.9 | Very high | 93.5 | Very high | 105 Ų | 105 | 56.9 Ų | 56.9 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.4 | -48.6 | 175.5 | -178.5 | -94.2 | 0 | 0 | 0 | 112 | P608 L610 L614 L615 L616 E656 | P608-Y612 WeakPolarHBondContact O-CB 3.15Å; P608-Y612 PolarHBondContact O-N 3.01Å; L610-Y612 VanDerWaalsContact C-N 3.33Å; L610-Y612 PolarHBondContact O-N 2.78Å; Y612-L614 PolarHBondContact O-N 3.03Å; Y612-L615 PolarHBondContact O-N 3.47Å; Y612-L616 WeakPolarHBondContact O-CB 3.5Å; Y612-L616 PolarHBondContact O-N 2.93Å; Y612-E656 PolarHBondContact OH-OE2 3.2Å |
| 613 | Q | 92.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 12% | 0.121 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 179.3 | -63.7 | -54 | -39.5 | 0 | 0 | 111.5 | K609 L610 E611 L616 A617 Q660 H663 L664 L667 | K609-Q613 WeakPolarHBondContact O-CG 3.21Å; K609-Q613 PolarHBondContact O-N 3.02Å; L610-Q613 PolarHBondContact O-N 3.03Å; E611-Q613 PolarHBondContact O-N 3.13Å; Q613-L616 WeakPolarHBondContact O-CB 3.27Å; Q613-L616 PolarHBondContact O-N 3.5Å; Q613-A617 PolarHBondContact O-N 3.44Å; Q613-Q660 HydrophobicContact CB-CG 4.3Å; Q613-Q660 PolarHBondContact O-NE2 3.35Å; Q613-H663 HydrophobicContact CG-CB 4.41Å; Q613-L664 HydrophobicContact CB-CD2 3.48Å; Q613-L664 VanDerWaalsContact CB-CD2 3.48Å; Q613-L664 HydrophobicContact CB-CG 3.9Å; Q613-L664 HydrophobicContact CG-CD2 4.23Å; Q613-L664 HydrophobicContact CG-CG 4.48Å; Q613-L667 HydrophobicContact CG-CD1 4.25Å |
| 614 | L | 90.6 | Very high | 93.2 | Very high | 42 Ų | 42 | 61.9 Ų | 61.9 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 177.9 | -65.9 | 173.4 | 0 | 0 | 0 | 112.5 | L610 E611 Y612 A617 K618 L664 Y700 | L610-L614 HydrophobicContact CG-CD1 4.25Å; L610-L614 WeakPolarHBondContact O-CG 3.36Å; L610-L614 PolarHBondContact O-N 2.98Å; E611-L614 PolarHBondContact O-N 3.27Å; Y612-L614 PolarHBondContact O-N 3.03Å; L614-A617 PolarHBondContact O-N 3.38Å; L614-K618 PolarHBondContact O-N 2.67Å; L614-L664 HydrophobicContact CD2-CD2 4.42Å; L614-Y700 VanDerWaalsContact CD1-CB 3.48Å; L614-Y700 HydrophobicContact CD1-CD1 3.7Å; L614-Y700 HydrophobicContact CD1-CG 3.85Å |
| 615 | L | 91.4 | Very high | 93.1 | Very high | 80 Ų | 80 | 57.1 Ų | 57.1 | 42% | 0.419 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 174.9 | -73.8 | 174.5 | 0 | 0 | 0 | 112 | E611 Y612 A617 K618 K619 | E611-L615 HydrophobicContact CG-CD1 3.89Å; E611-L615 HydrophobicContact CG-CG 4.29Å; E611-L615 WeakPolarHBondContact O-CB 3.22Å; E611-L615 WeakPolarHBondContact O-CG 3.24Å; E611-L615 PolarHBondContact O-N 2.98Å; Y612-L615 PolarHBondContact O-N 3.47Å; L615-A617 VanDerWaalsContact C-N 3.29Å; L615-A617 PolarHBondContact O-N 2.89Å; L615-K618 PolarHBondContact O-N 3.11Å; L615-K619 WeakPolarHBondContact O-CG 3.37Å; L615-K619 PolarHBondContact O-N 3.25Å |
| 616 | L | 92.8 | Very high | 93 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.9 | -43.8 | 175.3 | 176.6 | 62.3 | 0 | 0 | 0 | 111.3 | Y612 Q613 K618 K619 V620 L653 E656 Y657 Q660 | Y612-L616 WeakPolarHBondContact O-CB 3.5Å; Y612-L616 PolarHBondContact O-N 2.93Å; Q613-L616 WeakPolarHBondContact O-CB 3.27Å; Q613-L616 PolarHBondContact O-N 3.5Å; L616-K618 PolarHBondContact O-N 3.02Å; L616-K619 PolarHBondContact O-N 2.68Å; L616-V620 HydrophobicContact CD1-CG2 4.1Å; L616-V620 VanDerWaalsContact O-CG2 3.23Å; L616-V620 WeakPolarHBondContact O-CG2 3.3Å; L616-V620 PolarHBondContact O-N 3.32Å; L616-L653 HydrophobicContact CD1-CB 4.16Å; L616-L653 HydrophobicContact CD1-CD2 3.6Å; L616-L653 HydrophobicContact CD1-CG 4.49Å; L616-E656 HydrophobicContact CD1-CB 4.39Å; L616-E656 HydrophobicContact CD2-CB 3.82Å; L616-Y657 HydrophobicContact CG-CD2 4.43Å; L616-Q660 HydrophobicContact CD2-CB 4.19Å |
| 617 | A | 90.9 | Very high | 92.9 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q613 L614 L615 V620 Q621 Y657 | Q613-A617 PolarHBondContact O-N 3.44Å; L614-A617 PolarHBondContact O-N 3.38Å; L615-A617 VanDerWaalsContact C-N 3.29Å; L615-A617 PolarHBondContact O-N 2.89Å; A617-V620 PolarHBondContact O-N 3.42Å; A617-Q621 VanDerWaalsContact O-CG 3.32Å; A617-Q621 WeakPolarHBondContact O-CG 3.31Å; A617-Q621 PolarHBondContact O-N 2.75Å; A617-Q621 VanDerWaalsContact O-N 3.09Å; A617-Y657 HydrophobicContact CB-CE2 3.94Å |
| 618 | K | 91.1 | Very high | 92.8 | Very high | 130 Ų | 130 | 62.5 Ų | 62.5 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 178.4 | -68.4 | 176.6 | -179 | 175.2 | 0 | 112 | L614 L615 L616 Q621 L622 | L614-K618 PolarHBondContact O-N 2.67Å; L615-K618 PolarHBondContact O-N 3.11Å; L616-K618 PolarHBondContact O-N 3.02Å; K618-Q621 PolarHBondContact O-N 2.94Å; K618-L622 WeakPolarHBondContact O-CG 3.5Å |
| 619 | K | 93.1 | Very high | 92.7 | Very high | 68 Ų | 68 | 62.7 Ų | 62.7 | 30% | 0.296 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 177.3 | -72 | -177.7 | 176.2 | -172.9 | 0 | 111.3 | L615 L616 Q621 L622 I623 I646 L653 | L615-K619 WeakPolarHBondContact O-CG 3.37Å; L615-K619 PolarHBondContact O-N 3.25Å; L616-K619 PolarHBondContact O-N 2.68Å; K619-Q621 VanDerWaalsContact C-N 3.34Å; K619-Q621 PolarHBondContact O-N 2.84Å; K619-L622 WeakPolarHBondContact O-CB 3.27Å; K619-L622 PolarHBondContact O-N 3.37Å; K619-L622 VanDerWaalsContact O-N 3.08Å; K619-I623 PolarHBondContact O-N 3.47Å; K619-I646 HydrophobicContact CB-CD1 4.25Å; K619-I646 HydrophobicContact CB-CG1 4.41Å; K619-I646 HydrophobicContact CD-CG1 4.26Å; K619-I646 HydrophobicContact CG-CD1 3.9Å; K619-I646 HydrophobicContact CG-CG1 4.14Å; K619-L653 HydrophobicContact CB-CD1 4.3Å; K619-L653 HydrophobicContact CD-CD1 4.33Å; K619-L653 HydrophobicContact CD-CD2 4.29Å |
| 620 | V | 93.4 | Very high | 92.6 | Very high | 15 Ų | 15 | 62 Ų | 62 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | -178.2 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | L616 A617 L622 I623 L653 L654 Y657 | L616-V620 HydrophobicContact CD1-CG2 4.1Å; L616-V620 VanDerWaalsContact O-CG2 3.23Å; L616-V620 WeakPolarHBondContact O-CG2 3.3Å; L616-V620 PolarHBondContact O-N 3.32Å; A617-V620 PolarHBondContact O-N 3.42Å; V620-L622 PolarHBondContact O-N 3.09Å; V620-L622 VanDerWaalsContact O-N 3.14Å; V620-I623 HydrophobicContact CB-CD1 4.39Å; V620-I623 HydrophobicContact CG2-CD1 4.14Å; V620-I623 PolarHBondContact O-N 2.94Å; V620-I623 VanDerWaalsContact O-N 3.12Å; V620-L653 HydrophobicContact CG2-CB 4.21Å; V620-L654 HydrophobicContact CG1-CD2 3.89Å; V620-Y657 HydrophobicContact CB-CD2 4.08Å; V620-Y657 HydrophobicContact CB-CE2 4.45Å; V620-Y657 HydrophobicContact CB-CG 4.15Å; V620-Y657 HydrophobicContact CG1-CD1 3.84Å; V620-Y657 HydrophobicContact CG1-CD2 4.22Å; V620-Y657 HydrophobicContact CG1-CE1 4.16Å; V620-Y657 HydrophobicContact CG1-CG 3.88Å; V620-Y657 HydrophobicContact CG2-CD2 3.95Å; V620-Y657 HydrophobicContact CG2-CG 3.89Å |
| 621 | Q | 93.3 | Very high | 92.5 | Very high | 143 Ų | 143 | 67.7 Ų | 67.7 | 67% | 0.668 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.1 | -25.4 | 173.7 | -74.2 | 173.3 | 5.1 | 0 | 0 | 113.4 | A617 K618 K619 | A617-Q621 VanDerWaalsContact O-CG 3.32Å; A617-Q621 WeakPolarHBondContact O-CG 3.31Å; A617-Q621 PolarHBondContact O-N 2.75Å; A617-Q621 VanDerWaalsContact O-N 3.09Å; K618-Q621 PolarHBondContact O-N 2.94Å; K619-Q621 VanDerWaalsContact C-N 3.34Å; K619-Q621 PolarHBondContact O-N 2.84Å |
| 622 | L | 94.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 70.7 Ų | 70.7 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -88.9 | -19.8 | 179.5 | -60.5 | 175 | 0 | 0 | 0 | 113.4 | K618 K619 V620 D624 A625 L626 Y643 I646 | K618-L622 WeakPolarHBondContact O-CG 3.5Å; K619-L622 WeakPolarHBondContact O-CB 3.27Å; K619-L622 PolarHBondContact O-N 3.37Å; K619-L622 VanDerWaalsContact O-N 3.08Å; V620-L622 PolarHBondContact O-N 3.09Å; V620-L622 VanDerWaalsContact O-N 3.14Å; L622-D624 PolarHBondContact O-N 2.84Å; L622-A625 PolarHBondContact O-N 3.01Å; L622-L626 HydrophobicContact CB-CD1 4.07Å; L622-L626 HydrophobicContact CB-CG 4.41Å; L622-L626 WeakPolarHBondContact O-CB 3.33Å; L622-L626 VanDerWaalsContact O-CG 3.24Å; L622-L626 WeakPolarHBondContact O-CG 3.32Å; L622-L626 PolarHBondContact O-N 2.81Å; L622-Y643 HydrophobicContact CD1-CE1 3.99Å; L622-I646 HydrophobicContact CD1-CD1 4.43Å |
| 623 | I | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.5 | -47.6 | -170.5 | -72.2 | 174.2 | 0 | 0 | 0 | 111.8 | K619 V620 L626 K627 I646 L653 L654 | K619-I623 PolarHBondContact O-N 3.47Å; V620-I623 HydrophobicContact CB-CD1 4.39Å; V620-I623 HydrophobicContact CG2-CD1 4.14Å; V620-I623 PolarHBondContact O-N 2.94Å; V620-I623 VanDerWaalsContact O-N 3.12Å; I623-L626 PolarHBondContact O-N 2.95Å; I623-K627 HydrophobicContact CG2-CD 3.91Å; I623-K627 HydrophobicContact CG2-CG 4.37Å; I623-K627 WeakPolarHBondContact O-CB 3.29Å; I623-K627 WeakPolarHBondContact O-CG 3.38Å; I623-K627 PolarHBondContact O-N 3.01Å; I623-I646 HydrophobicContact CG1-CG2 3.75Å; I623-L653 HydrophobicContact CD1-CB 4.01Å; I623-L653 HydrophobicContact CD1-CD1 4.34Å; I623-L654 HydrophobicContact CD1-CD2 4.35Å; I623-L654 HydrophobicContact CD1-CG 3.98Å; I623-L654 HydrophobicContact CG2-CD1 4.4Å |
| 624 | D | 92.5 | Very high | 91.7 | Very high | 108 Ų | 108 | 73.5 Ų | 73.5 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | -175.3 | -68.4 | -18.8 | 0 | 0 | 0 | 111.1 | L622 L626 K627 E628 | L622-D624 PolarHBondContact O-N 2.84Å; D624-L626 VanDerWaalsContact C-N 3.35Å; D624-L626 PolarHBondContact O-N 3.37Å; D624-K627 PolarHBondContact O-N 2.91Å; D624-E628 WeakPolarHBondContact O-CG 3.13Å; D624-E628 PolarHBondContact O-N 3.14Å |
| 625 | A | 93.8 | Very high | 91.3 | Very high | 51 Ų | 51 | 75.1 Ų | 75.1 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L622 E628 L629 | L622-A625 PolarHBondContact O-N 3.01Å; A625-E628 PolarHBondContact O-N 2.84Å; A625-L629 VanDerWaalsContact O-CG 3.32Å; A625-L629 WeakPolarHBondContact O-CG 3.43Å; A625-L629 PolarHBondContact O-N 2.93Å |
| 626 | L | 92.9 | Very high | 91 | Very high | 9 Ų | 9 | 72 Ų | 72 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 177.1 | -68.1 | 174.5 | 0 | 0 | 0 | 111.8 | L622 I623 D624 L629 Q630 L639 Y643 I646 L647 | L622-L626 HydrophobicContact CB-CD1 4.07Å; L622-L626 HydrophobicContact CB-CG 4.41Å; L622-L626 WeakPolarHBondContact O-CB 3.33Å; L622-L626 VanDerWaalsContact O-CG 3.24Å; L622-L626 WeakPolarHBondContact O-CG 3.32Å; L622-L626 PolarHBondContact O-N 2.81Å; I623-L626 PolarHBondContact O-N 2.95Å; D624-L626 VanDerWaalsContact C-N 3.35Å; D624-L626 PolarHBondContact O-N 3.37Å; L626-L629 PolarHBondContact O-N 3.01Å; L626-Q630 WeakPolarHBondContact O-CB 3.38Å; L626-Q630 PolarHBondContact O-N 3.25Å; L626-L639 HydrophobicContact CD2-CD1 4.11Å; L626-L639 HydrophobicContact CD2-CD2 3.92Å; L626-Y643 HydrophobicContact CD1-CD1 4.45Å; L626-Y643 HydrophobicContact CD1-CG 4.2Å; L626-Y643 HydrophobicContact CD2-CD2 3.9Å; L626-Y643 HydrophobicContact CD2-CG 3.96Å; L626-I646 HydrophobicContact CD1-CB 4.23Å; L626-I646 HydrophobicContact CD1-CG2 4.01Å; L626-L647 HydrophobicContact CB-CD1 4.1Å; L626-L647 HydrophobicContact CB-CD2 3.6Å; L626-L647 HydrophobicContact CB-CG 3.79Å; L626-L647 HydrophobicContact CD1-CG 4.43Å |
| 627 | K | 92.6 | Very high | 90.7 | Very high | 73 Ų | 73 | 77.1 Ų | 77.1 | 32% | 0.317 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 175.9 | -79.3 | 179.3 | 176.6 | 172.5 | 0 | 111.3 | I623 D624 Q630 V631 L647 S650 | I623-K627 HydrophobicContact CG2-CD 3.91Å; I623-K627 HydrophobicContact CG2-CG 4.37Å; I623-K627 WeakPolarHBondContact O-CB 3.29Å; I623-K627 WeakPolarHBondContact O-CG 3.38Å; I623-K627 PolarHBondContact O-N 3.01Å; D624-K627 PolarHBondContact O-N 2.91Å; K627-Q630 PolarHBondContact O-N 2.87Å; K627-V631 WeakPolarHBondContact O-CG2 3.32Å; K627-V631 PolarHBondContact O-N 2.82Å; K627-L647 HydrophobicContact CB-CD2 4.48Å; K627-L647 HydrophobicContact CG-CD2 3.71Å; K627-S650 WeakPolarHBondContact CE-OG 3.22Å |
| 628 | E | 93.6 | Very high | 90.6 | Very high | 125 Ų | 125 | 80.8 Ų | 80.8 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.5 | -48.2 | 173.8 | -75.1 | -179.4 | 176.9 | 0 | 0 | 111.2 | D624 A625 Q630 V631 H632 | D624-E628 WeakPolarHBondContact O-CG 3.13Å; D624-E628 PolarHBondContact O-N 3.14Å; A625-E628 PolarHBondContact O-N 2.84Å; E628-Q630 PolarHBondContact O-N 2.76Å; E628-V631 PolarHBondContact O-N 3.42Å; E628-H632 PolarHBondContact O-CD2 3.43Å; E628-H632 PolarHBondContact O-N 2.96Å |
| 629 | L | 92.2 | Very high | 90.6 | Very high | 75 Ų | 75 | 75.2 Ų | 75.2 | 39% | 0.393 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 177.6 | -72.2 | 171.7 | 0 | 0 | 0 | 112.5 | A625 L626 V631 H632 E633 F638 | A625-L629 VanDerWaalsContact O-CG 3.32Å; A625-L629 WeakPolarHBondContact O-CG 3.43Å; A625-L629 PolarHBondContact O-N 2.93Å; L626-L629 PolarHBondContact O-N 3.01Å; L629-V631 VanDerWaalsContact C-N 3.34Å; L629-V631 PolarHBondContact O-N 3.43Å; L629-H632 PolarHBondContact O-N 3.48Å; L629-E633 WeakPolarHBondContact O-CB 3.46Å; L629-E633 PolarHBondContact O-N 3Å; L629-F638 HydrophobicContact CB-CE2 4.36Å; L629-F638 HydrophobicContact CB-CZ 3.92Å |
| 630 | Q | 91.3 | Very high | 90.7 | Very high | 73 Ų | 73 | 76.1 Ų | 76.1 | 34% | 0.341 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 176.4 | -174.9 | -177.8 | 27 | 0 | 0 | 112.2 | L626 K627 E628 G634 A636 L647 | L626-Q630 WeakPolarHBondContact O-CB 3.38Å; L626-Q630 PolarHBondContact O-N 3.25Å; K627-Q630 PolarHBondContact O-N 2.87Å; E628-Q630 PolarHBondContact O-N 2.76Å; Q630-G634 WeakPolarHBondContact O-CA 3.44Å; Q630-G634 PolarHBondContact O-N 2.83Å; Q630-A636 HydrophobicContact CG-CB 4.42Å; Q630-L647 HydrophobicContact CB-CD1 4.35Å |
| 631 | V | 91.4 | Very high | 90.6 | Very high | 118 Ų | 118 | 80.3 Ų | 80.3 | 72% | 0.715 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.2 | -40 | 177.9 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | K627 E628 L629 | K627-V631 WeakPolarHBondContact O-CG2 3.32Å; K627-V631 PolarHBondContact O-N 2.82Å; E628-V631 PolarHBondContact O-N 3.42Å; L629-V631 VanDerWaalsContact C-N 3.34Å; L629-V631 PolarHBondContact O-N 3.43Å |
| 632 | H | 90.2 | Very high | 90.6 | Very high | 154 Ų | 154 | 79.4 Ų | 79.4 | 71% | 0.713 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68.6 | -44.7 | 179.2 | -79 | -60.3 | 0 | 0 | 0 | 113.3 | E628 L629 | E628-H632 PolarHBondContact O-CD2 3.43Å; E628-H632 PolarHBondContact O-N 2.96Å; L629-H632 PolarHBondContact O-N 3.48Å |
| 633 | E | 86.9 | Confident | 90.5 | Very high | 123 Ų | 123 | 80.2 Ų | 80.2 | 58% | 0.575 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -89.5 | -11.7 | -175.5 | -63.4 | -68 | 165.9 | 0 | 0 | 113.1 | L629 N635 F638 | L629-E633 WeakPolarHBondContact O-CB 3.46Å; L629-E633 PolarHBondContact O-N 3Å; E633-N635 PolarHBondContact O-N 3.11Å; E633-F638 HydrophobicContact CB-CD1 3.98Å; E633-F638 HydrophobicContact CB-CE1 3.46Å; E633-F638 VanDerWaalsContact CB-CE1 3.46Å; E633-F638 HydrophobicContact CB-CZ 4.13Å; E633-F638 HydrophobicContact CG-CD1 4.14Å; E633-F638 HydrophobicContact CG-CE1 3.62Å; E633-F638 HydrophobicContact CG-CE2 4.49Å; E633-F638 HydrophobicContact CG-CZ 3.84Å |
| 634 | G | 83.1 | Confident | 90.4 | Very high | 67 Ų | 67 | 83.9 Ų | 83.9 | 69% | 0.691 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 75.1 | -1.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q630 | Q630-G634 WeakPolarHBondContact O-CA 3.44Å; Q630-G634 PolarHBondContact O-N 2.83Å |
| 635 | N | 83.5 | Confident | 90.3 | Very high | 76 Ų | 76 | 80.8 Ų | 80.8 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -152.3 | 177.3 | 171.4 | 65.5 | 57.6 | 0 | 0 | 0 | 110.2 | E633 D637 F638 | E633-N635 PolarHBondContact O-N 3.11Å; N635-D637 PolarHBondContact OD1-N 2.71Å; N635-F638 VanDerWaalsContact O-CE1 3.22Å; N635-F638 WeakPolarHBondContact O-CE1 3.39Å |
| 636 | A | 83.8 | Confident | 90.3 | Very high | 15 Ų | 15 | 78.5 Ų | 78.5 | 12% | 0.124 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -112.5 | 12.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q630 F638 L639 R644 L647 | Q630-A636 HydrophobicContact CG-CB 4.42Å; A636-F638 VanDerWaalsContact C-N 3.28Å; A636-F638 PolarHBondContact O-N 3.46Å; A636-L639 HydrophobicContact CB-CD1 4.27Å; A636-L639 WeakPolarHBondContact O-CB 3.44Å; A636-L639 PolarHBondContact O-N 3.44Å; A636-R644 HydrophobicContact CB-CG 4.4Å; A636-R644 WeakPolarHBondContact O-CD 3.42Å; A636-R644 WeakPolarHBondContact O-CG 3.41Å; A636-R644 PolarHBondContact O-NE 3.38Å; A636-L647 HydrophobicContact CB-CD1 4.21Å |
| 637 | D | 87.1 | Confident | 90.2 | Very high | 111 Ų | 111 | 78.6 Ų | 78.6 | 59% | 0.594 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -15.9 | -168.9 | -71 | -34 | 0 | 0 | 0 | 113.9 | N635 R644 | N635-D637 PolarHBondContact OD1-N 2.71Å; D637-R644 PolarHBondContact O-NH2 3.11Å; D637-R644 IonicContact OD1-NH1 2.67Å; D637-R644 PolarHBondContact OD1-NH1 2.91Å |
| 638 | F | 89.6 | Confident | 90.1 | Very high | 96 Ų | 96 | 81.4 Ų | 81.4 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.7 | 174 | 68.1 | -85.6 | 0 | 0 | 0 | 112.7 | L629 E633 N635 A636 | L629-F638 HydrophobicContact CB-CE2 4.36Å; L629-F638 HydrophobicContact CB-CZ 3.92Å; E633-F638 HydrophobicContact CB-CD1 3.98Å; E633-F638 HydrophobicContact CB-CE1 3.46Å; E633-F638 VanDerWaalsContact CB-CE1 3.46Å; E633-F638 HydrophobicContact CB-CZ 4.13Å; E633-F638 HydrophobicContact CG-CD1 4.14Å; E633-F638 HydrophobicContact CG-CE1 3.62Å; E633-F638 HydrophobicContact CG-CE2 4.49Å; E633-F638 HydrophobicContact CG-CZ 3.84Å; N635-F638 VanDerWaalsContact O-CE1 3.22Å; N635-F638 WeakPolarHBondContact O-CE1 3.39Å; A636-F638 VanDerWaalsContact C-N 3.28Å; A636-F638 PolarHBondContact O-N 3.46Å |
| 639 | L | 90.8 | Very high | 90.1 | Very high | 13 Ų | 13 | 79.5 Ų | 79.5 | 7% | 0.068 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -76.4 | 150.9 | 179 | -65.4 | 173.1 | 0 | 0 | 0 | 110.7 | L626 A636 Y643 R644 L647 | L626-L639 HydrophobicContact CD2-CD1 4.11Å; L626-L639 HydrophobicContact CD2-CD2 3.92Å; A636-L639 HydrophobicContact CB-CD1 4.27Å; A636-L639 WeakPolarHBondContact O-CB 3.44Å; A636-L639 PolarHBondContact O-N 3.44Å; L639-Y643 HydrophobicContact CD2-CD2 4.43Å; L639-R644 HydrophobicContact CB-CG 3.96Å; L639-R644 PolarHBondContact O-NE 3.24Å; L639-R644 PolarHBondContact O-NH2 2.96Å; L639-L647 HydrophobicContact CD1-CD1 3.43Å; L639-L647 VanDerWaalsContact CD1-CD1 3.43Å |
| 640 | I | 94.1 | Very high | 90.1 | Very high | 86 Ų | 86 | 76.6 Ų | 76.6 | 44% | 0.441 | 41% | 0.406 | S | S | . | . | trans | -66.4 | 153.7 | 170.4 | 59 | 171.3 | 0 | 0 | 0 | 110.5 | E642 Y643 R644 | I640-E642 HydrophobicContact CD1-CB 4.28Å; I640-E642 HydrophobicContact CG1-CB 4.45Å; I640-E642 PolarHBondContact O-N 3.29Å; I640-E642 VanDerWaalsContact O-N 3.12Å; I640-Y643 HydrophobicContact CD1-CD1 4.42Å; I640-Y643 HydrophobicContact CD1-CD2 4.14Å; I640-Y643 HydrophobicContact CD1-CE1 4.38Å; I640-Y643 HydrophobicContact CD1-CE2 4.09Å; I640-Y643 HydrophobicContact CD1-CG 4.31Å; I640-Y643 HydrophobicContact CG1-CD1 4.41Å; I640-Y643 HydrophobicContact CG1-CD2 3.74Å; I640-Y643 HydrophobicContact CG1-CE2 4.18Å; I640-Y643 HydrophobicContact CG1-CG 3.87Å; I640-Y643 PolarHBondContact O-N 2.88Å; I640-R644 PolarHBondContact O-N 3.26Å | ||
| 641 | P | 92.7 | Very high | 90.1 | Very high | 103 Ų | 103 | 76.5 Ų | 76.5 | 67% | 0.669 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -53.9 | -35.2 | -176 | -28.3 | 35.6 | 0 | 0 | 0 | 114.5 | Y643 R644 S645 | P641-Y643 PolarHBondContact O-N 2.93Å; P641-R644 PolarHBondContact O-N 2.8Å; P641-S645 PolarHBondContact O-N 3.02Å |
| 642 | E | 91.7 | Very high | 90.1 | Very high | 124 Ų | 124 | 75.8 Ų | 75.8 | 58% | 0.579 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.9 | -45.6 | 177.3 | -175 | 179.8 | 179.2 | 0 | 0 | 112.4 | I640 S645 I646 | I640-E642 HydrophobicContact CD1-CB 4.28Å; I640-E642 HydrophobicContact CG1-CB 4.45Å; I640-E642 PolarHBondContact O-N 3.29Å; I640-E642 VanDerWaalsContact O-N 3.12Å; E642-S645 PolarHBondContact O-N 2.77Å; E642-I646 WeakPolarHBondContact O-CG1 3.48Å; E642-I646 PolarHBondContact O-N 2.75Å; E642-I646 VanDerWaalsContact O-N 3.15Å |
| 643 | Y | 92.9 | Very high | 90.2 | Very high | 84 Ų | 84 | 68.9 Ų | 68.9 | 33% | 0.329 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74 | -28.7 | 179 | -66.6 | -12.7 | 0 | 0 | 0 | 112.7 | L622 L626 L639 I640 P641 I646 L647 | L622-Y643 HydrophobicContact CD1-CE1 3.99Å; L626-Y643 HydrophobicContact CD1-CD1 4.45Å; L626-Y643 HydrophobicContact CD1-CG 4.2Å; L626-Y643 HydrophobicContact CD2-CD2 3.9Å; L626-Y643 HydrophobicContact CD2-CG 3.96Å; L639-Y643 HydrophobicContact CD2-CD2 4.43Å; I640-Y643 HydrophobicContact CD1-CD1 4.42Å; I640-Y643 HydrophobicContact CD1-CD2 4.14Å; I640-Y643 HydrophobicContact CD1-CE1 4.38Å; I640-Y643 HydrophobicContact CD1-CE2 4.09Å; I640-Y643 HydrophobicContact CD1-CG 4.31Å; I640-Y643 HydrophobicContact CG1-CD1 4.41Å; I640-Y643 HydrophobicContact CG1-CD2 3.74Å; I640-Y643 HydrophobicContact CG1-CE2 4.18Å; I640-Y643 HydrophobicContact CG1-CG 3.87Å; I640-Y643 PolarHBondContact O-N 2.88Å; P641-Y643 PolarHBondContact O-N 2.93Å; Y643-I646 HydrophobicContact CD1-CD1 4.13Å; Y643-I646 PolarHBondContact O-N 3.2Å; Y643-L647 PolarHBondContact O-N 3.3Å; Y643-L647 VanDerWaalsContact O-N 3.08Å |
| 644 | R | 90.9 | Very high | 90.4 | Very high | 77 Ų | 77 | 65.9 Ų | 65.9 | 29% | 0.291 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 170.9 | -63.5 | -173.6 | -143 | -170.1 | 1.7 | 111.1 | A636 D637 L639 I640 P641 I646 L647 D648 | A636-R644 HydrophobicContact CB-CG 4.4Å; A636-R644 WeakPolarHBondContact O-CD 3.42Å; A636-R644 WeakPolarHBondContact O-CG 3.41Å; A636-R644 PolarHBondContact O-NE 3.38Å; D637-R644 PolarHBondContact O-NH2 3.11Å; D637-R644 IonicContact OD1-NH1 2.67Å; D637-R644 PolarHBondContact OD1-NH1 2.91Å; L639-R644 HydrophobicContact CB-CG 3.96Å; L639-R644 PolarHBondContact O-NE 3.24Å; L639-R644 PolarHBondContact O-NH2 2.96Å; I640-R644 PolarHBondContact O-N 3.26Å; P641-R644 PolarHBondContact O-N 2.8Å; R644-I646 VanDerWaalsContact C-N 3.29Å; R644-I646 PolarHBondContact O-N 3.4Å; R644-L647 WeakPolarHBondContact O-CA 3.48Å; R644-L647 WeakPolarHBondContact O-CB 3.4Å; R644-L647 PolarHBondContact O-N 3.5Å; R644-D648 PolarHBondContact O-N 2.94Å |
| 645 | S | 92.4 | Very high | 90.6 | Very high | 43 Ų | 43 | 67 Ų | 67 | 30% | 0.301 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.8 | -41.1 | 175 | 163.8 | 0 | 0 | 0 | 0 | 111.9 | P641 E642 L647 D648 E649 | P641-S645 PolarHBondContact O-N 3.02Å; E642-S645 PolarHBondContact O-N 2.77Å; S645-L647 VanDerWaalsContact C-N 3.34Å; S645-L647 PolarHBondContact O-N 2.78Å; S645-D648 PolarHBondContact O-N 3.33Å; S645-E649 WeakPolarHBondContact O-CB 3.32Å; S645-E649 WeakPolarHBondContact O-CG 3.36Å; S645-E649 PolarHBondContact O-N 2.87Å; S645-E649 PolarHBondContact OG-OE1 2.9Å |
| 646 | I | 92.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -39.9 | 174.4 | -65.8 | 171 | 0 | 0 | 0 | 112 | K619 L622 I623 L626 E642 Y643 R644 S650 L653 | K619-I646 HydrophobicContact CB-CD1 4.25Å; K619-I646 HydrophobicContact CB-CG1 4.41Å; K619-I646 HydrophobicContact CD-CG1 4.26Å; K619-I646 HydrophobicContact CG-CD1 3.9Å; K619-I646 HydrophobicContact CG-CG1 4.14Å; L622-I646 HydrophobicContact CD1-CD1 4.43Å; I623-I646 HydrophobicContact CG1-CG2 3.75Å; L626-I646 HydrophobicContact CD1-CB 4.23Å; L626-I646 HydrophobicContact CD1-CG2 4.01Å; E642-I646 WeakPolarHBondContact O-CG1 3.48Å; E642-I646 PolarHBondContact O-N 2.75Å; E642-I646 VanDerWaalsContact O-N 3.15Å; Y643-I646 HydrophobicContact CD1-CD1 4.13Å; Y643-I646 PolarHBondContact O-N 3.2Å; R644-I646 VanDerWaalsContact C-N 3.29Å; R644-I646 PolarHBondContact O-N 3.4Å; I646-S650 VanDerWaalsContact O-CA 3.31Å; I646-S650 WeakPolarHBondContact O-CA 3.48Å; I646-S650 WeakPolarHBondContact O-CB 3.5Å; I646-S650 PolarHBondContact O-N 2.89Å; I646-L653 HydrophobicContact CG2-CD1 4.11Å |
| 647 | L | 90.7 | Very high | 91.2 | Very high | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 176.5 | -81.2 | 175.1 | 0 | 0 | 0 | 111.9 | L626 K627 Q630 A636 L639 Y643 R644 S645 E649 S650 | L626-L647 HydrophobicContact CB-CD1 4.1Å; L626-L647 HydrophobicContact CB-CD2 3.6Å; L626-L647 HydrophobicContact CB-CG 3.79Å; L626-L647 HydrophobicContact CD1-CG 4.43Å; K627-L647 HydrophobicContact CB-CD2 4.48Å; K627-L647 HydrophobicContact CG-CD2 3.71Å; Q630-L647 HydrophobicContact CB-CD1 4.35Å; A636-L647 HydrophobicContact CB-CD1 4.21Å; L639-L647 HydrophobicContact CD1-CD1 3.43Å; L639-L647 VanDerWaalsContact CD1-CD1 3.43Å; Y643-L647 PolarHBondContact O-N 3.3Å; Y643-L647 VanDerWaalsContact O-N 3.08Å; R644-L647 WeakPolarHBondContact O-CA 3.48Å; R644-L647 WeakPolarHBondContact O-CB 3.4Å; R644-L647 PolarHBondContact O-N 3.5Å; S645-L647 VanDerWaalsContact C-N 3.34Å; S645-L647 PolarHBondContact O-N 2.78Å; L647-E649 VanDerWaalsContact C-N 3.28Å; L647-E649 PolarHBondContact O-N 3.36Å; L647-S650 VanDerWaalsContact O-CB 3.24Å; L647-S650 WeakPolarHBondContact O-CB 3.39Å; L647-S650 PolarHBondContact O-N 3.36Å; L647-S650 PolarHBondContact O-OG 3.41Å |
| 648 | D | 91.3 | Very high | 91.2 | Very high | 132 Ų | 132 | 73 Ų | 73 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.7 | -38.9 | -179.9 | -65.2 | -24.4 | 0 | 0 | 0 | 111 | R644 S645 | R644-D648 PolarHBondContact O-N 2.94Å; S645-D648 PolarHBondContact O-N 3.33Å |
| 649 | E | 92.7 | Very high | 91 | Very high | 86 Ų | 86 | 73.5 Ų | 73.5 | 40% | 0.402 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 5.8 | 179.7 | -65.4 | 171.7 | -163.5 | 0 | 0 | 113.9 | S645 L647 A651 N652 L653 | S645-E649 WeakPolarHBondContact O-CB 3.32Å; S645-E649 WeakPolarHBondContact O-CG 3.36Å; S645-E649 PolarHBondContact O-N 2.87Å; S645-E649 PolarHBondContact OG-OE1 2.9Å; L647-E649 VanDerWaalsContact C-N 3.28Å; L647-E649 PolarHBondContact O-N 3.36Å; E649-A651 VanDerWaalsContact C-N 3.26Å; E649-A651 PolarHBondContact O-N 2.88Å; E649-A651 VanDerWaalsContact O-N 3.09Å; E649-N652 PolarHBondContact O-N 3.4Å; E649-L653 HydrophobicContact CB-CD1 4.22Å; E649-L653 HydrophobicContact CB-CG 4.26Å; E649-L653 PolarHBondContact O-N 2.92Å |
| 650 | S | 92.2 | Very high | 91 | Very high | 14 Ų | 14 | 73.2 Ų | 73.2 | 10% | 0.098 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.9 | -34.2 | -167.2 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | K627 I646 L647 L654 | K627-S650 WeakPolarHBondContact CE-OG 3.22Å; I646-S650 VanDerWaalsContact O-CA 3.31Å; I646-S650 WeakPolarHBondContact O-CA 3.48Å; I646-S650 WeakPolarHBondContact O-CB 3.5Å; I646-S650 PolarHBondContact O-N 2.89Å; L647-S650 VanDerWaalsContact O-CB 3.24Å; L647-S650 WeakPolarHBondContact O-CB 3.39Å; L647-S650 PolarHBondContact O-N 3.36Å; L647-S650 PolarHBondContact O-OG 3.41Å; S650-L654 WeakPolarHBondContact O-CB 3.42Å; S650-L654 WeakPolarHBondContact O-CD1 3.49Å; S650-L654 VanDerWaalsContact O-CG 3.24Å; S650-L654 WeakPolarHBondContact O-CG 3.37Å; S650-L654 PolarHBondContact O-N 3.46Å; S650-L654 VanDerWaalsContact O-N 3.09Å |
| 651 | A | 91.2 | Very high | 90.7 | Very high | 70 Ų | 70 | 72.3 Ų | 72.3 | 58% | 0.579 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.9 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E649 L654 E655 | E649-A651 VanDerWaalsContact C-N 3.26Å; E649-A651 PolarHBondContact O-N 2.88Å; E649-A651 VanDerWaalsContact O-N 3.09Å; A651-L654 PolarHBondContact O-N 2.96Å; A651-E655 PolarHBondContact O-N 3.23Å; A651-E655 VanDerWaalsContact O-N 3.12Å |
| 652 | N | 91.1 | Very high | 90.4 | Very high | 103 Ų | 103 | 69.3 Ų | 69.3 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.4 | -44.7 | 179.9 | -65.1 | -13.1 | 0 | 0 | 0 | 110.8 | E649 L654 E655 E656 | E649-N652 PolarHBondContact O-N 3.4Å; N652-L654 VanDerWaalsContact C-N 3.33Å; N652-L654 PolarHBondContact O-N 2.96Å; N652-E655 PolarHBondContact O-N 3.08Å; N652-E655 VanDerWaalsContact O-N 3.11Å; N652-E656 PolarHBondContact O-N 2.73Å |
| 653 | L | 92 | Very high | 90.2 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 178 | -66.7 | 173.5 | 0 | 0 | 0 | 111.9 | L616 K619 V620 I623 I646 E649 E655 E656 Y657 | L616-L653 HydrophobicContact CD1-CB 4.16Å; L616-L653 HydrophobicContact CD1-CD2 3.6Å; L616-L653 HydrophobicContact CD1-CG 4.49Å; K619-L653 HydrophobicContact CB-CD1 4.3Å; K619-L653 HydrophobicContact CD-CD1 4.33Å; K619-L653 HydrophobicContact CD-CD2 4.29Å; V620-L653 HydrophobicContact CG2-CB 4.21Å; I623-L653 HydrophobicContact CD1-CB 4.01Å; I623-L653 HydrophobicContact CD1-CD1 4.34Å; I646-L653 HydrophobicContact CG2-CD1 4.11Å; E649-L653 HydrophobicContact CB-CD1 4.22Å; E649-L653 HydrophobicContact CB-CG 4.26Å; E649-L653 PolarHBondContact O-N 2.92Å; L653-E655 VanDerWaalsContact C-N 3.33Å; L653-E655 PolarHBondContact O-N 2.91Å; L653-E656 PolarHBondContact O-N 3.22Å; L653-Y657 VanDerWaalsContact O-CB 3.26Å; L653-Y657 WeakPolarHBondContact O-CB 3.3Å; L653-Y657 PolarHBondContact O-N 2.68Å |
| 654 | L | 91.6 | Very high | 90 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 32% | 0.319 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 175.8 | -76.1 | 168.6 | 0 | 0 | 0 | 112.5 | V620 I623 S650 A651 N652 K658 | V620-L654 HydrophobicContact CG1-CD2 3.89Å; I623-L654 HydrophobicContact CD1-CD2 4.35Å; I623-L654 HydrophobicContact CD1-CG 3.98Å; I623-L654 HydrophobicContact CG2-CD1 4.4Å; S650-L654 WeakPolarHBondContact O-CB 3.42Å; S650-L654 WeakPolarHBondContact O-CD1 3.49Å; S650-L654 VanDerWaalsContact O-CG 3.24Å; S650-L654 WeakPolarHBondContact O-CG 3.37Å; S650-L654 PolarHBondContact O-N 3.46Å; S650-L654 VanDerWaalsContact O-N 3.09Å; A651-L654 PolarHBondContact O-N 2.96Å; N652-L654 VanDerWaalsContact C-N 3.33Å; N652-L654 PolarHBondContact O-N 2.96Å; L654-K658 WeakPolarHBondContact O-CG 3.41Å; L654-K658 PolarHBondContact O-N 3.41Å |
| 655 | E | 87.9 | Confident | 89.9 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69 | -44.9 | 176.5 | -161.5 | -161 | 136 | 0 | 0 | 111.9 | A651 N652 L653 Y657 K658 K659 | A651-E655 PolarHBondContact O-N 3.23Å; A651-E655 VanDerWaalsContact O-N 3.12Å; N652-E655 PolarHBondContact O-N 3.08Å; N652-E655 VanDerWaalsContact O-N 3.11Å; L653-E655 VanDerWaalsContact C-N 3.33Å; L653-E655 PolarHBondContact O-N 2.91Å; E655-Y657 VanDerWaalsContact C-N 3.32Å; E655-Y657 PolarHBondContact O-N 2.93Å; E655-K658 WeakPolarHBondContact O-CB 3.25Å; E655-K658 PolarHBondContact O-N 3.17Å; E655-K659 IonicContact OE1-NZ 3.64Å; E655-K659 PolarHBondContact OE1-NZ 2.88Å; E655-K659 VanDerWaalsContact OE1-NZ 3.1Å |
| 656 | E | 87.8 | Confident | 89.8 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 175.9 | -71.6 | -171.1 | -172.8 | 0 | 0 | 112 | Y612 L616 N652 L653 K658 K659 Q660 | Y612-E656 PolarHBondContact OH-OE2 3.2Å; L616-E656 HydrophobicContact CD1-CB 4.39Å; L616-E656 HydrophobicContact CD2-CB 3.82Å; N652-E656 PolarHBondContact O-N 2.73Å; L653-E656 PolarHBondContact O-N 3.22Å; E656-K658 PolarHBondContact O-N 2.79Å; E656-K659 WeakPolarHBondContact O-CA 3.5Å; E656-K659 WeakPolarHBondContact O-CB 3.19Å; E656-K659 PolarHBondContact O-N 2.81Å; E656-Q660 PolarHBondContact O-N 3.08Å; E656-Q660 VanDerWaalsContact O-N 3.1Å |
| 657 | Y | 91.7 | Very high | 89.8 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.2 | -29.9 | 179.4 | -172 | -106.2 | 0 | 0 | 0 | 113.1 | L616 A617 V620 L653 E655 K659 Q660 P661 | L616-Y657 HydrophobicContact CG-CD2 4.43Å; A617-Y657 HydrophobicContact CB-CE2 3.94Å; V620-Y657 HydrophobicContact CB-CD2 4.08Å; V620-Y657 HydrophobicContact CB-CE2 4.45Å; V620-Y657 HydrophobicContact CB-CG 4.15Å; V620-Y657 HydrophobicContact CG1-CD1 3.84Å; V620-Y657 HydrophobicContact CG1-CD2 4.22Å; V620-Y657 HydrophobicContact CG1-CE1 4.16Å; V620-Y657 HydrophobicContact CG1-CG 3.88Å; V620-Y657 HydrophobicContact CG2-CD2 3.95Å; V620-Y657 HydrophobicContact CG2-CG 3.89Å; L653-Y657 VanDerWaalsContact O-CB 3.26Å; L653-Y657 WeakPolarHBondContact O-CB 3.3Å; L653-Y657 PolarHBondContact O-N 2.68Å; E655-Y657 VanDerWaalsContact C-N 3.32Å; E655-Y657 PolarHBondContact O-N 2.93Å; Y657-K659 PolarHBondContact O-N 3.41Å; Y657-Q660 HydrophobicContact CD2-CB 4.37Å; Y657-Q660 WeakPolarHBondContact O-CB 3.45Å; Y657-Q660 PolarHBondContact O-N 3.25Å; Y657-P661 WeakPolarHBondContact O-CD 3.13Å |
| 658 | K | 88.2 | Confident | 89.9 | Confident | 168 Ų | 168 | 64.4 Ų | 64.4 | 73% | 0.73 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60 | -31 | 172.5 | -67 | 172.5 | -176.2 | 176.6 | 0 | 112.4 | L654 E655 E656 | L654-K658 WeakPolarHBondContact O-CG 3.41Å; L654-K658 PolarHBondContact O-N 3.41Å; E655-K658 WeakPolarHBondContact O-CB 3.25Å; E655-K658 PolarHBondContact O-N 3.17Å; E656-K658 PolarHBondContact O-N 2.79Å |
| 659 | K | 85.2 | Confident | 90 | Very high | 105 Ų | 105 | 59.5 Ų | 59.5 | 46% | 0.457 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -91.9 | -19.9 | -178.2 | -60.5 | 167.1 | -174.2 | 157.7 | 0 | 111.9 | E655 E656 Y657 A662 H663 | E655-K659 IonicContact OE1-NZ 3.64Å; E655-K659 PolarHBondContact OE1-NZ 2.88Å; E655-K659 VanDerWaalsContact OE1-NZ 3.1Å; E656-K659 WeakPolarHBondContact O-CA 3.5Å; E656-K659 WeakPolarHBondContact O-CB 3.19Å; E656-K659 PolarHBondContact O-N 2.81Å; Y657-K659 PolarHBondContact O-N 3.41Å; K659-A662 PolarHBondContact O-N 3.41Å; K659-H663 PolarHBondContact O-CD2 3.39Å; K659-H663 PolarHBondContact O-N 3.44Å |
| 660 | Q | 90.1 | Very high | 90 | Very high | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.4 | -47.8 | -174.4 | 175.3 | -158.4 | 76.8 | 0 | 0 | 114.5 | Q613 L616 E656 Y657 A662 H663 L664 | Q613-Q660 HydrophobicContact CB-CG 4.3Å; Q613-Q660 PolarHBondContact O-NE2 3.35Å; L616-Q660 HydrophobicContact CD2-CB 4.19Å; E656-Q660 PolarHBondContact O-N 3.08Å; E656-Q660 VanDerWaalsContact O-N 3.1Å; Y657-Q660 HydrophobicContact CD2-CB 4.37Å; Y657-Q660 WeakPolarHBondContact O-CB 3.45Å; Y657-Q660 PolarHBondContact O-N 3.25Å; Q660-A662 VanDerWaalsContact C-N 3.27Å; Q660-A662 PolarHBondContact O-N 3.41Å; Q660-H663 WeakPolarHBondContact O-CA 3.34Å; Q660-H663 WeakPolarHBondContact O-CB 3.23Å; Q660-H663 PolarHBondContact O-N 3.33Å; Q660-L664 HydrophobicContact CG-CD1 3.85Å; Q660-L664 HydrophobicContact CG-CG 4.13Å; Q660-L664 PolarHBondContact O-N 3.08Å |
| 661 | P | 87.9 | Confident | 90.1 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.2 | -44.5 | -175.7 | -27.8 | 35.3 | 0 | 0 | 0 | 112.4 | Y657 H663 L664 D665 | Y657-P661 WeakPolarHBondContact O-CD 3.13Å; P661-H663 VanDerWaalsContact C-N 3.31Å; P661-H663 PolarHBondContact O-N 3.04Å; P661-L664 PolarHBondContact O-N 3.2Å; P661-D665 PolarHBondContact O-N 3Å |
| 662 | A | 86.1 | Confident | 90.3 | Very high | 39 Ų | 39 | 54 Ų | 54 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.1 | -28 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R456 K659 Q660 R666 | R456-A662 VanDerWaalsContact NH1-CB 3.25Å; K659-A662 PolarHBondContact O-N 3.41Å; Q660-A662 VanDerWaalsContact C-N 3.27Å; Q660-A662 PolarHBondContact O-N 3.41Å; A662-R666 WeakPolarHBondContact O-CB 3.43Å; A662-R666 PolarHBondContact O-N 3.3Å |
| 663 | H | 86.8 | Confident | 90.3 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 20% | 0.199 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.7 | -41.2 | 172 | -73.6 | -63.6 | 0 | 0 | 0 | 112 | Q613 K659 Q660 P661 R666 L667 | Q613-H663 HydrophobicContact CG-CB 4.41Å; K659-H663 PolarHBondContact O-CD2 3.39Å; K659-H663 PolarHBondContact O-N 3.44Å; Q660-H663 WeakPolarHBondContact O-CA 3.34Å; Q660-H663 WeakPolarHBondContact O-CB 3.23Å; Q660-H663 PolarHBondContact O-N 3.33Å; P661-H663 VanDerWaalsContact C-N 3.31Å; P661-H663 PolarHBondContact O-N 3.04Å; H663-R666 PolarHBondContact O-N 2.91Å; H663-L667 WeakPolarHBondContact O-CG 3.17Å; H663-L667 PolarHBondContact O-N 3.39Å |
| 664 | L | 89.9 | Confident | 90.5 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -48.8 | 176.2 | -77.9 | 175.8 | 0 | 0 | 0 | 111.6 | L610 Q613 L614 Q660 P661 R666 L667 Y668 | L610-L664 HydrophobicContact CD1-CD2 3.6Å; Q613-L664 HydrophobicContact CB-CD2 3.48Å; Q613-L664 VanDerWaalsContact CB-CD2 3.48Å; Q613-L664 HydrophobicContact CB-CG 3.9Å; Q613-L664 HydrophobicContact CG-CD2 4.23Å; Q613-L664 HydrophobicContact CG-CG 4.48Å; L614-L664 HydrophobicContact CD2-CD2 4.42Å; Q660-L664 HydrophobicContact CG-CD1 3.85Å; Q660-L664 HydrophobicContact CG-CG 4.13Å; Q660-L664 PolarHBondContact O-N 3.08Å; P661-L664 PolarHBondContact O-N 3.2Å; L664-R666 PolarHBondContact O-N 3.08Å; L664-L667 PolarHBondContact O-N 2.58Å; L664-Y668 PolarHBondContact O-N 2.95Å |
| 665 | D | 88.9 | Confident | 90.6 | Very high | 111 Ų | 111 | 49.3 Ų | 49.3 | 59% | 0.594 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -56.8 | -40.9 | 177.7 | -72.5 | -21 | 0 | 0 | 0 | 111.5 | P661 Y668 G669 | P661-D665 PolarHBondContact O-N 3Å; D665-Y668 PolarHBondContact O-N 2.83Å; D665-G669 PolarHBondContact O-N 3.01Å |
| 666 | R | 90.1 | Very high | 90.8 | Very high | 26 Ų | 26 | 47.3 Ų | 47.3 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 175.4 | -177.1 | 175.7 | -179.7 | 168.9 | 1.3 | 112.3 | A389 F546 A662 H663 L664 G669 M670 | A389-R666 PolarHBondContact O-NH1 3.28Å; A389-R666 PolarHBondContact O-NH2 3.41Å; F546-R666 HydrophobicContact CE1-CG 4.23Å; F546-R666 HydrophobicContact CZ-CG 4.14Å; A662-R666 WeakPolarHBondContact O-CB 3.43Å; A662-R666 PolarHBondContact O-N 3.3Å; H663-R666 PolarHBondContact O-N 2.91Å; L664-R666 PolarHBondContact O-N 3.08Å; R666-G669 PolarHBondContact O-N 3.33Å; R666-M670 HydrophobicContact CG-CE 3.8Å; R666-M670 HydrophobicContact CG-SD 4.45Å; R666-M670 WeakPolarHBondContact O-CG 3.41Å; R666-M670 PolarHBondContact O-N 3Å |
| 667 | L | 92.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 177.5 | -71.2 | 167.3 | 0 | 0 | 0 | 111.1 | F546 I606 K609 L610 Q613 H663 L664 M670 I671 | F546-L667 HydrophobicContact CE1-CD2 3.65Å; F546-L667 HydrophobicContact CE1-CG 4.35Å; F546-L667 HydrophobicContact CZ-CD2 3.86Å; F546-L667 HydrophobicContact CZ-CG 4.2Å; I606-L667 HydrophobicContact CG2-CD2 4.15Å; K609-L667 HydrophobicContact CB-CD1 4.33Å; K609-L667 HydrophobicContact CB-CD2 4.29Å; L610-L667 HydrophobicContact CB-CD1 4.31Å; L610-L667 HydrophobicContact CD1-CB 4.23Å; L610-L667 HydrophobicContact CD1-CD1 3.97Å; Q613-L667 HydrophobicContact CG-CD1 4.25Å; H663-L667 WeakPolarHBondContact O-CG 3.17Å; H663-L667 PolarHBondContact O-N 3.39Å; L664-L667 PolarHBondContact O-N 2.58Å; L667-M670 PolarHBondContact O-N 3.18Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.36Å; L667-I671 PolarHBondContact O-N 2.69Å |
| 668 | Y | 93.3 | Very high | 91.1 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 13% | 0.129 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.9 | -72.7 | 2.1 | 0 | 0 | 0 | 111.9 | L610 L664 D665 I671 T672 L697 | L610-Y668 HydrophobicContact CD1-CD1 4.17Å; L610-Y668 HydrophobicContact CD1-CE1 3.65Å; L610-Y668 HydrophobicContact CD2-CE1 4.4Å; L664-Y668 PolarHBondContact O-N 2.95Å; D665-Y668 PolarHBondContact O-N 2.83Å; Y668-I671 PolarHBondContact O-N 3.21Å; Y668-T672 WeakPolarHBondContact O-CB 3.48Å; Y668-T672 PolarHBondContact O-N 3.32Å; Y668-T672 PolarHBondContact O-OG1 3.16Å; Y668-L697 HydrophobicContact CD1-CB 4.26Å; Y668-L697 HydrophobicContact CD1-CD1 3.75Å; Y668-L697 HydrophobicContact CD1-CG 4.43Å; Y668-L697 HydrophobicContact CE1-CB 3.75Å; Y668-L697 HydrophobicContact CE1-CD1 4.11Å; Y668-L697 HydrophobicContact CE1-CD2 4.43Å; Y668-L697 HydrophobicContact CE1-CG 4.31Å; Y668-L697 HydrophobicContact CE2-CB 4.41Å; Y668-L697 HydrophobicContact CG-CD1 4.07Å; Y668-L697 PolarHBondContact OH-O 2.87Å |
| 669 | G | 91.9 | Very high | 91.2 | Very high | 29 Ų | 29 | 33.6 Ų | 33.6 | 30% | 0.299 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.7 | -50.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D665 R666 I671 T672 D673 | D665-G669 PolarHBondContact O-N 3.01Å; R666-G669 PolarHBondContact O-N 3.33Å; G669-I671 PolarHBondContact O-N 2.71Å; G669-T672 WeakPolarHBondContact O-CB 3.33Å; G669-T672 PolarHBondContact O-N 2.88Å; G669-T672 VanDerWaalsContact O-N 3.14Å; G669-D673 PolarHBondContact O-N 3.26Å |
| 670 | M | 93.5 | Very high | 91.5 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 16% | 0.163 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 179.4 | -71.3 | 177.5 | -179.7 | 0 | 0 | 113.4 | L490 F546 L547 R666 L667 T672 D673 L674 | L490-M670 HydrophobicContact CD1-CE 4.12Å; F546-M670 HydrophobicContact CD1-CE 3.4Å; F546-M670 HydrophobicContact CD1-SD 3.34Å; F546-M670 WeakPolarHBondContact CD1-SD 3.34Å; F546-M670 HydrophobicContact CE1-CE 3.74Å; F546-M670 HydrophobicContact CE1-SD 3.38Å; F546-M670 WeakPolarHBondContact CE1-SD 3.31Å; F546-M670 HydrophobicContact CG-CE 4.16Å; L547-M670 HydrophobicContact CD1-SD 4.11Å; L547-M670 HydrophobicContact CD2-SD 3.91Å; L547-M670 HydrophobicContact CG-SD 4.09Å; R666-M670 HydrophobicContact CG-CE 3.8Å; R666-M670 HydrophobicContact CG-SD 4.45Å; R666-M670 WeakPolarHBondContact O-CG 3.41Å; R666-M670 PolarHBondContact O-N 3Å; L667-M670 PolarHBondContact O-N 3.18Å; M670-T672 VanDerWaalsContact C-N 3.31Å; M670-D673 PolarHBondContact O-N 3.29Å; M670-L674 VanDerWaalsContact O-CB 3.27Å; M670-L674 WeakPolarHBondContact O-CB 3.42Å; M670-L674 PolarHBondContact O-N 3.29Å |
| 671 | I | 94.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 175.5 | -63.9 | 166.9 | 0 | 0 | 0 | 110.2 | L603 I606 L610 L667 Y668 G669 L674 L675 M693 L697 L705 F709 | L603-I671 HydrophobicContact CD2-CG2 4.35Å; I606-I671 HydrophobicContact CD1-CG1 4.1Å; I606-I671 HydrophobicContact CG2-CD1 3.92Å; I606-I671 HydrophobicContact CG2-CG1 4.08Å; L610-I671 HydrophobicContact CD2-CD1 4.12Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.36Å; L667-I671 PolarHBondContact O-N 2.69Å; Y668-I671 PolarHBondContact O-N 3.21Å; G669-I671 PolarHBondContact O-N 2.71Å; I671-L674 WeakPolarHBondContact O-CB 3.34Å; I671-L674 PolarHBondContact O-N 3.44Å; I671-L675 PolarHBondContact O-N 2.98Å; I671-M693 HydrophobicContact CG2-CE 4.15Å; I671-M693 HydrophobicContact CG2-SD 3.78Å; I671-L697 HydrophobicContact CB-CD1 4.48Å; I671-L697 HydrophobicContact CD1-CD1 4.31Å; I671-L697 HydrophobicContact CD1-CD2 3.77Å; I671-L697 HydrophobicContact CG2-CD1 4.28Å; I671-L697 HydrophobicContact CG2-CD2 4.46Å; I671-L705 HydrophobicContact CG2-CD2 4.45Å; I671-F709 HydrophobicContact CG2-CE2 4.04Å; I671-F709 HydrophobicContact CG2-CZ 3.9Å |
| 672 | T | 93.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 34 Ų | 34 | 13% | 0.129 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 177.1 | -58 | 0 | 0 | 0 | 0 | 111.3 | Y668 G669 M670 L674 L675 I676 V690 M693 | Y668-T672 WeakPolarHBondContact O-CB 3.48Å; Y668-T672 PolarHBondContact O-N 3.32Å; Y668-T672 PolarHBondContact O-OG1 3.16Å; G669-T672 WeakPolarHBondContact O-CB 3.33Å; G669-T672 PolarHBondContact O-N 2.88Å; G669-T672 VanDerWaalsContact O-N 3.14Å; M670-T672 VanDerWaalsContact C-N 3.31Å; T672-L674 VanDerWaalsContact C-N 3.35Å; T672-L675 WeakPolarHBondContact O-CB 3.33Å; T672-L675 PolarHBondContact O-N 3.26Å; T672-I676 HydrophobicContact CG2-CD1 3.96Å; T672-I676 WeakPolarHBondContact O-CG1 3.31Å; T672-I676 PolarHBondContact O-N 3.45Å; T672-V690 HydrophobicContact CG2-CG1 3.75Å; T672-V690 HydrophobicContact CG2-CG2 4.09Å; T672-M693 HydrophobicContact CG2-CE 4.4Å; T672-M693 WeakPolarHBondContact OG1-CE 3.48Å |
| 673 | D | 93 | Very high | 91.5 | Very high | 72 Ų | 72 | 35.7 Ų | 35.7 | 39% | 0.385 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.6 | -70.7 | -27 | 0 | 0 | 0 | 111 | G669 M670 L675 I676 D677 | G669-D673 PolarHBondContact O-N 3.26Å; M670-D673 PolarHBondContact O-N 3.29Å; D673-L675 VanDerWaalsContact C-N 3.29Å; D673-L675 PolarHBondContact O-N 3.14Å; D673-I676 PolarHBondContact O-N 3.41Å; D673-I676 VanDerWaalsContact O-N 3.16Å; D673-D677 WeakPolarHBondContact O-CB 3.14Å; D673-D677 PolarHBondContact O-N 3.43Å |
| 674 | L | 94.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.8 | -42.7 | 174.9 | -171.4 | 71.2 | 0 | 0 | 0 | 112.1 | I567 S568 V599 T602 L603 M670 I671 T672 K678 F709 | I567-L674 HydrophobicContact CG2-CD1 3.46Å; I567-L674 VanDerWaalsContact CG2-CD1 3.46Å; I567-L674 HydrophobicContact CG2-CG 4.5Å; S568-L674 WeakPolarHBondContact OG-CA 3.23Å; S568-L674 PolarHBondContact OG-N 3.48Å; V599-L674 HydrophobicContact CG1-CD2 4.3Å; T602-L674 HydrophobicContact CG2-CD1 4.24Å; T602-L674 HydrophobicContact CG2-CD2 4Å; L603-L674 HydrophobicContact CD2-CD2 3.9Å; L603-L674 HydrophobicContact CG-CD2 4Å; M670-L674 VanDerWaalsContact O-CB 3.27Å; M670-L674 WeakPolarHBondContact O-CB 3.42Å; M670-L674 PolarHBondContact O-N 3.29Å; I671-L674 WeakPolarHBondContact O-CB 3.34Å; I671-L674 PolarHBondContact O-N 3.44Å; T672-L674 VanDerWaalsContact C-N 3.35Å; L674-K678 WeakPolarHBondContact O-CB 3.43Å; L674-K678 PolarHBondContact O-N 2.73Å; L674-F709 HydrophobicContact CB-CE1 4.46Å; L674-F709 HydrophobicContact CD2-CE1 4.23Å; L674-F709 HydrophobicContact CG-CE1 4.18Å |
| 675 | L | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.6 | -52.1 | 175.2 | -174.8 | 75.7 | 0 | 0 | 0 | 110.7 | I671 T672 D673 D677 K678 F679 V686 M693 F708 F709 | I671-L675 PolarHBondContact O-N 2.98Å; T672-L675 WeakPolarHBondContact O-CB 3.33Å; T672-L675 PolarHBondContact O-N 3.26Å; D673-L675 VanDerWaalsContact C-N 3.29Å; D673-L675 PolarHBondContact O-N 3.14Å; L675-D677 VanDerWaalsContact C-N 3.31Å; L675-D677 PolarHBondContact O-N 3.07Å; L675-K678 PolarHBondContact O-N 2.65Å; L675-F679 HydrophobicContact CD1-CD2 4.04Å; L675-F679 HydrophobicContact CD1-CE2 3.64Å; L675-F679 HydrophobicContact CG-CD2 4.26Å; L675-F679 HydrophobicContact CG-CE2 4.33Å; L675-F679 VanDerWaalsContact O-CD2 3.31Å; L675-F679 WeakPolarHBondContact O-CD2 3.4Å; L675-F679 PolarHBondContact O-N 3.47Å; L675-V686 HydrophobicContact CG-CG2 4.34Å; L675-M693 HydrophobicContact CB-SD 4.08Å; L675-M693 HydrophobicContact CD2-CB 4.43Å; L675-M693 HydrophobicContact CD2-SD 3.75Å; L675-M693 HydrophobicContact CG-SD 4.38Å; L675-F708 HydrophobicContact CD1-CD1 4.38Å; L675-F708 HydrophobicContact CD1-CE1 4.08Å; L675-F708 HydrophobicContact CD2-CE1 4.01Å; L675-F709 HydrophobicContact CB-CE1 3.82Å; L675-F709 HydrophobicContact CB-CE2 4.45Å; L675-F709 HydrophobicContact CB-CZ 3.67Å; L675-F709 HydrophobicContact CD1-CD1 3.86Å; L675-F709 HydrophobicContact CD1-CD2 4.07Å; L675-F709 HydrophobicContact CD1-CE1 3.75Å; L675-F709 HydrophobicContact CD1-CE2 3.94Å; L675-F709 HydrophobicContact CD1-CG 4.06Å; L675-F709 HydrophobicContact CD1-CZ 3.8Å; L675-F709 HydrophobicContact CG-CE1 4.43Å; L675-F709 HydrophobicContact CG-CZ 4.35Å |
| 676 | I | 92.7 | Very high | 91.3 | Very high | 48 Ų | 48 | 38.1 Ų | 38.1 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | -177.7 | -68.3 | 168 | 0 | 0 | 0 | 110.3 | T672 D673 F679 K680 | T672-I676 HydrophobicContact CG2-CD1 3.96Å; T672-I676 WeakPolarHBondContact O-CG1 3.31Å; T672-I676 PolarHBondContact O-N 3.45Å; D673-I676 PolarHBondContact O-N 3.41Å; D673-I676 VanDerWaalsContact O-N 3.16Å; I676-F679 PolarHBondContact O-N 2.86Å; I676-K680 VanDerWaalsContact O-CB 3.24Å; I676-K680 WeakPolarHBondContact O-CB 3.39Å; I676-K680 PolarHBondContact O-N 3.06Å |
| 677 | D | 93.4 | Very high | 90.9 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67 | -42.5 | -177.7 | -73.3 | -37.3 | 0 | 0 | 0 | 112.4 | S568 S571 D673 L675 F679 K680 F681 | S568-D677 VanDerWaalsContact CA-OD2 3.26Å; S568-D677 WeakPolarHBondContact CA-OD2 3.37Å; S568-D677 VanDerWaalsContact CB-OD2 3.22Å; S568-D677 WeakPolarHBondContact CB-OD2 3.33Å; S568-D677 PolarHBondContact OG-OD2 3.39Å; S571-D677 WeakPolarHBondContact CB-OD1 3.43Å; S571-D677 VanDerWaalsContact OG-CG 3.29Å; S571-D677 PolarHBondContact OG-OD1 2.85Å; D673-D677 WeakPolarHBondContact O-CB 3.14Å; D673-D677 PolarHBondContact O-N 3.43Å; L675-D677 VanDerWaalsContact C-N 3.31Å; L675-D677 PolarHBondContact O-N 3.07Å; D677-F679 VanDerWaalsContact C-N 3.31Å; D677-F679 PolarHBondContact O-N 2.68Å; D677-K680 WeakPolarHBondContact O-CB 3.4Å; D677-K680 PolarHBondContact O-N 2.81Å; D677-F681 VanDerWaalsContact O-CD2 3.23Å; D677-F681 WeakPolarHBondContact O-CD2 3.44Å; D677-F681 PolarHBondContact O-N 3.02Å; D677-F681 VanDerWaalsContact O-N 3.08Å |
| 678 | K | 92.1 | Very high | 90.5 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52.5 | -49.7 | 174 | 179.3 | -178.2 | -173.1 | 170.1 | 0 | 112 | V599 L674 L675 F709 | V599-K678 HydrophobicContact CB-CD 4.45Å; V599-K678 HydrophobicContact CG1-CD 4.12Å; V599-K678 HydrophobicContact CG2-CB 4.37Å; V599-K678 HydrophobicContact CG2-CD 3.88Å; V599-K678 HydrophobicContact CG2-CG 4.14Å; L674-K678 WeakPolarHBondContact O-CB 3.43Å; L674-K678 PolarHBondContact O-N 2.73Å; L675-K678 PolarHBondContact O-N 2.65Å; K678-F709 HydrophobicContact CD-CD1 4.06Å; K678-F709 WeakPolarHBondContact CE-O 3.48Å; K678-F709 PolarHBondContact NZ-O 3.21Å |
| 679 | F | 90.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -77.3 | -28.5 | -178.4 | -75.9 | -78.1 | 0 | 0 | 0 | 112.8 | L675 I676 D677 F681 K682 G683 K684 V686 E711 P712 | L675-F679 HydrophobicContact CD1-CD2 4.04Å; L675-F679 HydrophobicContact CD1-CE2 3.64Å; L675-F679 HydrophobicContact CG-CD2 4.26Å; L675-F679 HydrophobicContact CG-CE2 4.33Å; L675-F679 VanDerWaalsContact O-CD2 3.31Å; L675-F679 WeakPolarHBondContact O-CD2 3.4Å; L675-F679 PolarHBondContact O-N 3.47Å; I676-F679 PolarHBondContact O-N 2.86Å; D677-F679 VanDerWaalsContact C-N 3.31Å; D677-F679 PolarHBondContact O-N 2.68Å; F679-F681 VanDerWaalsContact C-N 3.34Å; F679-F681 PolarHBondContact O-N 3.38Å; F679-K682 CarbonylContact O-C 3.28Å; F679-K682 WeakPolarHBondContact O-CA 3.36Å; F679-K682 PolarHBondContact O-N 3.42Å; F679-G683 PolarHBondContact O-N 2.79Å; F679-G683 VanDerWaalsContact O-N 3.13Å; F679-K684 CarbonylContact C-O 3.4Å; F679-K684 VanDerWaalsContact C-O 3.28Å; F679-K684 HydrophobicContact CB-CB 4.25Å; F679-K684 HydrophobicContact CD1-CB 4.31Å; F679-K684 HydrophobicContact CD1-CD 4.2Å; F679-K684 PolarHBondContact O-N 3.38Å; F679-K684 VanDerWaalsContact O-O 3.12Å; F679-V686 HydrophobicContact CB-CB 4.25Å; F679-V686 HydrophobicContact CB-CG1 3.59Å; F679-V686 HydrophobicContact CB-CG2 3.65Å; F679-V686 HydrophobicContact CD1-CG1 3.76Å; F679-V686 HydrophobicContact CD2-CB 4.2Å; F679-V686 HydrophobicContact CD2-CG1 3.74Å; F679-V686 HydrophobicContact CD2-CG2 3.7Å; F679-V686 HydrophobicContact CE1-CG1 4.35Å; F679-V686 HydrophobicContact CE2-CG1 4.35Å; F679-V686 HydrophobicContact CG-CB 4.24Å; F679-V686 HydrophobicContact CG-CG1 3.41Å; F679-V686 VanDerWaalsContact CG-CG1 3.41Å; F679-V686 HydrophobicContact CG-CG2 3.9Å; F679-E711 WeakPolarHBondContact CZ-O 3.33Å; F679-P712 WeakPolarHBondContact CE1-OXT 3.38Å |
| 680 | K | 91.3 | Very high | 89.9 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 27% | 0.274 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 172.5 | -179 | -174.8 | 173.8 | -165.6 | 0 | 111.7 | S571 D575 I676 D677 K682 G683 | S571-K680 PolarHBondContact OG-NZ 3.06Å; S571-K680 VanDerWaalsContact OG-NZ 3.08Å; D575-K680 IonicContact OD1-NZ 3.64Å; D575-K680 PolarHBondContact OD1-NZ 3.19Å; D575-K680 IonicContact OD2-NZ 3.59Å; D575-K680 PolarHBondContact OD2-NZ 3.31Å; I676-K680 VanDerWaalsContact O-CB 3.24Å; I676-K680 WeakPolarHBondContact O-CB 3.39Å; I676-K680 PolarHBondContact O-N 3.06Å; D677-K680 WeakPolarHBondContact O-CB 3.4Å; D677-K680 PolarHBondContact O-N 2.81Å; K680-K682 VanDerWaalsContact C-N 3.26Å; K680-K682 PolarHBondContact O-N 3.23Å; K680-G683 PolarHBondContact O-N 2.95Å |
| 681 | F | 90.5 | Very high | 89.6 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 6% | 0.057 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.9 | -24.7 | 174.4 | -77.5 | -72.1 | 0 | 0 | 0 | 113.4 | I567 I570 Y592 I594 D677 F679 G683 | I567-F681 HydrophobicContact CD1-CD2 3.69Å; I567-F681 HydrophobicContact CD1-CE2 4.3Å; I567-F681 HydrophobicContact CD1-CG 4.45Å; I567-F681 HydrophobicContact CG1-CD2 3.67Å; I567-F681 HydrophobicContact CG1-CE2 3.76Å; I570-F681 HydrophobicContact CG2-CZ 3.87Å; Y592-F681 HydrophobicContact CD1-CD1 4.05Å; Y592-F681 AromaticContact CD1-CE1 4Å; Y592-F681 HydrophobicContact CD1-CE1 4Å; Y592-F681 AromaticContact CD2-CD1 3.74Å; Y592-F681 HydrophobicContact CD2-CD1 3.74Å; Y592-F681 HydrophobicContact CD2-CE1 4.27Å; Y592-F681 HydrophobicContact CE1-CD1 4.12Å; Y592-F681 HydrophobicContact CE1-CE1 4.39Å; Y592-F681 HydrophobicContact CE2-CB 4.48Å; Y592-F681 AromaticContact CE2-CD1 3.79Å; Y592-F681 HydrophobicContact CE2-CD1 3.79Å; Y592-F681 AromaticContact CG-CD1 3.87Å; Y592-F681 HydrophobicContact CG-CD1 3.87Å; Y592-F681 AromaticContact CG-CE1 3.93Å; Y592-F681 HydrophobicContact CG-CE1 3.93Å; Y592-F681 AromaticContact CZ-CD1 3.99Å; I594-F681 HydrophobicContact CD1-CD1 4.25Å; I594-F681 HydrophobicContact CD1-CD2 4.38Å; I594-F681 HydrophobicContact CD1-CE1 4.48Å; I594-F681 HydrophobicContact CD1-CG 4.21Å; I594-F681 HydrophobicContact CG1-CB 4.3Å; I594-F681 HydrophobicContact CG1-CD1 4.48Å; I594-F681 HydrophobicContact CG1-CG 4.31Å; D677-F681 VanDerWaalsContact O-CD2 3.23Å; D677-F681 WeakPolarHBondContact O-CD2 3.44Å; D677-F681 PolarHBondContact O-N 3.02Å; D677-F681 VanDerWaalsContact O-N 3.08Å; F679-F681 VanDerWaalsContact C-N 3.34Å; F679-F681 PolarHBondContact O-N 3.38Å; F681-G683 VanDerWaalsContact C-N 3.27Å |
| 682 | K | 88.1 | Confident | 89.3 | Confident | 114 Ų | 114 | 57.1 Ų | 57.1 | 50% | 0.496 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 3.7 | 170.6 | -62.3 | -174.2 | 179.7 | -170 | 0 | 113.5 | F679 K680 K684 | F679-K682 CarbonylContact O-C 3.28Å; F679-K682 WeakPolarHBondContact O-CA 3.36Å; F679-K682 PolarHBondContact O-N 3.42Å; K680-K682 VanDerWaalsContact C-N 3.26Å; K680-K682 PolarHBondContact O-N 3.23Å; K682-K684 VanDerWaalsContact C-N 3.3Å; K682-K684 PolarHBondContact O-N 3.41Å |
| 683 | G | 86.6 | Confident | 89.1 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 75% | 0.753 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 18.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | F679 K680 F681 | F679-G683 PolarHBondContact O-N 2.79Å; F679-G683 VanDerWaalsContact O-N 3.13Å; K680-G683 PolarHBondContact O-N 2.95Å; F681-G683 VanDerWaalsContact C-N 3.27Å |
| 684 | K | 88.8 | Confident | 89 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | trans | -109 | 144.1 | -179.7 | -63.5 | -174.7 | -175.5 | -174.9 | 0 | 111.1 | F679 K682 P712 | F679-K684 CarbonylContact C-O 3.4Å; F679-K684 VanDerWaalsContact C-O 3.28Å; F679-K684 HydrophobicContact CB-CB 4.25Å; F679-K684 HydrophobicContact CD1-CB 4.31Å; F679-K684 HydrophobicContact CD1-CD 4.2Å; F679-K684 PolarHBondContact O-N 3.38Å; F679-K684 VanDerWaalsContact O-O 3.12Å; K682-K684 VanDerWaalsContact C-N 3.3Å; K682-K684 PolarHBondContact O-N 3.41Å; K684-P712 PolarHBondContact NZ-OXT 3.5Å | ||
| 685 | N | 86 | Confident | 88.7 | Confident | 121 Ų | 121 | 61.7 Ų | 61.7 | 65% | 0.647 | 33% | 0.327 | S | S | * | . | trans | -102.9 | 120.4 | 171 | -173.7 | -23.2 | 0 | 0 | 0 | 109.2 | R687 | N685-R687 WeakPolarHBondContact OD1-CG 3.23Å; N685-R687 PolarHBondContact OD1-N 3.32Å | ||
| 686 | V | 86.3 | Confident | 88.6 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | trans | -118.1 | 21.6 | -173.6 | -66.1 | 0 | 0 | 0 | 0 | 113.5 | L675 F679 T688 K689 | L675-V686 HydrophobicContact CG-CG2 4.34Å; F679-V686 HydrophobicContact CB-CB 4.25Å; F679-V686 HydrophobicContact CB-CG1 3.59Å; F679-V686 HydrophobicContact CB-CG2 3.65Å; F679-V686 HydrophobicContact CD1-CG1 3.76Å; F679-V686 HydrophobicContact CD2-CB 4.2Å; F679-V686 HydrophobicContact CD2-CG1 3.74Å; F679-V686 HydrophobicContact CD2-CG2 3.7Å; F679-V686 HydrophobicContact CE1-CG1 4.35Å; F679-V686 HydrophobicContact CE2-CG1 4.35Å; F679-V686 HydrophobicContact CG-CB 4.24Å; F679-V686 HydrophobicContact CG-CG1 3.41Å; F679-V686 VanDerWaalsContact CG-CG1 3.41Å; F679-V686 HydrophobicContact CG-CG2 3.9Å; V686-T688 PolarHBondContact O-N 3.21Å; V686-K689 HydrophobicContact CB-CB 4.35Å; V686-K689 HydrophobicContact CB-CD 4.45Å; V686-K689 HydrophobicContact CB-CG 4.42Å; V686-K689 HydrophobicContact CG1-CD 4.35Å; V686-K689 WeakPolarHBondContact O-CB 3.48Å; V686-K689 PolarHBondContact O-N 3.47Å | ||
| 687 | R | 81.2 | Confident | 88.4 | Confident | 186 Ų | 186 | 61.2 Ų | 61.2 | 70% | 0.702 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -54.8 | -29.1 | 178.2 | -74.3 | -178.5 | -176.9 | -173.4 | -0.9 | 113.4 | N685 K689 V690 | N685-R687 WeakPolarHBondContact OD1-CG 3.23Å; N685-R687 PolarHBondContact OD1-N 3.32Å; R687-K689 VanDerWaalsContact C-N 3.33Å; R687-V690 WeakPolarHBondContact O-CB 3.25Å; R687-V690 WeakPolarHBondContact O-CG2 3.03Å; R687-V690 PolarHBondContact O-N 2.62Å |
| 688 | T | 83.6 | Confident | 88 | Confident | 124 Ų | 124 | 65.6 Ų | 65.6 | 76% | 0.761 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -72.1 | -23.1 | 176.5 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | V686 V690 | V686-T688 PolarHBondContact O-N 3.21Å; T688-V690 VanDerWaalsContact C-N 3.32Å |
| 689 | K | 85.4 | Confident | 87.7 | Confident | 54 Ų | 54 | 72.2 Ų | 72.2 | 24% | 0.235 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -80.6 | -12.3 | 177 | -68.4 | -164.9 | 179.8 | -172.4 | 0 | 112.6 | V686 R687 S691 S692 M693 F708 P712 | V686-K689 HydrophobicContact CB-CB 4.35Å; V686-K689 HydrophobicContact CB-CD 4.45Å; V686-K689 HydrophobicContact CB-CG 4.42Å; V686-K689 HydrophobicContact CG1-CD 4.35Å; V686-K689 WeakPolarHBondContact O-CB 3.48Å; V686-K689 PolarHBondContact O-N 3.47Å; R687-K689 VanDerWaalsContact C-N 3.33Å; K689-S691 PolarHBondContact O-N 3.39Å; K689-S692 PolarHBondContact O-N 3.1Å; K689-M693 PolarHBondContact O-N 2.9Å; K689-M693 VanDerWaalsContact O-N 3.07Å; K689-F708 HydrophobicContact CB-CZ 4.04Å; K689-P712 PolarHBondContact NZ-O 2.89Å |
| 690 | V | 87.4 | Confident | 87.7 | Confident | 26 Ų | 26 | 74 Ų | 74 | 16% | 0.158 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.8 | -43.3 | -175.8 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | T672 R687 T688 S692 M693 L694 | T672-V690 HydrophobicContact CG2-CG1 3.75Å; T672-V690 HydrophobicContact CG2-CG2 4.09Å; R687-V690 WeakPolarHBondContact O-CB 3.25Å; R687-V690 WeakPolarHBondContact O-CG2 3.03Å; R687-V690 PolarHBondContact O-N 2.62Å; T688-V690 VanDerWaalsContact C-N 3.32Å; V690-S692 VanDerWaalsContact C-N 3.35Å; V690-S692 PolarHBondContact O-N 3.04Å; V690-M693 WeakPolarHBondContact O-CB 3.39Å; V690-M693 PolarHBondContact O-N 2.92Å; V690-M693 VanDerWaalsContact O-N 3.14Å; V690-L694 HydrophobicContact CG1-CD1 4.35Å; V690-L694 HydrophobicContact CG1-CG 4.48Å; V690-L694 WeakPolarHBondContact O-CG 3.48Å; V690-L694 PolarHBondContact O-N 3.13Å |
| 691 | S | 87.6 | Confident | 87.7 | Confident | 79 Ų | 79 | 74.2 Ų | 74.2 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | K689 M693 L694 E695 | K689-S691 PolarHBondContact O-N 3.39Å; S691-M693 VanDerWaalsContact C-N 3.31Å; S691-M693 PolarHBondContact O-N 3.08Å; S691-L694 PolarHBondContact O-N 3.05Å; S691-E695 PolarHBondContact O-N 3.04Å |
| 692 | S | 88.4 | Confident | 87.8 | Confident | 56 Ų | 56 | 75 Ų | 75 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.4 | -33.3 | 176.3 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | K689 V690 E695 I696 | K689-S692 PolarHBondContact O-N 3.1Å; V690-S692 VanDerWaalsContact C-N 3.35Å; V690-S692 PolarHBondContact O-N 3.04Å; S692-E695 PolarHBondContact O-N 3.25Å; S692-I696 WeakPolarHBondContact O-CG1 3.26Å; S692-I696 PolarHBondContact O-N 3.05Å |
| 693 | M | 91 | Very high | 88 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 173.9 | -168.9 | -164.3 | 69.2 | 0 | 0 | 111.6 | I671 T672 L675 K689 V690 S691 E695 I696 L697 L705 F708 F709 | I671-M693 HydrophobicContact CG2-CE 4.15Å; I671-M693 HydrophobicContact CG2-SD 3.78Å; T672-M693 HydrophobicContact CG2-CE 4.4Å; T672-M693 WeakPolarHBondContact OG1-CE 3.48Å; L675-M693 HydrophobicContact CB-SD 4.08Å; L675-M693 HydrophobicContact CD2-CB 4.43Å; L675-M693 HydrophobicContact CD2-SD 3.75Å; L675-M693 HydrophobicContact CG-SD 4.38Å; K689-M693 PolarHBondContact O-N 2.9Å; K689-M693 VanDerWaalsContact O-N 3.07Å; V690-M693 WeakPolarHBondContact O-CB 3.39Å; V690-M693 PolarHBondContact O-N 2.92Å; V690-M693 VanDerWaalsContact O-N 3.14Å; S691-M693 VanDerWaalsContact C-N 3.31Å; S691-M693 PolarHBondContact O-N 3.08Å; M693-E695 VanDerWaalsContact C-N 3.29Å; M693-E695 PolarHBondContact O-N 2.72Å; M693-I696 WeakPolarHBondContact O-CB 3.21Å; M693-I696 PolarHBondContact O-N 2.69Å; M693-I696 VanDerWaalsContact O-N 3.11Å; M693-L697 HydrophobicContact CE-CD1 3.89Å; M693-L697 WeakPolarHBondContact O-CG 3.39Å; M693-L697 PolarHBondContact O-N 2.61Å; M693-L705 HydrophobicContact CG-CD1 4.21Å; M693-F708 HydrophobicContact CB-CD1 4.41Å; M693-F708 HydrophobicContact CB-CE1 3.65Å; M693-F708 HydrophobicContact CB-CZ 3.99Å; M693-F708 HydrophobicContact CG-CD1 4.23Å; M693-F708 HydrophobicContact CG-CE1 3.88Å; M693-F709 HydrophobicContact SD-CE2 4.07Å; M693-F709 HydrophobicContact SD-CZ 4.29Å |
| 694 | L | 89.3 | Confident | 88.3 | Confident | 63 Ų | 63 | 73.7 Ų | 73.7 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 176.8 | -67.6 | 172.9 | 0 | 0 | 0 | 111.4 | V690 S691 I696 L697 D698 | V690-L694 HydrophobicContact CG1-CD1 4.35Å; V690-L694 HydrophobicContact CG1-CG 4.48Å; V690-L694 WeakPolarHBondContact O-CG 3.48Å; V690-L694 PolarHBondContact O-N 3.13Å; S691-L694 PolarHBondContact O-N 3.05Å; L694-I696 VanDerWaalsContact C-N 3.3Å; L694-I696 PolarHBondContact O-N 2.9Å; L694-L697 HydrophobicContact CD2-CD1 4.42Å; L694-L697 PolarHBondContact O-N 3.46Å; L694-L697 VanDerWaalsContact O-N 3.11Å; L694-D698 PolarHBondContact O-N 2.96Å |
| 695 | E | 88.9 | Confident | 88.6 | Confident | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.593 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.4 | -36.6 | 174 | -68.1 | 175.2 | -179.4 | 0 | 0 | 112.8 | S691 S692 M693 H699 | S691-E695 PolarHBondContact O-N 3.04Å; S692-E695 PolarHBondContact O-N 3.25Å; M693-E695 VanDerWaalsContact C-N 3.29Å; M693-E695 PolarHBondContact O-N 2.72Å; E695-H699 PolarHBondContact O-N 2.8Å; E695-H699 PolarHBondContact O-ND1 3.41Å |
| 696 | I | 90.6 | Very high | 88.9 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 174.1 | -63.6 | 168.7 | 0 | 0 | 0 | 110.5 | S692 M693 L694 H699 Y700 L705 F708 | S692-I696 WeakPolarHBondContact O-CG1 3.26Å; S692-I696 PolarHBondContact O-N 3.05Å; M693-I696 WeakPolarHBondContact O-CB 3.21Å; M693-I696 PolarHBondContact O-N 2.69Å; M693-I696 VanDerWaalsContact O-N 3.11Å; L694-I696 VanDerWaalsContact C-N 3.3Å; L694-I696 PolarHBondContact O-N 2.9Å; I696-H699 CarbonylContact O-C 3.55Å; I696-H699 PolarHBondContact O-N 2.88Å; I696-Y700 WeakPolarHBondContact O-CA 3.4Å; I696-Y700 PolarHBondContact O-N 3.18Å; I696-Y700 VanDerWaalsContact O-N 3.08Å; I696-L705 HydrophobicContact CG2-CB 4.35Å; I696-L705 HydrophobicContact CG2-CD1 4.28Å; I696-F708 HydrophobicContact CD1-CB 3.78Å; I696-F708 HydrophobicContact CD1-CD1 4.35Å; I696-F708 HydrophobicContact CD1-CD2 3.48Å; I696-F708 VanDerWaalsContact CD1-CD2 3.48Å; I696-F708 HydrophobicContact CD1-CE2 4.08Å; I696-F708 HydrophobicContact CD1-CG 3.61Å |
| 697 | L | 89.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.5 | -34.4 | 177.6 | -67.1 | 176.1 | 0 | 0 | 0 | 112.2 | L610 Y668 I671 M693 L694 H699 Y700 L705 | L610-L697 HydrophobicContact CD2-CD2 4.15Å; Y668-L697 HydrophobicContact CD1-CB 4.26Å; Y668-L697 HydrophobicContact CD1-CD1 3.75Å; Y668-L697 HydrophobicContact CD1-CG 4.43Å; Y668-L697 HydrophobicContact CE1-CB 3.75Å; Y668-L697 HydrophobicContact CE1-CD1 4.11Å; Y668-L697 HydrophobicContact CE1-CD2 4.43Å; Y668-L697 HydrophobicContact CE1-CG 4.31Å; Y668-L697 HydrophobicContact CE2-CB 4.41Å; Y668-L697 HydrophobicContact CG-CD1 4.07Å; Y668-L697 PolarHBondContact OH-O 2.87Å; I671-L697 HydrophobicContact CB-CD1 4.48Å; I671-L697 HydrophobicContact CD1-CD1 4.31Å; I671-L697 HydrophobicContact CD1-CD2 3.77Å; I671-L697 HydrophobicContact CG2-CD1 4.28Å; I671-L697 HydrophobicContact CG2-CD2 4.46Å; M693-L697 HydrophobicContact CE-CD1 3.89Å; M693-L697 WeakPolarHBondContact O-CG 3.39Å; M693-L697 PolarHBondContact O-N 2.61Å; L694-L697 HydrophobicContact CD2-CD1 4.42Å; L694-L697 PolarHBondContact O-N 3.46Å; L694-L697 VanDerWaalsContact O-N 3.11Å; L697-H699 VanDerWaalsContact C-N 3.27Å; L697-H699 PolarHBondContact O-N 2.66Å; L697-Y700 HydrophobicContact CD2-CD2 4.19Å; L697-Y700 WeakPolarHBondContact O-CB 3.37Å; L697-Y700 PolarHBondContact O-N 3.05Å; L697-L705 HydrophobicContact CD2-CD1 4.18Å; L697-L705 HydrophobicContact CD2-CD2 4.02Å |
| 698 | D | 85.1 | Confident | 89.7 | Confident | 108 Ų | 108 | 61 Ų | 61 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.1 | -32.8 | 173.3 | -70.9 | -21 | 0 | 0 | 0 | 112.3 | L694 | L694-D698 PolarHBondContact O-N 2.96Å |
| 699 | H | 85.8 | Confident | 90 | Very high | 160 Ų | 160 | 55.1 Ų | 55.1 | 74% | 0.741 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | 46.9 | 175.4 | -58.8 | 86.5 | 0 | 0 | 0 | 111.5 | E695 I696 L697 D701 | E695-H699 PolarHBondContact O-N 2.8Å; E695-H699 PolarHBondContact O-ND1 3.41Å; I696-H699 CarbonylContact O-C 3.55Å; I696-H699 PolarHBondContact O-N 2.88Å; L697-H699 VanDerWaalsContact C-N 3.27Å; L697-H699 PolarHBondContact O-N 2.66Å; H699-D701 PolarHBondContact O-N 3.32Å |
| 700 | Y | 90.4 | Very high | 90 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 16% | 0.161 | 31% | 0.31 | C | S | . | . | trans | -47.4 | 119 | -165.9 | -177.4 | -117.4 | 0 | 0 | 0 | 115.1 | H607 L610 L614 I696 L697 L705 | H607-Y700 WeakPolarHBondContact CA-OH 3.36Å; H607-Y700 VanDerWaalsContact CB-OH 3.32Å; H607-Y700 WeakPolarHBondContact CB-OH 3.26Å; H607-Y700 AromaticContact CE1-CE1 3.97Å; H607-Y700 AromaticContact ND1-CE1 3.45Å; H607-Y700 WeakPolarHBondContact ND1-CE1 3.46Å; H607-Y700 AromaticContact ND1-CZ 3.46Å; H607-Y700 PolarHBondContact ND1-OH 3.06Å; L610-Y700 HydrophobicContact CD2-CD1 4.26Å; L610-Y700 HydrophobicContact CD2-CD2 3.57Å; L610-Y700 HydrophobicContact CD2-CE1 4.11Å; L610-Y700 HydrophobicContact CD2-CE2 3.45Å; L610-Y700 VanDerWaalsContact CD2-CE2 3.45Å; L610-Y700 HydrophobicContact CD2-CG 3.98Å; L610-Y700 HydrophobicContact CG-CE1 4.43Å; L614-Y700 VanDerWaalsContact CD1-CB 3.48Å; L614-Y700 HydrophobicContact CD1-CD1 3.7Å; L614-Y700 HydrophobicContact CD1-CG 3.85Å; I696-Y700 WeakPolarHBondContact O-CA 3.4Å; I696-Y700 PolarHBondContact O-N 3.18Å; I696-Y700 VanDerWaalsContact O-N 3.08Å; L697-Y700 HydrophobicContact CD2-CD2 4.19Å; L697-Y700 WeakPolarHBondContact O-CB 3.37Å; L697-Y700 PolarHBondContact O-N 3.05Å; Y700-L705 HydrophobicContact CE2-CD2 3.97Å | ||
| 701 | D | 90.9 | Very high | 89.5 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | trans | -135 | 129 | 164.1 | 171.2 | 58.7 | 0 | 0 | 0 | 109.2 | H699 N703 S704 L705 | H699-D701 PolarHBondContact O-N 3.32Å; D701-N703 PolarHBondContact O-N 3.08Å; D701-N703 PolarHBondContact OD2-N 3.45Å; D701-S704 PolarHBondContact O-N 2.88Å; D701-S704 VanDerWaalsContact OD2-CB 3.31Å; D701-S704 WeakPolarHBondContact OD2-CB 3.45Å; D701-S704 PolarHBondContact OD2-N 3.39Å; D701-S704 PolarHBondContact OD2-OG 3.44Å; D701-L705 WeakPolarHBondContact O-CB 3.47Å; D701-L705 PolarHBondContact O-N 3.25Å | ||
| 702 | L | 92.1 | Very high | 88.3 | Confident | 29 Ų | 29 | 62.2 Ų | 62.2 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | -174.5 | 178.1 | 61.3 | 0 | 0 | 0 | 112 | H607 L705 L706 | H607-L702 HydrophobicContact CB-CD1 4.07Å; H607-L702 HydrophobicContact CB-CD2 4.24Å; L702-L705 PolarHBondContact O-N 3.44Å; L702-L706 HydrophobicContact CD1-CD1 4.2Å; L702-L706 HydrophobicContact CD1-CG 4.19Å; L702-L706 HydrophobicContact CG-CD1 3.96Å; L702-L706 HydrophobicContact CG-CG 4.39Å; L702-L706 WeakPolarHBondContact O-CB 3.48Å; L702-L706 VanDerWaalsContact O-CG 3.29Å; L702-L706 WeakPolarHBondContact O-CG 3.44Å; L702-L706 PolarHBondContact O-N 3.31Å |
| 703 | N | 93.6 | Very high | 88.3 | Confident | 103 Ų | 103 | 62.6 Ų | 62.6 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.9 | -44.5 | -178.1 | -63.4 | -50.2 | 0 | 0 | 0 | 110.5 | D701 L705 L706 D707 | D701-N703 PolarHBondContact O-N 3.08Å; D701-N703 PolarHBondContact OD2-N 3.45Å; N703-L705 VanDerWaalsContact C-N 3.29Å; N703-L705 PolarHBondContact O-N 3.26Å; N703-L706 PolarHBondContact O-N 3.47Å; N703-L706 VanDerWaalsContact O-N 3.16Å; N703-D707 WeakPolarHBondContact O-CB 3.42Å; N703-D707 VanDerWaalsContact O-CG 3.25Å; N703-D707 PolarHBondContact O-N 3.49Å |
| 704 | S | 93.3 | Very high | 88.1 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.5 | -40.5 | 174.5 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | D701 F708 | D701-S704 PolarHBondContact O-N 2.88Å; D701-S704 VanDerWaalsContact OD2-CB 3.31Å; D701-S704 WeakPolarHBondContact OD2-CB 3.45Å; D701-S704 PolarHBondContact OD2-N 3.39Å; D701-S704 PolarHBondContact OD2-OG 3.44Å; S704-F708 VanDerWaalsContact O-CB 3.31Å; S704-F708 WeakPolarHBondContact O-CB 3.24Å; S704-F708 PolarHBondContact O-N 3.01Å |
| 705 | L | 93.3 | Very high | 88 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.1 | -44 | 175.4 | -172.5 | 64.5 | 0 | 0 | 0 | 112 | L603 I671 M693 I696 L697 Y700 D701 L702 N703 F708 F709 | L603-L705 HydrophobicContact CD2-CD2 3.94Å; L603-L705 HydrophobicContact CD2-CG 4.48Å; I671-L705 HydrophobicContact CG2-CD2 4.45Å; M693-L705 HydrophobicContact CG-CD1 4.21Å; I696-L705 HydrophobicContact CG2-CB 4.35Å; I696-L705 HydrophobicContact CG2-CD1 4.28Å; L697-L705 HydrophobicContact CD2-CD1 4.18Å; L697-L705 HydrophobicContact CD2-CD2 4.02Å; Y700-L705 HydrophobicContact CE2-CD2 3.97Å; D701-L705 WeakPolarHBondContact O-CB 3.47Å; D701-L705 PolarHBondContact O-N 3.25Å; L702-L705 PolarHBondContact O-N 3.44Å; N703-L705 VanDerWaalsContact C-N 3.29Å; N703-L705 PolarHBondContact O-N 3.26Å; L705-F708 PolarHBondContact O-N 3.28Å; L705-F709 HydrophobicContact CD1-CD2 4.03Å; L705-F709 HydrophobicContact CD1-CE2 3.75Å; L705-F709 HydrophobicContact CG-CD2 4.21Å; L705-F709 HydrophobicContact CG-CE2 4.15Å; L705-F709 VanDerWaalsContact O-CD2 3.27Å; L705-F709 WeakPolarHBondContact O-CD2 3.21Å; L705-F709 PolarHBondContact O-N 3.43Å |
| 706 | L | 93.4 | Very high | 88 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 13% | 0.131 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 176.6 | -74.7 | 169.9 | 0 | 0 | 0 | 111.6 | L603 L702 N703 F709 S710 | L603-L706 HydrophobicContact CB-CD2 4.15Å; L603-L706 HydrophobicContact CD1-CD2 3.79Å; L702-L706 HydrophobicContact CD1-CD1 4.2Å; L702-L706 HydrophobicContact CD1-CG 4.19Å; L702-L706 HydrophobicContact CG-CD1 3.96Å; L702-L706 HydrophobicContact CG-CG 4.39Å; L702-L706 WeakPolarHBondContact O-CB 3.48Å; L702-L706 VanDerWaalsContact O-CG 3.29Å; L702-L706 WeakPolarHBondContact O-CG 3.44Å; L702-L706 PolarHBondContact O-N 3.31Å; N703-L706 PolarHBondContact O-N 3.47Å; N703-L706 VanDerWaalsContact O-N 3.16Å; L706-F709 PolarHBondContact O-N 2.98Å; L706-S710 PolarHBondContact O-N 3.45Å |
| 707 | D | 92.5 | Very high | 87.8 | Confident | 99 Ų | 99 | 63.9 Ų | 63.9 | 53% | 0.529 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 177 | -72.2 | -18 | 0 | 0 | 0 | 110.1 | N703 F709 S710 E711 | N703-D707 WeakPolarHBondContact O-CB 3.42Å; N703-D707 VanDerWaalsContact O-CG 3.25Å; N703-D707 PolarHBondContact O-N 3.49Å; D707-F709 VanDerWaalsContact C-N 3.29Å; D707-F709 PolarHBondContact O-N 2.95Å; D707-S710 WeakPolarHBondContact CA-OG 3.19Å; D707-S710 CarbonylContact O-C 3.4Å; D707-S710 WeakPolarHBondContact O-CA 3.05Å; D707-S710 WeakPolarHBondContact O-CB 3.48Å; D707-S710 PolarHBondContact O-N 3.12Å; D707-S710 PolarHBondContact O-OG 3.03Å; D707-E711 PolarHBondContact O-N 2.93Å |
| 708 | F | 92.1 | Very high | 87.7 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 10% | 0.096 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.7 | -39.6 | 175.7 | -177.4 | -96.1 | 0 | 0 | 0 | 113 | L675 K689 M693 I696 S704 L705 S710 | L675-F708 HydrophobicContact CD1-CD1 4.38Å; L675-F708 HydrophobicContact CD1-CE1 4.08Å; L675-F708 HydrophobicContact CD2-CE1 4.01Å; K689-F708 HydrophobicContact CB-CZ 4.04Å; M693-F708 HydrophobicContact CB-CD1 4.41Å; M693-F708 HydrophobicContact CB-CE1 3.65Å; M693-F708 HydrophobicContact CB-CZ 3.99Å; M693-F708 HydrophobicContact CG-CD1 4.23Å; M693-F708 HydrophobicContact CG-CE1 3.88Å; I696-F708 HydrophobicContact CD1-CB 3.78Å; I696-F708 HydrophobicContact CD1-CD1 4.35Å; I696-F708 HydrophobicContact CD1-CD2 3.48Å; I696-F708 VanDerWaalsContact CD1-CD2 3.48Å; I696-F708 HydrophobicContact CD1-CE2 4.08Å; I696-F708 HydrophobicContact CD1-CG 3.61Å; S704-F708 VanDerWaalsContact O-CB 3.31Å; S704-F708 WeakPolarHBondContact O-CB 3.24Å; S704-F708 PolarHBondContact O-N 3.01Å; L705-F708 PolarHBondContact O-N 3.28Å; F708-S710 VanDerWaalsContact C-N 3.32Å |
| 709 | F | 90.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.009 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.8 | -28.1 | 174.2 | -90.1 | -107.4 | 0 | 0 | 0 | 112.4 | V599 L603 I671 L674 L675 K678 M693 L705 L706 D707 | V599-F709 HydrophobicContact CG1-CD1 3.53Å; V599-F709 HydrophobicContact CG1-CE1 4.04Å; V599-F709 HydrophobicContact CG1-CG 4.34Å; L603-F709 HydrophobicContact CD1-CB 4.29Å; L603-F709 HydrophobicContact CD1-CD1 4.14Å; L603-F709 HydrophobicContact CD1-CD2 3.98Å; L603-F709 HydrophobicContact CD1-CE1 4.4Å; L603-F709 HydrophobicContact CD1-CE2 4.28Å; L603-F709 HydrophobicContact CD1-CG 3.88Å; L603-F709 HydrophobicContact CD1-CZ 4.46Å; L603-F709 HydrophobicContact CD2-CE2 4.34Å; L603-F709 HydrophobicContact CD2-CZ 4.25Å; I671-F709 HydrophobicContact CG2-CE2 4.04Å; I671-F709 HydrophobicContact CG2-CZ 3.9Å; L674-F709 HydrophobicContact CB-CE1 4.46Å; L674-F709 HydrophobicContact CD2-CE1 4.23Å; L674-F709 HydrophobicContact CG-CE1 4.18Å; L675-F709 HydrophobicContact CB-CE1 3.82Å; L675-F709 HydrophobicContact CB-CE2 4.45Å; L675-F709 HydrophobicContact CB-CZ 3.67Å; L675-F709 HydrophobicContact CD1-CD1 3.86Å; L675-F709 HydrophobicContact CD1-CD2 4.07Å; L675-F709 HydrophobicContact CD1-CE1 3.75Å; L675-F709 HydrophobicContact CD1-CE2 3.94Å; L675-F709 HydrophobicContact CD1-CG 4.06Å; L675-F709 HydrophobicContact CD1-CZ 3.8Å; L675-F709 HydrophobicContact CG-CE1 4.43Å; L675-F709 HydrophobicContact CG-CZ 4.35Å; K678-F709 HydrophobicContact CD-CD1 4.06Å; K678-F709 WeakPolarHBondContact CE-O 3.48Å; K678-F709 PolarHBondContact NZ-O 3.21Å; M693-F709 HydrophobicContact SD-CE2 4.07Å; M693-F709 HydrophobicContact SD-CZ 4.29Å; L705-F709 HydrophobicContact CD1-CD2 4.03Å; L705-F709 HydrophobicContact CD1-CE2 3.75Å; L705-F709 HydrophobicContact CG-CD2 4.21Å; L705-F709 HydrophobicContact CG-CE2 4.15Å; L705-F709 VanDerWaalsContact O-CD2 3.27Å; L705-F709 WeakPolarHBondContact O-CD2 3.21Å; L705-F709 PolarHBondContact O-N 3.43Å; L706-F709 PolarHBondContact O-N 2.98Å; D707-F709 VanDerWaalsContact C-N 3.29Å; D707-F709 PolarHBondContact O-N 2.95Å |
| 710 | S | 85.1 | Confident | 88.1 | Confident | 83 Ų | 83 | 58 Ų | 58 | 58% | 0.58 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -76.9 | -25 | 178.2 | 81.5 | 0 | 0 | 0 | 0 | 112.8 | L706 D707 F708 | L706-S710 PolarHBondContact O-N 3.45Å; D707-S710 WeakPolarHBondContact CA-OG 3.19Å; D707-S710 CarbonylContact O-C 3.4Å; D707-S710 WeakPolarHBondContact O-CA 3.05Å; D707-S710 WeakPolarHBondContact O-CB 3.48Å; D707-S710 PolarHBondContact O-N 3.12Å; D707-S710 PolarHBondContact O-OG 3.03Å; F708-S710 VanDerWaalsContact C-N 3.32Å |
| 711 | E | 77.3 | Confident | 87.9 | Confident | 105 Ų | 105 | 59.4 Ų | 59.4 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | trans | -62.2 | 134.9 | 178.7 | -74 | -175 | 179.4 | 0 | 0 | 112.2 | F679 D707 | F679-E711 WeakPolarHBondContact CZ-O 3.33Å; D707-E711 PolarHBondContact O-N 2.93Å | ||
| 712 | P | 60.8 | Low | 87.6 | Confident | 120 Ų | 120 | 58.7 Ų | 58.7 | 78% | 0.779 | 34% | 0.338 | S | S | * | . | trans | -66.1 | 0 | -171.8 | 22.7 | -31.8 | 0 | 0 | 0 | 116.5 | F679 K684 K689 | F679-P712 WeakPolarHBondContact CE1-OXT 3.38Å; K684-P712 PolarHBondContact NZ-OXT 3.5Å; K689-P712 PolarHBondContact NZ-O 2.89Å |
Retrieved 712 of 712 residues in 1998.9 ms
(Link to these results)