| 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 | 60.3 | Low | 87.1 | Confident | 206 Ų | 206 | 72.5 Ų | 72.5 | 100% | 1.015 | 36% | 0.358 | S | S | * | . | 0 | 144 | 0 | -72.2 | -170.4 | -155.6 | 0 | 0 | 106.5 | |||||
| 2 | D | 78.4 | Confident | 87.8 | Confident | 104 Ų | 104 | 74.8 Ų | 74.8 | 56% | 0.556 | 37% | 0.366 | S | S | * | . | trans | -75.4 | 134.4 | 177.6 | -57.3 | -32.1 | 0 | 0 | 0 | 109.3 | R280 | D2-R280 IonicContact OD1-NH1 3.93Š| ||
| 3 | P | 83.6 | Confident | 88.5 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 13% | 0.13 | 35% | 0.348 | C | S | . | . | trans | -72 | 132.6 | -175.8 | 28.8 | -31.9 | 0 | 0 | 0 | 110.1 | L5 R280 F281 | P3-L5 HydrophobicContact CB-CD2 4.48Å; P3-L5 HydrophobicContact CB-CG 4.37Å; P3-R280 HydrophobicContact CG-CB 4.39Å; P3-F281 HydrophobicContact CG-CB 3.89Å; P3-F281 WeakPolarHBondContact O-CD2 3.45Å | ||
| 4 | I | 88.6 | Confident | 89 | Confident | 139 Ų | 139 | 67 Ų | 67 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | trans | -94.2 | 109.6 | 171.9 | -59.2 | 174.8 | 0 | 0 | 0 | 107.2 | ||||
| 5 | L | 93.3 | Very high | 89.5 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | trans | -112.9 | 133 | -179.3 | -56.9 | 176.9 | 0 | 0 | 0 | 111.1 | P3 I249 F281 I305 L317 T318 T319 | P3-L5 HydrophobicContact CB-CD2 4.48Å; P3-L5 HydrophobicContact CB-CG 4.37Å; L5-I249 HydrophobicContact CD2-CD1 4.28Å; L5-I249 HydrophobicContact CD2-CG1 4.15Å; L5-F281 HydrophobicContact CB-CE1 4.5Å; L5-F281 HydrophobicContact CB-CE2 3.94Å; L5-F281 HydrophobicContact CB-CZ 3.87Å; L5-F281 HydrophobicContact CD1-CD1 4.02Å; L5-F281 HydrophobicContact CD1-CD2 4.47Å; L5-F281 HydrophobicContact CD1-CE1 3.94Å; L5-F281 HydrophobicContact CD1-CE2 4.41Å; L5-F281 HydrophobicContact CD1-CG 4.28Å; L5-F281 HydrophobicContact CD1-CZ 4.13Å; L5-F281 HydrophobicContact CG-CE2 4.34Å; L5-F281 HydrophobicContact CG-CZ 4.4Å; L5-I305 HydrophobicContact CD1-CD1 3.53Å; L5-I305 HydrophobicContact CD1-CG1 4.22Å; L5-L317 HydrophobicContact CB-CB 3.93Å; L5-L317 HydrophobicContact CD1-CB 4.18Å; L5-T318 WeakPolarHBondContact CA-O 3.23Å; L5-T319 HydrophobicContact CD2-CG2 3.67Å | ||
| 6 | N | 92.2 | Very high | 90 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129 | -174.5 | -80.2 | -36.4 | 0 | 0 | 0 | 110.3 | L317 T318 E320 I322 | N6-L317 CarbonylContact O-C 3.59Å; N6-L317 WeakPolarHBondContact O-CA 3.45Å; N6-T318 HydrophobicContact CB-CG2 4.17Å; N6-T318 PolarHBondContact N-O 3.45Å; N6-T318 WeakPolarHBondContact O-CG2 3.39Å; N6-T318 PolarHBondContact O-N 3.35Å; N6-E320 PolarHBondContact ND2-O 3.5Å; N6-I322 HydrophobicContact CB-CD1 3.46Å; N6-I322 VanDerWaalsContact CB-CD1 3.46Å; N6-I322 HydrophobicContact CB-CG1 3.64Å |
| 7 | R | 92.7 | Very high | 90.5 | Very high | 113 Ų | 113 | 56.6 Ų | 56.6 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.1 | -179.8 | -177.7 | 177.7 | 169.8 | 174.4 | -2.8 | 111.5 | D9 T315 G316 L317 | R7-D9 IonicContact CZ-OD1 3.08Å; R7-D9 IonicContact CZ-OD2 3.18Å; R7-D9 IonicContact NE-OD1 2.64Å; R7-D9 PolarHBondContact NE-OD1 3.3Å; R7-D9 IonicContact NE-OD2 3.49Å; R7-D9 IonicContact NH2-OD1 2.98Å; R7-D9 PolarHBondContact NH2-OD1 3.23Å; R7-D9 VanDerWaalsContact NH2-OD1 3.08Å; R7-D9 IonicContact NH2-OD2 3.52Å; R7-D9 PolarHBondContact NH2-OD2 3.11Å; R7-T315 HydrophobicContact CG-CG2 3.61Å; R7-G316 CarbonylContact C-O 3.55Å; R7-G316 WeakPolarHBondContact CA-O 3.29Å; R7-L317 HydrophobicContact CB-CD2 4.12Å; R7-L317 HydrophobicContact CG-CD2 4.34Å |
| 8 | M | 90.6 | Very high | 90.9 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 30% | 0.3 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 122.3 | 170.8 | 177.5 | 168.5 | 47.5 | 0 | 0 | 110.3 | Y10 T315 G316 T318 | M8-Y10 HydrophobicContact CE-CE1 3.46Å; M8-Y10 VanDerWaalsContact CE-CE1 3.46Å; M8-Y10 WeakPolarHBondContact CE-OH 3.49Å; M8-Y10 HydrophobicContact CG-CD1 4.39Å; M8-Y10 HydrophobicContact CG-CE1 4.02Å; M8-Y10 HydrophobicContact SD-CE1 3.99Å; M8-T315 CarbonylContact O-C 3.6Å; M8-G316 PolarHBondContact N-O 3.02Å; M8-G316 PolarHBondContact O-N 3.15Å; M8-T318 HydrophobicContact CE-CG2 4.3Å |
| 9 | D | 91.8 | Very high | 91.2 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.4 | 178.6 | -61.3 | -38.9 | 0 | 0 | 0 | 110.8 | R7 W313 T315 | R7-D9 IonicContact CZ-OD1 3.08Å; R7-D9 IonicContact CZ-OD2 3.18Å; R7-D9 IonicContact NE-OD1 2.64Å; R7-D9 PolarHBondContact NE-OD1 3.3Å; R7-D9 IonicContact NE-OD2 3.49Å; R7-D9 IonicContact NH2-OD1 2.98Å; R7-D9 PolarHBondContact NH2-OD1 3.23Å; R7-D9 VanDerWaalsContact NH2-OD1 3.08Å; R7-D9 IonicContact NH2-OD2 3.52Å; R7-D9 PolarHBondContact NH2-OD2 3.11Å; D9-W313 HydrophobicContact CB-CE3 4.35Å; D9-W313 HydrophobicContact CB-CZ3 4.33Å; D9-T315 WeakPolarHBondContact OD1-CB 3.32Å; D9-T315 WeakPolarHBondContact OD1-CG2 3.37Å; D9-T315 PolarHBondContact OD1-OG1 2.91Å |
| 10 | Y | 93 | Very high | 91.6 | Very high | 22 Ų | 22 | 51.6 Ų | 51.6 | 9% | 0.086 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -64.5 | -175.1 | -63.5 | -52.1 | 0 | 0 | 0 | 113 | M8 M49 V297 G298 E304 V314 | M8-Y10 HydrophobicContact CE-CE1 3.46Å; M8-Y10 VanDerWaalsContact CE-CE1 3.46Å; M8-Y10 WeakPolarHBondContact CE-OH 3.49Å; M8-Y10 HydrophobicContact CG-CD1 4.39Å; M8-Y10 HydrophobicContact CG-CE1 4.02Å; M8-Y10 HydrophobicContact SD-CE1 3.99Å; Y10-M49 HydrophobicContact CD1-CE 3.66Å; Y10-M49 HydrophobicContact CD1-CG 4.29Å; Y10-M49 HydrophobicContact CD1-SD 3.65Å; Y10-M49 HydrophobicContact CE1-CE 4.03Å; Y10-M49 HydrophobicContact CE1-CG 4.28Å; Y10-M49 HydrophobicContact CE1-SD 4.2Å; Y10-M49 HydrophobicContact CG-SD 4.31Å; Y10-V297 HydrophobicContact CE2-CB 4.37Å; Y10-V297 HydrophobicContact CE2-CG1 4.29Å; Y10-G298 WeakPolarHBondContact OH-CA 3.42Å; Y10-G298 PolarHBondContact OH-N 2.75Å; Y10-E304 WeakPolarHBondContact CE2-OE1 3.43Å; Y10-E304 PolarHBondContact OH-OE1 2.82Å; Y10-E304 PolarHBondContact OH-OE2 2.86Å; Y10-V314 WeakPolarHBondContact CB-O 3.48Å; Y10-V314 HydrophobicContact CD2-CG1 4.26Å; Y10-V314 PolarHBondContact N-O 2.74Å |
| 11 | L | 94 | Very high | 91.9 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 161.9 | 179.3 | 86 | 87.3 | 0 | 0 | 0 | 110.4 | V13 M45 F47 A54 V314 | L11-V13 HydrophobicContact CD1-CB 4.42Å; L11-V13 HydrophobicContact CD1-CG1 3.37Å; L11-M45 HydrophobicContact CD1-CE 4.48Å; L11-M45 HydrophobicContact CD1-SD 4.36Å; L11-M45 HydrophobicContact CD2-CE 3.68Å; L11-M45 HydrophobicContact CD2-SD 4.38Å; L11-F47 HydrophobicContact CD2-CB 4.12Å; L11-F47 HydrophobicContact CD2-CD1 3.23Å; L11-F47 HydrophobicContact CD2-CD2 3.81Å; L11-F47 HydrophobicContact CD2-CE1 3.33Å; L11-F47 HydrophobicContact CD2-CE2 3.93Å; L11-F47 HydrophobicContact CD2-CG 3.45Å; L11-F47 VanDerWaalsContact CD2-CG 3.45Å; L11-F47 HydrophobicContact CD2-CZ 3.69Å; L11-F47 HydrophobicContact CG-CD1 4.31Å; L11-F47 HydrophobicContact CG-CE1 3.96Å; L11-F47 HydrophobicContact CG-CZ 4.16Å; L11-A54 HydrophobicContact CB-CB 4.23Å; L11-A54 HydrophobicContact CD2-CB 4.03Å; L11-V314 PolarHBondContact O-N 2.95Å |
| 12 | Q | 95.1 | Very high | 93.7 | Very high | 99 Ų | 99 | 40.7 Ų | 40.7 | 46% | 0.463 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.3 | 173.4 | -166.1 | -177.7 | 11 | 0 | 0 | 110.3 | S311 G312 W313 | Q12-S311 PolarHBondContact NE2-O 3.13Å; Q12-G312 CarbonylContact C-O 3.59Å; Q12-G312 WeakPolarHBondContact CA-O 3.44Å; Q12-W313 HydrophobicContact CB-CD2 4.12Å; Q12-W313 HydrophobicContact CB-CE3 4.07Å; Q12-W313 HydrophobicContact CB-CH2 4.37Å; Q12-W313 HydrophobicContact CB-CZ2 4.41Å; Q12-W313 HydrophobicContact CB-CZ3 4.2Å; Q12-W313 VanDerWaalsContact CD-CE2 3.48Å; Q12-W313 HydrophobicContact CG-CD2 3.99Å; Q12-W313 HydrophobicContact CG-CE3 4.46Å; Q12-W313 HydrophobicContact CG-CG 4.22Å; Q12-W313 HydrophobicContact CG-CZ2 4.38Å |
| 13 | V | 96.4 | Very high | 94.6 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 13% | 0.127 | 18% | 0.181 | C | C | . | . | trans | -100.5 | -174.6 | 170.5 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | L11 T16 I37 M45 G312 | L11-V13 HydrophobicContact CD1-CB 4.42Å; L11-V13 HydrophobicContact CD1-CG1 3.37Å; V13-T16 HydrophobicContact CG2-CG2 3.86Å; V13-I37 HydrophobicContact CG1-CG2 3.7Å; V13-I37 HydrophobicContact CG2-CD1 3.6Å; V13-I37 HydrophobicContact CG2-CG1 4.03Å; V13-I37 HydrophobicContact CG2-CG2 4.26Å; V13-M45 HydrophobicContact CG1-SD 4.31Å; V13-G312 WeakPolarHBondContact CG2-O 3.17Å; V13-G312 PolarHBondContact N-O 2.79Å | ||
| 14 | G | 95.5 | Very high | 95.3 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 21% | 0.206 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -66.8 | 179.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T16 G312 | G14-T16 WeakPolarHBondContact O-CG2 3.37Å; G14-T16 PolarHBondContact O-N 3.4Å; G14-G312 WeakPolarHBondContact O-CA 3.44Å |
| 15 | V | 97.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | trans | -58.8 | 137.5 | -179.8 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | D39 H40 Y310 Q401 | V15-D39 CarbonylContact O-C 3.55Å; V15-D39 WeakPolarHBondContact O-CA 3.21Å; V15-H40 HydrophobicContact CB-CB 4.28Å; V15-H40 WeakPolarHBondContact CG1-CE1 3.49Å; V15-H40 VanDerWaalsContact CG1-ND1 3.28Å; V15-H40 WeakPolarHBondContact CG1-ND1 3.4Å; V15-H40 WeakPolarHBondContact O-CB 3.46Å; V15-H40 PolarHBondContact O-CD2 3.16Å; V15-H40 VanDerWaalsContact O-CD2 3.23Å; V15-H40 VanDerWaalsContact O-CG 3.25Å; V15-H40 PolarHBondContact O-N 3.04Å; V15-Y310 CarbonylContact C-O 3.56Å; V15-Y310 VanDerWaalsContact CA-O 3.26Å; V15-Y310 WeakPolarHBondContact CA-O 3.15Å; V15-Y310 HydrophobicContact CG1-CD1 4.35Å; V15-Y310 HydrophobicContact CG1-CD2 3.74Å; V15-Y310 HydrophobicContact CG1-CE1 3.99Å; V15-Y310 HydrophobicContact CG1-CE2 3.29Å; V15-Y310 HydrophobicContact CG1-CG 4.25Å; V15-Y310 VanDerWaalsContact CG1-CZ 3.44Å; V15-Y310 VanDerWaalsContact CG1-O 3.3Å; V15-Y310 WeakPolarHBondContact CG1-O 3.09Å; V15-Q401 HydrophobicContact CG2-CB 3.41Å; V15-Q401 VanDerWaalsContact CG2-CB 3.41Å; V15-Q401 HydrophobicContact CG2-CG 4.26Å | ||
| 16 | T | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 150.1 | -174.6 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | V13 G14 I37 H40 T290 T309 Y310 | V13-T16 HydrophobicContact CG2-CG2 3.86Å; G14-T16 WeakPolarHBondContact O-CG2 3.37Å; G14-T16 PolarHBondContact O-N 3.4Å; T16-I37 HydrophobicContact CG2-CD1 3.98Å; T16-I37 HydrophobicContact CG2-CG1 4.2Å; T16-H40 PolarHBondContact O-NE2 2.94Å; T16-T290 PolarHBondContact OG1-OG1 3.03Å; T16-T309 PolarHBondContact OG1-O 2.73Å; T16-Y310 PolarHBondContact N-O 2.8Å |
| 17 | S | 97.6 | Very high | 94.2 | Very high | 16 Ų | 16 | 36 Ų | 36 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 166.3 | 169.7 | -76.3 | 0 | 0 | 0 | 0 | 111.5 | K19 T20 H40 K65 | S17-K19 PolarHBondContact O-N 3.32Å; S17-T20 PolarHBondContact N-OG1 2.91Å; S17-T20 WeakPolarHBondContact O-CB 3.46Å; S17-T20 WeakPolarHBondContact O-CG2 3.1Å; S17-T20 PolarHBondContact O-N 3.15Å; S17-T20 PolarHBondContact O-OG1 2.81Å; S17-H40 PolarHBondContact N-NE2 2.84Å; S17-H40 PolarHBondContact OG-CD2 3.29Å; S17-H40 PolarHBondContact OG-NE2 3.33Å; S17-K65 WeakPolarHBondContact OG-CE 3.23Å; S17-K65 PolarHBondContact OG-NZ 2.87Å |
| 18 | Q | 97.6 | Very high | 93.5 | Very high | 42 Ų | 42 | 40.2 Ų | 40.2 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 131.7 | 176.7 | -170 | -159 | 21.9 | 0 | 0 | 111.9 | R68 T191 L242 T290 | Q18-R68 PolarHBondContact O-NH1 3.22Å; Q18-R68 VanDerWaalsContact OE1-NH1 3.13Å; Q18-T191 PolarHBondContact NE2-O 3.43Å; Q18-L242 HydrophobicContact CG-CB 4.35Å; Q18-L242 WeakPolarHBondContact CG-O 3.27Å; Q18-L242 PolarHBondContact NE2-O 3.32Å; Q18-T290 CarbonylContact C-O 3.56Å; Q18-T290 WeakPolarHBondContact CA-O 3.37Å |
| 19 | K | 98.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.9 | 53.4 | -178.9 | -61.9 | 166 | 61 | 176.7 | 0 | 112.4 | S17 L69 D149 V192 L193 C243 T290 S291 | S17-K19 PolarHBondContact O-N 3.32Å; K19-L69 PolarHBondContact O-N 2.63Å; K19-D149 IonicContact NZ-OD1 3.15Å; K19-D149 IonicContact NZ-OD2 3.47Å; K19-D149 PolarHBondContact NZ-OD2 3.16Å; K19-V192 HydrophobicContact CD-CG2 3.82Å; K19-L193 PolarHBondContact NZ-O 2.83Å; K19-C243 HydrophobicContact CG-CB 4.36Å; K19-T290 PolarHBondContact N-O 2.87Å; K19-S291 VanDerWaalsContact CA-OG 3.27Å; K19-S291 WeakPolarHBondContact CA-OG 3.34Å; K19-S291 PolarHBondContact N-OG 2.77Å |
| 20 | T | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 6.1 | 175.2 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | S17 I37 G38 I66 S291 | S17-T20 PolarHBondContact N-OG1 2.91Å; S17-T20 WeakPolarHBondContact O-CB 3.46Å; S17-T20 WeakPolarHBondContact O-CG2 3.1Å; S17-T20 PolarHBondContact O-N 3.15Å; S17-T20 PolarHBondContact O-OG1 2.81Å; T20-I37 WeakPolarHBondContact O-CA 3.35Å; T20-G38 PolarHBondContact O-N 2.79Å; T20-G38 VanDerWaalsContact O-N 3.09Å; T20-G38 PolarHBondContact OG1-O 2.9Å; T20-I66 HydrophobicContact CG2-CG2 4.29Å; T20-S291 PolarHBondContact N-OG 3.48Å |
| 21 | M | 98.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 138.1 | 171.2 | -176.4 | -79.7 | -66.7 | 0 | 0 | 110.8 | L23 V35 V36 I37 S291 Q293 V306 | M21-L23 HydrophobicContact SD-CD2 4.18Å; M21-V35 HydrophobicContact CG-CG1 3.69Å; M21-V35 HydrophobicContact SD-CG1 4.02Å; M21-V36 CarbonylContact C-O 3.55Å; M21-V36 VanDerWaalsContact CA-O 3.31Å; M21-V36 WeakPolarHBondContact CA-O 3.3Å; M21-I37 HydrophobicContact CB-CB 4.47Å; M21-I37 HydrophobicContact CB-CD1 4.15Å; M21-I37 HydrophobicContact CB-CG1 4.18Å; M21-I37 HydrophobicContact CG-CB 4.43Å; M21-I37 HydrophobicContact CG-CD1 4.29Å; M21-S291 PolarHBondContact N-OG 3.49Å; M21-Q293 HydrophobicContact CE-CB 4.38Å; M21-V306 HydrophobicContact CE-CB 4.18Å; M21-V306 HydrophobicContact CE-CG1 3.91Å; M21-V306 VanDerWaalsContact CE-O 3.3Å; M21-V306 WeakPolarHBondContact CE-O 3.42Å; M21-V306 HydrophobicContact SD-CG1 4.21Å |
| 22 | K | 98.2 | Very high | 91.4 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 11% | 0.113 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 151.9 | 172.9 | -63.7 | -70.1 | 173.3 | 157.2 | 0 | 111.3 | V36 L69 E70 L71 Q293 | K22-V36 PolarHBondContact N-O 3.05Å; K22-V36 PolarHBondContact O-N 2.89Å; K22-L69 HydrophobicContact CB-CD2 3.74Å; K22-L69 VanDerWaalsContact CE-O 3.25Å; K22-L69 WeakPolarHBondContact CE-O 3.4Å; K22-L69 HydrophobicContact CG-CD2 3.4Å; K22-E70 VanDerWaalsContact CE-CD 3.5Å; K22-E70 WeakPolarHBondContact CE-OE1 3.37Å; K22-E70 WeakPolarHBondContact CE-OE2 3.45Å; K22-E70 IonicContact NZ-OE1 2.64Å; K22-E70 PolarHBondContact NZ-OE1 2.88Å; K22-E70 IonicContact NZ-OE2 3.43Å; K22-E70 PolarHBondContact NZ-OE2 3.25Å; K22-L71 HydrophobicContact CB-CD1 3.95Å; K22-L71 HydrophobicContact CB-CD2 4.13Å; K22-L71 HydrophobicContact CB-CG 3.78Å; K22-L71 HydrophobicContact CG-CG 4.08Å; K22-Q293 VanDerWaalsContact CD-NE2 3.34Å |
| 23 | L | 97.5 | Very high | 91.4 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.2 | 172.1 | -58.9 | -175.1 | 0 | 0 | 0 | 109.4 | M21 V35 L71 Q293 V297 V306 | M21-L23 HydrophobicContact SD-CD2 4.18Å; L23-V35 HydrophobicContact CD2-CB 4.3Å; L23-V35 HydrophobicContact CD2-CG1 4.48Å; L23-V35 HydrophobicContact CD2-CG2 3.66Å; L23-L71 WeakPolarHBondContact O-CD1 3.23Å; L23-Q293 VanDerWaalsContact CB-OE1 3.32Å; L23-Q293 HydrophobicContact CD1-CB 3.9Å; L23-Q293 HydrophobicContact CG-CB 3.97Å; L23-V297 HydrophobicContact CD1-CG2 4.44Å; L23-V297 HydrophobicContact CD2-CG2 3.79Å; L23-V306 HydrophobicContact CD1-CB 4.45Å; L23-V306 HydrophobicContact CD1-CG2 4.06Å; L23-V306 HydrophobicContact CD2-CB 4.3Å; L23-V306 HydrophobicContact CD2-CG1 4.36Å; L23-V306 HydrophobicContact CD2-CG2 4.12Å |
| 24 | L | 96.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 142.6 | 171.5 | -71.3 | 170.2 | 0 | 0 | 0 | 109.8 | A26 Q33 K34 V36 L71 I82 K95 | L24-A26 PolarHBondContact O-N 2.74Å; L24-Q33 WeakPolarHBondContact O-CB 3.41Å; L24-Q33 WeakPolarHBondContact O-CG 3.43Å; L24-Q33 PolarHBondContact O-NE2 2.77Å; L24-K34 HydrophobicContact CB-CB 4.35Å; L24-K34 HydrophobicContact CD1-CB 4.03Å; L24-K34 PolarHBondContact N-O 3.1Å; L24-V36 HydrophobicContact CD1-CG2 3.69Å; L24-V36 HydrophobicContact CD2-CG2 4.25Å; L24-V36 HydrophobicContact CG-CG2 3.68Å; L24-L71 HydrophobicContact CD2-CD1 4.34Å; L24-L71 HydrophobicContact CD2-CD2 3.92Å; L24-I82 HydrophobicContact CD2-CD1 4.31Å; L24-I82 HydrophobicContact CD2-CG1 4.05Å; L24-K95 HydrophobicContact CD1-CB 4.06Å |
| 25 | P | 91.6 | Very high | 91.5 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 31% | 0.312 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -54.1 | 139.1 | 179.2 | -26 | 33.2 | 0 | 0 | 0 | 112.5 | P78 Q79 E80 | P25-P78 HydrophobicContact CB-CB 4.46Å; P25-P78 HydrophobicContact CG-CB 4.46Å; P25-Q79 VanDerWaalsContact CD-O 3.29Å; P25-Q79 WeakPolarHBondContact CD-O 3.24Å; P25-Q79 WeakPolarHBondContact CG-O 3.18Å; P25-E80 HydrophobicContact CG-CG 4.44Å |
| 26 | A | 83.6 | Confident | 91.6 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 143.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L24 R28 Q33 | L24-A26 PolarHBondContact O-N 2.74Å; A26-R28 VanDerWaalsContact C-N 3.26Å; A26-R28 VanDerWaalsContact CB-O 3.26Å; A26-R28 WeakPolarHBondContact CB-O 3.05Å; A26-R28 PolarHBondContact O-N 2.78Å; A26-Q33 HydrophobicContact CB-CG 3.7Å |
| 27 | S | 76.8 | Confident | 91.6 | Very high | 111 Ų | 111 | 47.5 Ų | 47.5 | 78% | 0.776 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -72.2 | -22.1 | 175.9 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 28 | R | 77.9 | Confident | 91.7 | Very high | 201 Ų | 201 | 46.7 Ų | 46.7 | 76% | 0.758 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -147.1 | 157.1 | 178.1 | -62.2 | -178 | -179.4 | 177 | -0.9 | 108.6 | A26 R30 A31 | A26-R28 VanDerWaalsContact C-N 3.26Å; A26-R28 VanDerWaalsContact CB-O 3.26Å; A26-R28 WeakPolarHBondContact CB-O 3.05Å; A26-R28 PolarHBondContact O-N 2.78Å; R28-R30 PolarHBondContact O-N 3.37Å; R28-A31 HydrophobicContact CB-CB 4.12Å; R28-A31 WeakPolarHBondContact O-CB 3.4Å; R28-A31 PolarHBondContact O-N 3.35Å; R28-A31 VanDerWaalsContact O-N 3.16Å |
| 29 | H | 73.9 | Confident | 91.7 | Very high | 166 Ų | 166 | 45.2 Ų | 45.2 | 77% | 0.769 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 127.9 | 174 | -173.6 | -82.5 | 0 | 0 | 0 | 110.3 | A31 | H29-A31 PolarHBondContact O-N 3Š|
| 30 | R | 72.2 | Confident | 91.6 | Very high | 113 Ų | 113 | 46 Ų | 46 | 43% | 0.426 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 20 | 179.9 | -77.5 | -179.4 | 177.8 | 175 | 2.4 | 116.5 | R28 S301 D303 | R28-R30 PolarHBondContact O-N 3.37Å; R30-S301 PolarHBondContact O-N 3.07Å; R30-D303 IonicContact CZ-OD2 3.55Å; R30-D303 IonicContact NE-OD2 2.66Å; R30-D303 IonicContact NH2-OD2 2.76Å; R30-D303 PolarHBondContact NH2-OD2 2.88Å |
| 31 | A | 87.1 | Confident | 91.5 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 149.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R28 H29 Q33 | R28-A31 HydrophobicContact CB-CB 4.12Å; R28-A31 WeakPolarHBondContact O-CB 3.4Å; R28-A31 PolarHBondContact O-N 3.35Å; R28-A31 VanDerWaalsContact O-N 3.16Å; H29-A31 PolarHBondContact O-N 3Å; A31-Q33 PolarHBondContact O-N 2.96Å |
| 32 | T | 92.1 | Very high | 91.4 | Very high | 48 Ų | 48 | 50.8 Ų | 50.8 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 124.4 | 173.5 | 40.9 | 0 | 0 | 0 | 0 | 111.5 | C296 V297 D300 | T32-C296 CarbonylContact C-O 3.55Å; T32-C296 WeakPolarHBondContact CA-O 3.34Å; T32-V297 VanDerWaalsContact CG2-O 3.25Å; T32-V297 WeakPolarHBondContact CG2-O 3.43Å; T32-D300 VanDerWaalsContact CB-OD1 3.3Å; T32-D300 WeakPolarHBondContact CB-OD1 3.41Å; T32-D300 WeakPolarHBondContact CG2-OD1 3.42Å; T32-D300 PolarHBondContact N-OD1 3.48Å; T32-D300 PolarHBondContact OG1-OD1 3.28Å |
| 33 | Q | 95.6 | Very high | 91.4 | Very high | 31 Ų | 31 | 50 Ų | 50 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 169.9 | 174.1 | -67 | 178.2 | -86.8 | 0 | 0 | 110.1 | L24 A26 A31 C296 V297 | L24-Q33 WeakPolarHBondContact O-CB 3.41Å; L24-Q33 WeakPolarHBondContact O-CG 3.43Å; L24-Q33 PolarHBondContact O-NE2 2.77Å; A26-Q33 HydrophobicContact CB-CG 3.7Å; A31-Q33 PolarHBondContact O-N 2.96Å; Q33-C296 WeakPolarHBondContact CB-O 3.49Å; Q33-C296 PolarHBondContact N-O 3.08Å; Q33-V297 HydrophobicContact CB-CG2 4.42Å |
| 34 | K | 96.4 | Very high | 91.4 | Very high | 89 Ų | 89 | 49.7 Ų | 49.7 | 39% | 0.387 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.3 | 175.6 | -70.2 | 173.9 | 174.8 | -171.4 | 0 | 109 | L24 F47 V57 | L24-K34 HydrophobicContact CB-CB 4.35Å; L24-K34 HydrophobicContact CD1-CB 4.03Å; L24-K34 PolarHBondContact N-O 3.1Å; K34-F47 CarbonylContact C-O 3.58Å; K34-F47 VanDerWaalsContact CA-O 3.31Å; K34-F47 WeakPolarHBondContact CA-O 3.34Å; K34-F47 WeakPolarHBondContact CB-O 3.31Å; K34-V57 HydrophobicContact CD-CG2 4Å |
| 35 | V | 98 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 137.4 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | M21 L23 C46 F47 V297 V306 V314 | M21-V35 HydrophobicContact CG-CG1 3.69Å; M21-V35 HydrophobicContact SD-CG1 4.02Å; L23-V35 HydrophobicContact CD2-CB 4.3Å; L23-V35 HydrophobicContact CD2-CG1 4.48Å; L23-V35 HydrophobicContact CD2-CG2 3.66Å; V35-C46 CarbonylContact O-C 3.57Å; V35-C46 VanDerWaalsContact O-CA 3.24Å; V35-C46 WeakPolarHBondContact O-CA 3.34Å; V35-F47 HydrophobicContact CB-CD1 3.91Å; V35-F47 HydrophobicContact CB-CE1 3.43Å; V35-F47 VanDerWaalsContact CB-CE1 3.43Å; V35-F47 HydrophobicContact CB-CE2 4.17Å; V35-F47 HydrophobicContact CB-CZ 3.58Å; V35-F47 HydrophobicContact CG1-CD1 4.37Å; V35-F47 HydrophobicContact CG1-CE1 3.6Å; V35-F47 HydrophobicContact CG1-CZ 3.96Å; V35-F47 HydrophobicContact CG2-CE1 4.07Å; V35-F47 HydrophobicContact CG2-CE2 4.02Å; V35-F47 HydrophobicContact CG2-CZ 3.65Å; V35-F47 PolarHBondContact N-O 2.82Å; V35-F47 PolarHBondContact O-N 2.86Å; V35-V297 HydrophobicContact CG2-CB 4.45Å; V35-V297 HydrophobicContact CG2-CG1 3.74Å; V35-V297 HydrophobicContact CG2-CG2 3.9Å; V35-V306 HydrophobicContact CG2-CG1 4.41Å; V35-V314 HydrophobicContact CG1-CG1 4.27Å |
| 36 | V | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.2 | 169.7 | -173.9 | 0 | 0 | 0 | 0 | 107.6 | M21 K22 L24 V44 M45 C46 L69 I82 | M21-V36 CarbonylContact C-O 3.55Å; M21-V36 VanDerWaalsContact CA-O 3.31Å; M21-V36 WeakPolarHBondContact CA-O 3.3Å; K22-V36 PolarHBondContact N-O 3.05Å; K22-V36 PolarHBondContact O-N 2.89Å; L24-V36 HydrophobicContact CD1-CG2 3.69Å; L24-V36 HydrophobicContact CD2-CG2 4.25Å; L24-V36 HydrophobicContact CG-CG2 3.68Å; V36-V44 HydrophobicContact CG1-CG1 3.93Å; V36-M45 WeakPolarHBondContact CA-O 3.42Å; V36-C46 HydrophobicContact CG2-CB 4.01Å; V36-L69 HydrophobicContact CG1-CD1 3.85Å; V36-L69 HydrophobicContact CG1-CD2 4.5Å; V36-I82 HydrophobicContact CB-CD1 4.45Å; V36-I82 HydrophobicContact CG1-CD1 3.92Å; V36-I82 HydrophobicContact CG1-CG1 4.28Å; V36-I82 HydrophobicContact CG1-CG2 3.84Å; V36-I82 HydrophobicContact CG2-CD1 3.73Å; V36-I82 HydrophobicContact CG2-CG1 4.23Å |
| 37 | I | 98.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 143 | -176.4 | -169.1 | 161.6 | 0 | 0 | 0 | 110.7 | V13 T16 T20 M21 V44 M45 S308 V314 | V13-I37 HydrophobicContact CG1-CG2 3.7Å; V13-I37 HydrophobicContact CG2-CD1 3.6Å; V13-I37 HydrophobicContact CG2-CG1 4.03Å; V13-I37 HydrophobicContact CG2-CG2 4.26Å; T16-I37 HydrophobicContact CG2-CD1 3.98Å; T16-I37 HydrophobicContact CG2-CG1 4.2Å; T20-I37 WeakPolarHBondContact O-CA 3.35Å; M21-I37 HydrophobicContact CB-CB 4.47Å; M21-I37 HydrophobicContact CB-CD1 4.15Å; M21-I37 HydrophobicContact CB-CG1 4.18Å; M21-I37 HydrophobicContact CG-CB 4.43Å; M21-I37 HydrophobicContact CG-CD1 4.29Å; I37-V44 WeakPolarHBondContact O-CA 3.24Å; I37-M45 HydrophobicContact CG2-CB 4.31Å; I37-M45 PolarHBondContact N-O 2.78Å; I37-M45 PolarHBondContact O-N 2.79Å; I37-S308 WeakPolarHBondContact CD1-OG 3.38Å; I37-V314 HydrophobicContact CD1-CG2 3.54Å |
| 38 | G | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | T20 V43 | T20-G38 PolarHBondContact O-N 2.79Å; T20-G38 VanDerWaalsContact O-N 3.09Å; T20-G38 PolarHBondContact OG1-O 2.9Å; G38-V43 WeakPolarHBondContact CA-O 3.44Å |
| 39 | D | 97.6 | Very high | 94 | Very high | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 177.4 | -177 | 66.1 | 27.8 | 0 | 0 | 0 | 114.2 | V15 D41 G42 V43 I66 | V15-D39 CarbonylContact O-C 3.55Å; V15-D39 WeakPolarHBondContact O-CA 3.21Å; D39-D41 PolarHBondContact O-N 2.9Å; D39-D41 WeakPolarHBondContact OD1-CA 3.49Å; D39-D41 WeakPolarHBondContact OD1-CB 3.39Å; D39-D41 PolarHBondContact OD1-N 2.92Å; D39-G42 PolarHBondContact O-N 2.95Å; D39-G42 PolarHBondContact OD1-N 2.98Å; D39-V43 PolarHBondContact N-O 3.03Å; D39-V43 WeakPolarHBondContact OD1-CB 3.37Å; D39-V43 PolarHBondContact OD1-N 2.86Å; D39-I66 WeakPolarHBondContact O-CB 3.49Å; D39-I66 WeakPolarHBondContact O-CG1 3.36Å; D39-I66 PolarHBondContact O-N 3.39Å |
| 40 | H | 97.1 | Very high | 94.5 | Very high | 43 Ų | 43 | 32.9 Ų | 32.9 | 20% | 0.199 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -14.6 | 179 | -72.4 | -178.1 | 0 | 0 | 0 | 114.1 | V15 T16 S17 G42 K65 | V15-H40 HydrophobicContact CB-CB 4.28Å; V15-H40 WeakPolarHBondContact CG1-CE1 3.49Å; V15-H40 VanDerWaalsContact CG1-ND1 3.28Å; V15-H40 WeakPolarHBondContact CG1-ND1 3.4Å; V15-H40 WeakPolarHBondContact O-CB 3.46Å; V15-H40 PolarHBondContact O-CD2 3.16Å; V15-H40 VanDerWaalsContact O-CD2 3.23Å; V15-H40 VanDerWaalsContact O-CG 3.25Å; V15-H40 PolarHBondContact O-N 3.04Å; T16-H40 PolarHBondContact O-NE2 2.94Å; S17-H40 PolarHBondContact N-NE2 2.84Å; S17-H40 PolarHBondContact OG-CD2 3.29Å; S17-H40 PolarHBondContact OG-NE2 3.33Å; H40-G42 PolarHBondContact O-N 2.74Å; H40-K65 HydrophobicContact CB-CD 4.44Å; H40-K65 HydrophobicContact CB-CG 4.31Å; H40-K65 VanDerWaalsContact CD2-CE 3.41Å; H40-K65 WeakPolarHBondContact CD2-CE 3.27Å; H40-K65 PolarHBondContact CE1-NZ 3.42Å; H40-K65 VanDerWaalsContact CE1-NZ 3.27Å; H40-K65 WeakPolarHBondContact NE2-CE 3.22Å; H40-K65 PolarHBondContact NE2-NZ 2.59Å; H40-K65 WeakPolarHBondContact O-CA 3.24Å |
| 41 | D | 96.1 | Very high | 94.9 | Very high | 103 Ų | 103 | 37.7 Ų | 37.7 | 55% | 0.551 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 4.8 | 172 | -62.6 | -37.9 | 0 | 0 | 0 | 111.5 | D39 V43 P62 G63 | D39-D41 PolarHBondContact O-N 2.9Å; D39-D41 WeakPolarHBondContact OD1-CA 3.49Å; D39-D41 WeakPolarHBondContact OD1-CB 3.39Å; D39-D41 PolarHBondContact OD1-N 2.92Å; D41-V43 HydrophobicContact CB-CG2 4.34Å; D41-V43 PolarHBondContact O-N 2.83Å; D41-P62 CarbonylContact O-C 3.57Å; D41-P62 VanDerWaalsContact O-CA 3.25Å; D41-P62 WeakPolarHBondContact O-CA 3.25Å; D41-P62 WeakPolarHBondContact O-CB 3.48Å; D41-G63 CarbonylContact C-O 3.6Å; D41-G63 PolarHBondContact O-N 3.37Å; D41-G63 VanDerWaalsContact O-O 3.06Å |
| 42 | G | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 75.2 | 13.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D39 H40 P64 | D39-G42 PolarHBondContact O-N 2.95Å; D39-G42 PolarHBondContact OD1-N 2.98Å; H40-G42 PolarHBondContact O-N 2.74Å; G42-P64 WeakPolarHBondContact CA-O 3.17Å |
| 43 | V | 97.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | trans | -88.1 | 129.4 | 179.4 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | G38 D39 D41 K59 P62 | G38-V43 WeakPolarHBondContact CA-O 3.44Å; D39-V43 PolarHBondContact N-O 3.03Å; D39-V43 WeakPolarHBondContact OD1-CB 3.37Å; D39-V43 PolarHBondContact OD1-N 2.86Å; D41-V43 HydrophobicContact CB-CG2 4.34Å; D41-V43 PolarHBondContact O-N 2.83Å; V43-K59 HydrophobicContact CG1-CD 4.17Å; V43-K59 VanDerWaalsContact CG1-CE 3.44Å; V43-K59 HydrophobicContact CG1-CG 3.59Å; V43-P62 HydrophobicContact CG2-CB 4.1Å; V43-P62 HydrophobicContact CG2-CG 3.91Å | ||
| 44 | V | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.5 | 169.3 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | V36 I37 F58 K59 T60 I66 L69 I84 | V36-V44 HydrophobicContact CG1-CG1 3.93Å; I37-V44 WeakPolarHBondContact O-CA 3.24Å; V44-F58 HydrophobicContact CG1-CE2 4.23Å; V44-F58 HydrophobicContact CG1-CZ 4.48Å; V44-K59 WeakPolarHBondContact O-CA 3.47Å; V44-T60 HydrophobicContact CB-CG2 4.09Å; V44-T60 PolarHBondContact N-OG1 3.21Å; V44-T60 PolarHBondContact O-N 2.84Å; V44-I66 HydrophobicContact CG2-CD1 4.31Å; V44-I66 HydrophobicContact CG2-CG1 4.26Å; V44-L69 HydrophobicContact CG1-CD1 4.4Å; V44-I84 HydrophobicContact CG2-CD1 3.54Å; V44-I84 HydrophobicContact CG2-CG2 3.9Å |
| 45 | M | 97.8 | Very high | 93.6 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.8 | 179 | -175.5 | 171.1 | 171.3 | 0 | 0 | 109.6 | L11 V13 V36 I37 F47 A56 | L11-M45 HydrophobicContact CD1-CE 4.48Å; L11-M45 HydrophobicContact CD1-SD 4.36Å; L11-M45 HydrophobicContact CD2-CE 3.68Å; L11-M45 HydrophobicContact CD2-SD 4.38Å; V13-M45 HydrophobicContact CG1-SD 4.31Å; V36-M45 WeakPolarHBondContact CA-O 3.42Å; I37-M45 HydrophobicContact CG2-CB 4.31Å; I37-M45 PolarHBondContact N-O 2.78Å; I37-M45 PolarHBondContact O-N 2.79Å; M45-F47 HydrophobicContact CE-CB 4.15Å; M45-A56 HydrophobicContact CE-CB 3.97Å |
| 46 | C | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132 | 165.3 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | V35 V36 V57 F58 | V35-C46 CarbonylContact O-C 3.57Å; V35-C46 VanDerWaalsContact O-CA 3.24Å; V35-C46 WeakPolarHBondContact O-CA 3.34Å; V36-C46 HydrophobicContact CG2-CB 4.01Å; C46-V57 HydrophobicContact CB-CB 4.28Å; C46-V57 WeakPolarHBondContact O-CB 3.23Å; C46-V57 PolarHBondContact O-N 2.89Å; C46-F58 HydrophobicContact CB-CD1 3.54Å; C46-F58 HydrophobicContact CB-CE1 3.23Å; C46-F58 HydrophobicContact CB-CE2 4.5Å; C46-F58 HydrophobicContact CB-CG 4.31Å; C46-F58 HydrophobicContact CB-CZ 3.77Å; C46-F58 PolarHBondContact N-O 3.08Å; C46-F58 PolarHBondContact O-N 2.96Å |
| 47 | F | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 162.9 | 176.1 | 73.8 | -88.9 | 0 | 0 | 0 | 111.4 | L11 K34 V35 M45 M49 A54 G55 V314 | L11-F47 HydrophobicContact CD2-CB 4.12Å; L11-F47 HydrophobicContact CD2-CD1 3.23Å; L11-F47 HydrophobicContact CD2-CD2 3.81Å; L11-F47 HydrophobicContact CD2-CE1 3.33Å; L11-F47 HydrophobicContact CD2-CE2 3.93Å; L11-F47 HydrophobicContact CD2-CG 3.45Å; L11-F47 VanDerWaalsContact CD2-CG 3.45Å; L11-F47 HydrophobicContact CD2-CZ 3.69Å; L11-F47 HydrophobicContact CG-CD1 4.31Å; L11-F47 HydrophobicContact CG-CE1 3.96Å; L11-F47 HydrophobicContact CG-CZ 4.16Å; K34-F47 CarbonylContact C-O 3.58Å; K34-F47 VanDerWaalsContact CA-O 3.31Å; K34-F47 WeakPolarHBondContact CA-O 3.34Å; K34-F47 WeakPolarHBondContact CB-O 3.31Å; V35-F47 HydrophobicContact CB-CD1 3.91Å; V35-F47 HydrophobicContact CB-CE1 3.43Å; V35-F47 VanDerWaalsContact CB-CE1 3.43Å; V35-F47 HydrophobicContact CB-CE2 4.17Å; V35-F47 HydrophobicContact CB-CZ 3.58Å; V35-F47 HydrophobicContact CG1-CD1 4.37Å; V35-F47 HydrophobicContact CG1-CE1 3.6Å; V35-F47 HydrophobicContact CG1-CZ 3.96Å; V35-F47 HydrophobicContact CG2-CE1 4.07Å; V35-F47 HydrophobicContact CG2-CE2 4.02Å; V35-F47 HydrophobicContact CG2-CZ 3.65Å; V35-F47 PolarHBondContact N-O 2.82Å; V35-F47 PolarHBondContact O-N 2.86Å; M45-F47 HydrophobicContact CE-CB 4.15Å; F47-M49 HydrophobicContact CE2-SD 4.38Å; F47-A54 HydrophobicContact CD2-CB 3.78Å; F47-A54 HydrophobicContact CE2-CB 4.11Å; F47-G55 VanDerWaalsContact CA-O 3.28Å; F47-G55 WeakPolarHBondContact CA-O 3.42Å; F47-G55 WeakPolarHBondContact CB-O 2.98Å; F47-V314 HydrophobicContact CE1-CG1 4.42Å; F47-V314 HydrophobicContact CE1-CG2 4.45Å; F47-V314 HydrophobicContact CZ-CB 4.34Å; F47-V314 HydrophobicContact CZ-CG1 3.99Å |
| 48 | G | 94.8 | Very high | 93.2 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | G55 | G48-G55 PolarHBondContact N-O 3.08Å; G48-G55 PolarHBondContact O-N 3.05Å |
| 49 | M | 92.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 56.3 Ų | 56.3 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 133.8 | -178.8 | -60.7 | -61.3 | -71 | 0 | 0 | 110.5 | Y10 F47 G52 E53 A54 V297 | Y10-M49 HydrophobicContact CD1-CE 3.66Å; Y10-M49 HydrophobicContact CD1-CG 4.29Å; Y10-M49 HydrophobicContact CD1-SD 3.65Å; Y10-M49 HydrophobicContact CE1-CE 4.03Å; Y10-M49 HydrophobicContact CE1-CG 4.28Å; Y10-M49 HydrophobicContact CE1-SD 4.2Å; Y10-M49 HydrophobicContact CG-SD 4.31Å; F47-M49 HydrophobicContact CE2-SD 4.38Å; M49-G52 VanDerWaalsContact CE-C 3.47Å; M49-G52 VanDerWaalsContact CE-O 3.23Å; M49-G52 WeakPolarHBondContact CE-O 3.42Å; M49-E53 WeakPolarHBondContact CA-O 3.14Å; M49-A54 HydrophobicContact SD-CB 3.82Å; M49-V297 VanDerWaalsContact CB-O 3.26Å; M49-V297 WeakPolarHBondContact CB-O 3.45Å; M49-V297 HydrophobicContact CG-CG1 3.83Å; M49-V297 WeakPolarHBondContact CG-O 3.4Å |
| 50 | K | 84.4 | Confident | 93.2 | Very high | 165 Ų | 165 | 57 Ų | 57 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 119.6 | 170.5 | -71.1 | -175.4 | 179.9 | 177.9 | 0 | 108.2 | G52 E53 | K50-G52 PolarHBondContact O-N 3.36Å; K50-E53 PolarHBondContact N-O 2.99Å; K50-E53 PolarHBondContact O-N 3.24Å; K50-E53 VanDerWaalsContact O-N 3.11Å |
| 51 | K | 79.8 | Confident | 93.1 | Very high | 214 Ų | 214 | 62.1 Ų | 62.1 | 93% | 0.93 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 39.6 | -178.9 | -56 | -178.6 | 176.4 | -177.2 | 0 | 113.2 | E53 | K51-E53 VanDerWaalsContact C-N 3.27Å; K51-E53 PolarHBondContact O-N 3.33Å |
| 52 | G | 78.1 | Confident | 93.2 | Very high | 63 Ų | 63 | 61.9 Ų | 61.9 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -1.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | M49 K50 | M49-G52 VanDerWaalsContact CE-C 3.47Å; M49-G52 VanDerWaalsContact CE-O 3.23Å; M49-G52 WeakPolarHBondContact CE-O 3.42Å; K50-G52 PolarHBondContact O-N 3.36Å |
| 53 | E | 85.1 | Confident | 93.1 | Very high | 152 Ų | 152 | 63.5 Ų | 63.5 | 71% | 0.71 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 141.2 | 177.4 | -66.5 | -179.7 | 174.9 | 0 | 0 | 112 | M49 K50 K51 G55 | M49-E53 WeakPolarHBondContact CA-O 3.14Å; K50-E53 PolarHBondContact N-O 2.99Å; K50-E53 PolarHBondContact O-N 3.24Å; K50-E53 VanDerWaalsContact O-N 3.11Å; K51-E53 VanDerWaalsContact C-N 3.27Å; K51-E53 PolarHBondContact O-N 3.33Å; E53-G55 PolarHBondContact O-N 3.43Å |
| 54 | A | 90.4 | Very high | 93 | Very high | 35 Ų | 35 | 66.1 Ų | 66.1 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 105.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L11 F47 M49 | L11-A54 HydrophobicContact CB-CB 4.23Å; L11-A54 HydrophobicContact CD2-CB 4.03Å; F47-A54 HydrophobicContact CD2-CB 3.78Å; F47-A54 HydrophobicContact CE2-CB 4.11Å; M49-A54 HydrophobicContact SD-CB 3.82Å |
| 55 | G | 91.3 | Very high | 93 | Very high | 33 Ų | 33 | 71 Ų | 71 | 34% | 0.34 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F47 G48 E53 V57 | F47-G55 VanDerWaalsContact CA-O 3.28Å; F47-G55 WeakPolarHBondContact CA-O 3.42Å; F47-G55 WeakPolarHBondContact CB-O 2.98Å; G48-G55 PolarHBondContact N-O 3.08Å; G48-G55 PolarHBondContact O-N 3.05Å; E53-G55 PolarHBondContact O-N 3.43Å; G55-V57 PolarHBondContact O-N 3.49Å |
| 56 | A | 93.9 | Very high | 93 | Very high | 68 Ų | 68 | 69.7 Ų | 69.7 | 56% | 0.562 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 127.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M45 | M45-A56 HydrophobicContact CE-CB 3.97Å |
| 57 | V | 95.4 | Very high | 93 | Very high | 59 Ų | 59 | 70.5 Ų | 70.5 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -46.9 | 171.5 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | K34 C46 G55 | K34-V57 HydrophobicContact CD-CG2 4Å; C46-V57 HydrophobicContact CB-CB 4.28Å; C46-V57 WeakPolarHBondContact O-CB 3.23Å; C46-V57 PolarHBondContact O-N 2.89Å; G55-V57 PolarHBondContact O-N 3.49Å |
| 58 | F | 97.2 | Very high | 93 | Very high | 25 Ų | 25 | 70.7 Ų | 70.7 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 158.2 | 167.8 | 72.7 | -93.1 | 0 | 0 | 0 | 109.7 | V44 C46 T60 I82 G97 | V44-F58 HydrophobicContact CG1-CE2 4.23Å; V44-F58 HydrophobicContact CG1-CZ 4.48Å; C46-F58 HydrophobicContact CB-CD1 3.54Å; C46-F58 HydrophobicContact CB-CE1 3.23Å; C46-F58 HydrophobicContact CB-CE2 4.5Å; C46-F58 HydrophobicContact CB-CG 4.31Å; C46-F58 HydrophobicContact CB-CZ 3.77Å; C46-F58 PolarHBondContact N-O 3.08Å; C46-F58 PolarHBondContact O-N 2.96Å; F58-T60 HydrophobicContact CD2-CG2 4.29Å; F58-T60 HydrophobicContact CE2-CG2 4.16Å; F58-I82 HydrophobicContact CE1-CD1 4.07Å; F58-I82 HydrophobicContact CZ-CD1 3.88Å; F58-G97 VanDerWaalsContact CD1-CA 3.46Å; F58-G97 VanDerWaalsContact CG-CA 3.43Å |
| 59 | K | 97.3 | Very high | 93.2 | Very high | 142 Ų | 142 | 70.2 Ų | 70.2 | 62% | 0.617 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 127.5 | 172.9 | -172.7 | 175.4 | -176.7 | 175 | 0 | 107.9 | V43 V44 | V43-K59 HydrophobicContact CG1-CD 4.17Å; V43-K59 VanDerWaalsContact CG1-CE 3.44Å; V43-K59 HydrophobicContact CG1-CG 3.59Å; V44-K59 WeakPolarHBondContact O-CA 3.47Å |
| 60 | T | 97.4 | Very high | 93.4 | Very high | 26 Ų | 26 | 70.2 Ų | 70.2 | 16% | 0.16 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 168.3 | 178.3 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | V44 F58 F93 | V44-T60 HydrophobicContact CB-CG2 4.09Å; V44-T60 PolarHBondContact N-OG1 3.21Å; V44-T60 PolarHBondContact O-N 2.84Å; F58-T60 HydrophobicContact CD2-CG2 4.29Å; F58-T60 HydrophobicContact CE2-CG2 4.16Å; T60-F93 HydrophobicContact CG2-CD1 4.42Å; T60-F93 HydrophobicContact CG2-CE1 3.87Å; T60-F93 HydrophobicContact CG2-CZ 4.18Å |
| 61 | L | 96.7 | Very high | 94 | Very high | 150 Ų | 150 | 63.1 Ų | 63.1 | 79% | 0.785 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 153.8 | 168.1 | -62.7 | 175.9 | 0 | 0 | 0 | 110.3 | ||
| 62 | P | 96.8 | Very high | 94.6 | Very high | 98 Ų | 98 | 53 Ų | 53 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 155.5 | 171.9 | -24.3 | 34.4 | 0 | 0 | 0 | 112.8 | D41 V43 | D41-P62 CarbonylContact O-C 3.57Å; D41-P62 VanDerWaalsContact O-CA 3.25Å; D41-P62 WeakPolarHBondContact O-CA 3.25Å; D41-P62 WeakPolarHBondContact O-CB 3.48Å; V43-P62 HydrophobicContact CG2-CB 4.1Å; V43-P62 HydrophobicContact CG2-CG 3.91Å |
| 63 | G | 95.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 50.8 Ų | 50.8 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | trans | -167.6 | -157.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | D41 | D41-G63 CarbonylContact C-O 3.6Å; D41-G63 PolarHBondContact O-N 3.37Å; D41-G63 VanDerWaalsContact O-O 3.06Å | ||
| 64 | P | 95.9 | Very high | 95.3 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 43% | 0.429 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -64.6 | 148.3 | 174.2 | -16.9 | 30.1 | 0 | 0 | 0 | 111.4 | G42 I66 A86 A87 | G42-P64 WeakPolarHBondContact CA-O 3.17Å; P64-I66 PolarHBondContact O-N 3.44Å; P64-A86 HydrophobicContact CB-CB 4.27Å; P64-A87 HydrophobicContact CB-CB 4.28Å |
| 65 | K | 96.4 | Very high | 94.9 | Very high | 102 Ų | 102 | 50.3 Ų | 50.3 | 44% | 0.443 | 30% | 0.301 | S | S | . | . | trans | -43.3 | 127.3 | 174.9 | 164.2 | 172.3 | 172.4 | 163 | 0 | 112.1 | S17 H40 A67 | S17-K65 WeakPolarHBondContact OG-CE 3.23Å; S17-K65 PolarHBondContact OG-NZ 2.87Å; H40-K65 HydrophobicContact CB-CD 4.44Å; H40-K65 HydrophobicContact CB-CG 4.31Å; H40-K65 VanDerWaalsContact CD2-CE 3.41Å; H40-K65 WeakPolarHBondContact CD2-CE 3.27Å; H40-K65 PolarHBondContact CE1-NZ 3.42Å; H40-K65 VanDerWaalsContact CE1-NZ 3.27Å; H40-K65 WeakPolarHBondContact NE2-CE 3.22Å; H40-K65 PolarHBondContact NE2-NZ 2.59Å; H40-K65 WeakPolarHBondContact O-CA 3.24Å; K65-A67 PolarHBondContact O-N 2.98Å | ||
| 66 | I | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 116.8 | 172.3 | -53.1 | -47.6 | 0 | 0 | 0 | 108.9 | T20 D39 V44 P64 I84 A86 | T20-I66 HydrophobicContact CG2-CG2 4.29Å; D39-I66 WeakPolarHBondContact O-CB 3.49Å; D39-I66 WeakPolarHBondContact O-CG1 3.36Å; D39-I66 PolarHBondContact O-N 3.39Å; V44-I66 HydrophobicContact CG2-CD1 4.31Å; V44-I66 HydrophobicContact CG2-CG1 4.26Å; P64-I66 PolarHBondContact O-N 3.44Å; I66-I84 HydrophobicContact CD1-CD1 3.78Å; I66-I84 HydrophobicContact CD1-CG1 4.44Å; I66-I84 HydrophobicContact CG2-CB 4.23Å; I66-I84 HydrophobicContact CG2-CG2 4.46Å; I66-A86 HydrophobicContact CD1-CB 3.83Å |
| 67 | A | 97.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -34.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K65 A85 I111 | K65-A67 PolarHBondContact O-N 2.98Å; A67-A85 PolarHBondContact N-O 3.01Å; A67-I111 VanDerWaalsContact CB-O 3.26Å; A67-I111 WeakPolarHBondContact CB-O 3.12Å |
| 68 | R | 98.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 147 | 179.7 | -160.3 | 69 | 67.6 | 172 | 15.8 | 110.9 | Q18 I84 A85 K112 M114 | Q18-R68 PolarHBondContact O-NH1 3.22Å; Q18-R68 VanDerWaalsContact OE1-NH1 3.13Å; R68-I84 WeakPolarHBondContact O-CA 3.38Å; R68-A85 HydrophobicContact CB-CB 4.29Å; R68-A85 PolarHBondContact O-N 3.21Å; R68-K112 PolarHBondContact NE-O 3.45Å; R68-K112 PolarHBondContact NH2-O 2.84Å; R68-M114 HydrophobicContact CB-CB 4.4Å; R68-M114 HydrophobicContact CG-CB 4.18Å |
| 69 | L | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 125.9 | 172.9 | -171.1 | 152.3 | 0 | 0 | 0 | 109.6 | K19 K22 V36 V44 I82 F83 I84 | K19-L69 PolarHBondContact O-N 2.63Å; K22-L69 HydrophobicContact CB-CD2 3.74Å; K22-L69 VanDerWaalsContact CE-O 3.25Å; K22-L69 WeakPolarHBondContact CE-O 3.4Å; K22-L69 HydrophobicContact CG-CD2 3.4Å; V36-L69 HydrophobicContact CG1-CD1 3.85Å; V36-L69 HydrophobicContact CG1-CD2 4.5Å; V44-L69 HydrophobicContact CG1-CD1 4.4Å; L69-I82 HydrophobicContact CD1-CG2 4.18Å; L69-I82 HydrophobicContact CD2-CG2 4.29Å; L69-I82 HydrophobicContact CG-CG2 4.21Å; L69-F83 WeakPolarHBondContact CA-O 3.07Å; L69-I84 HydrophobicContact CB-CG2 4.45Å; L69-I84 HydrophobicContact CD1-CG2 3.87Å; L69-I84 HydrophobicContact CG-CG2 3.99Å |
| 70 | E | 97.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 56.4 Ų | 56.4 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.2 | 176.3 | -74.8 | -62.2 | 158.6 | 0 | 0 | 111.4 | K22 F83 M114 I116 | K22-E70 VanDerWaalsContact CE-CD 3.5Å; K22-E70 WeakPolarHBondContact CE-OE1 3.37Å; K22-E70 WeakPolarHBondContact CE-OE2 3.45Å; K22-E70 IonicContact NZ-OE1 2.64Å; K22-E70 PolarHBondContact NZ-OE1 2.88Å; K22-E70 IonicContact NZ-OE2 3.43Å; K22-E70 PolarHBondContact NZ-OE2 3.25Å; E70-F83 PolarHBondContact N-O 2.92Å; E70-F83 PolarHBondContact O-N 3.08Å; E70-M114 HydrophobicContact CB-CE 4.05Å; E70-M114 HydrophobicContact CG-CE 4.46Å; E70-I116 HydrophobicContact CB-CD1 4.32Å |
| 71 | L | 96.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 140.3 | 170.6 | -59.1 | -176.5 | 0 | 0 | 0 | 109.1 | K22 L23 L24 Q79 K81 I82 | K22-L71 HydrophobicContact CB-CD1 3.95Å; K22-L71 HydrophobicContact CB-CD2 4.13Å; K22-L71 HydrophobicContact CB-CG 3.78Å; K22-L71 HydrophobicContact CG-CG 4.08Å; L23-L71 WeakPolarHBondContact O-CD1 3.23Å; L24-L71 HydrophobicContact CD2-CD1 4.34Å; L24-L71 HydrophobicContact CD2-CD2 3.92Å; L71-Q79 HydrophobicContact CB-CB 4.14Å; L71-K81 CarbonylContact C-O 3.58Å; L71-K81 WeakPolarHBondContact CA-O 3.34Å; L71-I82 HydrophobicContact CD2-CB 4.46Å; L71-I82 HydrophobicContact CD2-CG1 3.88Å |
| 72 | G | 92.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 173.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q79 E80 K81 | G72-Q79 CarbonylContact O-C 3.6Å; G72-Q79 WeakPolarHBondContact O-CA 3.44Å; G72-E80 PolarHBondContact O-N 3.26Å; G72-K81 PolarHBondContact N-O 3.44Å; G72-K81 VanDerWaalsContact O-CB 3.29Å; G72-K81 WeakPolarHBondContact O-CB 3.22Å; G72-K81 PolarHBondContact O-N 3.47Å |
| 73 | G | 89.9 | Confident | 93.4 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | trans | 176.4 | 175.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G118 | G73-G118 WeakPolarHBondContact O-CA 3.31Š| ||
| 74 | V | 86.4 | Confident | 93.5 | Very high | 108 Ų | 108 | 46.8 Ų | 46.8 | 66% | 0.655 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -63.6 | 142.3 | 170.4 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | N76 T77 | V74-N76 PolarHBondContact O-N 3.11Å; V74-T77 HydrophobicContact CB-CG2 4.04Å; V74-T77 HydrophobicContact CG1-CG2 4.36Å; V74-T77 PolarHBondContact N-OG1 2.67Å; V74-T77 WeakPolarHBondContact O-CB 3.36Å; V74-T77 PolarHBondContact O-N 2.94Å; V74-T77 PolarHBondContact O-OG1 3.43Å |
| 75 | L | 82.9 | Confident | 93.6 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 36% | 0.356 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 141.7 | 176.7 | -64.3 | 175.1 | 0 | 0 | 0 | 110.9 | T77 E156 | L75-T77 PolarHBondContact O-N 3.1Å; L75-T77 VanDerWaalsContact O-N 3.13Å; L75-E156 VanDerWaalsContact CA-OE1 3.29Å; L75-E156 WeakPolarHBondContact CA-OE1 3.26Å; L75-E156 HydrophobicContact CB-CG 4.24Å; L75-E156 VanDerWaalsContact CB-OE1 3.32Å; L75-E156 WeakPolarHBondContact CB-OE1 3.32Å; L75-E156 HydrophobicContact CD2-CG 3.97Å; L75-E156 VanDerWaalsContact CD2-OE1 3.28Å; L75-E156 WeakPolarHBondContact CD2-OE1 3.39Å; L75-E156 HydrophobicContact CG-CG 4.45Å |
| 76 | N | 81.9 | Confident | 93.5 | Very high | 137 Ų | 137 | 38.9 Ų | 38.9 | 73% | 0.733 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 14.8 | -175.6 | -54.4 | -64.6 | 0 | 0 | 0 | 116.1 | V74 E156 | V74-N76 PolarHBondContact O-N 3.11Å; N76-E156 PolarHBondContact N-OE1 2.73Å |
| 77 | T | 87.1 | Confident | 93.3 | Very high | 66 Ų | 66 | 41 Ų | 41 | 41% | 0.405 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -112.7 | 155.1 | 171.6 | 71.2 | 0 | 0 | 0 | 0 | 111.1 | V74 L75 Q79 | V74-T77 HydrophobicContact CB-CG2 4.04Å; V74-T77 HydrophobicContact CG1-CG2 4.36Å; V74-T77 PolarHBondContact N-OG1 2.67Å; V74-T77 WeakPolarHBondContact O-CB 3.36Å; V74-T77 PolarHBondContact O-N 2.94Å; V74-T77 PolarHBondContact O-OG1 3.43Å; L75-T77 PolarHBondContact O-N 3.1Å; L75-T77 VanDerWaalsContact O-N 3.13Å; T77-Q79 PolarHBondContact O-N 2.98Å |
| 78 | P | 86.3 | Confident | 93.2 | Very high | 92 Ų | 92 | 41.6 Ų | 41.6 | 60% | 0.597 | 24% | 0.235 | S | C | * | . | trans | -54.6 | 125 | 173.7 | -25.7 | 34.8 | 0 | 0 | 0 | 111.4 | P25 E80 | P25-P78 HydrophobicContact CB-CB 4.46Å; P25-P78 HydrophobicContact CG-CB 4.46Å; P78-E80 HydrophobicContact CB-CG 4.28Å; P78-E80 PolarHBondContact O-N 3.4Å | ||
| 79 | Q | 91.4 | Very high | 93.1 | Very high | 95 Ų | 95 | 43.2 Ų | 43.2 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | trans | -75.6 | 91.2 | -178.5 | -64.9 | 177.2 | -6.6 | 0 | 0 | 110.1 | P25 L71 G72 T77 | P25-Q79 VanDerWaalsContact CD-O 3.29Å; P25-Q79 WeakPolarHBondContact CD-O 3.24Å; P25-Q79 WeakPolarHBondContact CG-O 3.18Å; L71-Q79 HydrophobicContact CB-CB 4.14Å; G72-Q79 CarbonylContact O-C 3.6Å; G72-Q79 WeakPolarHBondContact O-CA 3.44Å; T77-Q79 PolarHBondContact O-N 2.98Å | ||
| 80 | E | 93.4 | Very high | 93 | Very high | 66 Ų | 66 | 43.2 Ų | 43.2 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | trans | -110 | -0.9 | -177 | -61.2 | -171 | 144.3 | 0 | 0 | 113.8 | P25 G72 P78 K95 | P25-E80 HydrophobicContact CG-CG 4.44Å; G72-E80 PolarHBondContact O-N 3.26Å; P78-E80 HydrophobicContact CB-CG 4.28Å; P78-E80 PolarHBondContact O-N 3.4Å; E80-K95 HydrophobicContact CB-CD 4.45Å; E80-K95 IonicContact OE1-NZ 3.69Å; E80-K95 PolarHBondContact OE1-NZ 3.12Å; E80-K95 WeakPolarHBondContact OE2-CD 3.29Å; E80-K95 WeakPolarHBondContact OE2-CE 3.29Å; E80-K95 IonicContact OE2-NZ 3.44Å; E80-K95 PolarHBondContact OE2-NZ 3.24Å | ||
| 81 | K | 96.8 | Very high | 93 | Very high | 82 Ų | 82 | 43.6 Ų | 43.6 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129 | 177.8 | -56 | -59.3 | -172.8 | 168.9 | 0 | 108.7 | L71 G72 F83 F100 | L71-K81 CarbonylContact C-O 3.58Å; L71-K81 WeakPolarHBondContact CA-O 3.34Å; G72-K81 PolarHBondContact N-O 3.44Å; G72-K81 VanDerWaalsContact O-CB 3.29Å; G72-K81 WeakPolarHBondContact O-CB 3.22Å; G72-K81 PolarHBondContact O-N 3.47Å; K81-F83 HydrophobicContact CB-CD2 4.2Å; K81-F83 HydrophobicContact CB-CE2 3.59Å; K81-F83 HydrophobicContact CB-CZ 4.39Å; K81-F100 HydrophobicContact CB-CE1 4.22Å; K81-F100 HydrophobicContact CB-CZ 4Å; K81-F100 HydrophobicContact CD-CE1 3.75Å; K81-F100 HydrophobicContact CD-CZ 3.85Å; K81-F100 HydrophobicContact CG-CE1 4.32Å; K81-F100 HydrophobicContact CG-CZ 4.02Å |
| 82 | I | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 119.7 | -177.9 | -58.5 | 156.9 | 0 | 0 | 0 | 106.9 | L24 V36 F58 L69 L71 I84 A92 F93 | L24-I82 HydrophobicContact CD2-CD1 4.31Å; L24-I82 HydrophobicContact CD2-CG1 4.05Å; V36-I82 HydrophobicContact CB-CD1 4.45Å; V36-I82 HydrophobicContact CG1-CD1 3.92Å; V36-I82 HydrophobicContact CG1-CG1 4.28Å; V36-I82 HydrophobicContact CG1-CG2 3.84Å; V36-I82 HydrophobicContact CG2-CD1 3.73Å; V36-I82 HydrophobicContact CG2-CG1 4.23Å; F58-I82 HydrophobicContact CE1-CD1 4.07Å; F58-I82 HydrophobicContact CZ-CD1 3.88Å; L69-I82 HydrophobicContact CD1-CG2 4.18Å; L69-I82 HydrophobicContact CD2-CG2 4.29Å; L69-I82 HydrophobicContact CG-CG2 4.21Å; L71-I82 HydrophobicContact CD2-CB 4.46Å; L71-I82 HydrophobicContact CD2-CG1 3.88Å; I82-I84 HydrophobicContact CG2-CG2 4.34Å; I82-A92 CarbonylContact O-C 3.4Å; I82-A92 VanDerWaalsContact O-CA 3.23Å; I82-A92 WeakPolarHBondContact O-CA 3.36Å; I82-F93 HydrophobicContact CB-CB 4.37Å; I82-F93 PolarHBondContact N-O 3.31Å; I82-F93 PolarHBondContact O-N 3.44Å |
| 83 | F | 98.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.6 | 173.9 | -68 | -103.4 | 0 | 0 | 0 | 109.4 | L69 E70 K81 I90 R91 A92 F100 L101 M114 I116 | L69-F83 WeakPolarHBondContact CA-O 3.07Å; E70-F83 PolarHBondContact N-O 2.92Å; E70-F83 PolarHBondContact O-N 3.08Å; K81-F83 HydrophobicContact CB-CD2 4.2Å; K81-F83 HydrophobicContact CB-CE2 3.59Å; K81-F83 HydrophobicContact CB-CZ 4.39Å; F83-I90 HydrophobicContact CD1-CG2 4.12Å; F83-R91 WeakPolarHBondContact CA-O 3.12Å; F83-A92 HydrophobicContact CD1-CB 3.44Å; F83-A92 VanDerWaalsContact CD1-CB 3.44Å; F83-A92 HydrophobicContact CD2-CB 4.46Å; F83-A92 HydrophobicContact CE1-CB 3.51Å; F83-A92 HydrophobicContact CG-CB 3.95Å; F83-A92 HydrophobicContact CZ-CB 4.08Å; F83-F100 HydrophobicContact CZ-CZ 4.19Å; F83-L101 HydrophobicContact CD1-CD2 4.4Å; F83-L101 HydrophobicContact CE1-CD2 3.82Å; F83-M114 HydrophobicContact CB-CE 3.79Å; F83-M114 HydrophobicContact CB-SD 4.49Å; F83-I116 HydrophobicContact CB-CD1 3.25Å; F83-I116 HydrophobicContact CD1-CD1 3.72Å; F83-I116 HydrophobicContact CD2-CD1 3.36Å; F83-I116 HydrophobicContact CE1-CD1 4.34Å; F83-I116 HydrophobicContact CE2-CD1 4.03Å; F83-I116 HydrophobicContact CG-CD1 3.17Å; F83-I116 HydrophobicContact CZ-CD1 4.48Å |
| 84 | I | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142 | 175.8 | 68.8 | -177.2 | 0 | 0 | 0 | 109.6 | V44 I66 R68 L69 I82 I90 R91 F93 | V44-I84 HydrophobicContact CG2-CD1 3.54Å; V44-I84 HydrophobicContact CG2-CG2 3.9Å; I66-I84 HydrophobicContact CD1-CD1 3.78Å; I66-I84 HydrophobicContact CD1-CG1 4.44Å; I66-I84 HydrophobicContact CG2-CB 4.23Å; I66-I84 HydrophobicContact CG2-CG2 4.46Å; R68-I84 WeakPolarHBondContact O-CA 3.38Å; L69-I84 HydrophobicContact CB-CG2 4.45Å; L69-I84 HydrophobicContact CD1-CG2 3.87Å; L69-I84 HydrophobicContact CG-CG2 3.99Å; I82-I84 HydrophobicContact CG2-CG2 4.34Å; I84-I90 WeakPolarHBondContact O-CA 3.44Å; I84-R91 HydrophobicContact CD1-CB 4.09Å; I84-R91 HydrophobicContact CG1-CB 3.83Å; I84-R91 PolarHBondContact N-O 3.26Å; I84-R91 PolarHBondContact O-N 3.03Å; I84-F93 HydrophobicContact CD1-CD2 4.45Å; I84-F93 HydrophobicContact CD1-CE2 3.57Å; I84-F93 HydrophobicContact CD1-CZ 4.3Å; I84-F93 HydrophobicContact CG1-CE2 4.08Å |
| 85 | A | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 124.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A67 R68 I111 M114 | A67-A85 PolarHBondContact N-O 3.01Å; R68-A85 HydrophobicContact CB-CB 4.29Å; R68-A85 PolarHBondContact O-N 3.21Å; A85-I111 HydrophobicContact CB-CB 4Å; A85-I111 HydrophobicContact CB-CD1 4.12Å; A85-I111 HydrophobicContact CB-CG2 3.68Å; A85-M114 HydrophobicContact CB-SD 4.3Å |
| 86 | A | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 123.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P64 I66 S88 E89 | P64-A86 HydrophobicContact CB-CB 4.27Å; I66-A86 HydrophobicContact CD1-CB 3.83Å; A86-S88 PolarHBondContact O-N 3.42Å; A86-E89 PolarHBondContact N-O 2.85Å; A86-E89 PolarHBondContact O-N 3.44Å |
| 87 | A | 94.1 | Very high | 95 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 37% | 0.372 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -125.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P64 S110 I111 | P64-A87 HydrophobicContact CB-CB 4.28Å; A87-S110 CarbonylContact O-C 3.57Å; A87-S110 WeakPolarHBondContact O-CA 3.43Å; A87-I111 PolarHBondContact O-N 2.87Å |
| 88 | S | 94.3 | Very high | 95.5 | Very high | 29 Ų | 29 | 48 Ų | 48 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 6.8 | 177 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | A86 E104 T105 | A86-S88 PolarHBondContact O-N 3.42Å; S88-E104 WeakPolarHBondContact CB-OE1 3.26Å; S88-E104 PolarHBondContact OG-OE1 3Å; S88-T105 WeakPolarHBondContact O-CB 3.32Å; S88-T105 WeakPolarHBondContact O-CG2 3.45Å; S88-T105 PolarHBondContact O-N 3.14Å; S88-T105 VanDerWaalsContact O-N 3.12Å; S88-T105 PolarHBondContact O-OG1 3.36Å |
| 89 | E | 95.8 | Very high | 96 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.5 | -174 | -162.7 | -160.6 | 163.8 | 0 | 0 | 111.8 | A86 R91 S102 F103 | A86-E89 PolarHBondContact N-O 2.85Å; A86-E89 PolarHBondContact O-N 3.44Å; E89-R91 HydrophobicContact CG-CG 4.31Å; E89-R91 WeakPolarHBondContact OE1-CG 3.45Å; E89-S102 WeakPolarHBondContact OE1-CB 3.42Å; E89-S102 PolarHBondContact OE1-OG 3.48Å; E89-F103 WeakPolarHBondContact CA-O 3.29Å |
| 90 | I | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.8 | 168.1 | -65.9 | 164.2 | 0 | 0 | 0 | 110.1 | F83 I84 S102 F103 T105 I111 M114 L121 L123 | F83-I90 HydrophobicContact CD1-CG2 4.12Å; I84-I90 WeakPolarHBondContact O-CA 3.44Å; I90-S102 CarbonylContact O-C 3.52Å; I90-S102 WeakPolarHBondContact O-CA 3.27Å; I90-F103 HydrophobicContact CB-CB 4.5Å; I90-F103 HydrophobicContact CD1-CD1 4.41Å; I90-F103 PolarHBondContact N-O 2.96Å; I90-F103 PolarHBondContact O-N 3.21Å; I90-T105 HydrophobicContact CD1-CG2 4.21Å; I90-I111 HydrophobicContact CD1-CD1 4.14Å; I90-I111 HydrophobicContact CG1-CD1 3.82Å; I90-M114 HydrophobicContact CD1-SD 4.1Å; I90-M114 HydrophobicContact CG1-SD 4.22Å; I90-M114 HydrophobicContact CG2-SD 4.34Å; I90-L121 HydrophobicContact CD1-CD1 4.08Å; I90-L121 HydrophobicContact CD1-CD2 3.37Å; I90-L121 HydrophobicContact CD1-CG 4.09Å; I90-L123 HydrophobicContact CD1-CD1 3.36Å; I90-L123 HydrophobicContact CD1-CD2 3.43Å; I90-L123 VanDerWaalsContact CD1-CD2 3.43Å; I90-L123 HydrophobicContact CD1-CG 3.98Å |
| 91 | R | 97.6 | Very high | 96.4 | Very high | 29 Ų | 29 | 47 Ų | 47 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.9 | 175.9 | -64 | 177.5 | -71.4 | 162.7 | -0.2 | 109.1 | F83 I84 E89 F93 L101 | F83-R91 WeakPolarHBondContact CA-O 3.12Å; I84-R91 HydrophobicContact CD1-CB 4.09Å; I84-R91 HydrophobicContact CG1-CB 3.83Å; I84-R91 PolarHBondContact N-O 3.26Å; I84-R91 PolarHBondContact O-N 3.03Å; E89-R91 HydrophobicContact CG-CG 4.31Å; E89-R91 WeakPolarHBondContact OE1-CG 3.45Å; R91-F93 HydrophobicContact CB-CE2 3.73Å; R91-F93 HydrophobicContact CB-CZ 4.15Å; R91-L101 WeakPolarHBondContact CA-O 3.3Å |
| 92 | A | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | I82 F83 Q99 F100 L101 | I82-A92 CarbonylContact O-C 3.4Å; I82-A92 VanDerWaalsContact O-CA 3.23Å; I82-A92 WeakPolarHBondContact O-CA 3.36Å; F83-A92 HydrophobicContact CD1-CB 3.44Å; F83-A92 VanDerWaalsContact CD1-CB 3.44Å; F83-A92 HydrophobicContact CD2-CB 4.46Å; F83-A92 HydrophobicContact CE1-CB 3.51Å; F83-A92 HydrophobicContact CG-CB 3.95Å; F83-A92 HydrophobicContact CZ-CB 4.08Å; A92-Q99 CarbonylContact O-C 3.59Å; A92-Q99 WeakPolarHBondContact O-CA 3.35Å; A92-F100 HydrophobicContact CB-CD1 4.26Å; A92-F100 HydrophobicContact CB-CE1 3.57Å; A92-F100 HydrophobicContact CB-CE2 4.02Å; A92-F100 HydrophobicContact CB-CZ 3.43Å; A92-F100 VanDerWaalsContact CB-CZ 3.43Å; A92-F100 WeakPolarHBondContact O-CD1 3.37Å; A92-F100 PolarHBondContact O-N 2.91Å; A92-L101 HydrophobicContact CB-CB 3.61Å; A92-L101 HydrophobicContact CB-CD2 4.23Å; A92-L101 PolarHBondContact N-O 2.88Å; A92-L101 PolarHBondContact O-N 3.07Å |
| 93 | F | 97.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.1 | -175.4 | -58 | -94.7 | 0 | 0 | 0 | 110.4 | T60 I82 I84 R91 K98 Q99 | T60-F93 HydrophobicContact CG2-CD1 4.42Å; T60-F93 HydrophobicContact CG2-CE1 3.87Å; T60-F93 HydrophobicContact CG2-CZ 4.18Å; I82-F93 HydrophobicContact CB-CB 4.37Å; I82-F93 PolarHBondContact N-O 3.31Å; I82-F93 PolarHBondContact O-N 3.44Å; I84-F93 HydrophobicContact CD1-CD2 4.45Å; I84-F93 HydrophobicContact CD1-CE2 3.57Å; I84-F93 HydrophobicContact CD1-CZ 4.3Å; I84-F93 HydrophobicContact CG1-CE2 4.08Å; R91-F93 HydrophobicContact CB-CE2 3.73Å; R91-F93 HydrophobicContact CB-CZ 4.15Å; F93-K98 WeakPolarHBondContact CA-O 3.05Å; F93-Q99 HydrophobicContact CD1-CB 3.86Å; F93-Q99 HydrophobicContact CD1-CG 4.37Å; F93-Q99 HydrophobicContact CE1-CB 3.67Å; F93-Q99 HydrophobicContact CE1-CG 3.98Å; F93-Q99 HydrophobicContact CZ-CB 4.4Å; F93-Q99 HydrophobicContact CZ-CG 4.21Å |
| 94 | T | 96.4 | Very high | 96.1 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | trans | -70.6 | 162.3 | 165.1 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | R96 G97 K98 F100 | T94-R96 PolarHBondContact O-N 3.31Å; T94-G97 PolarHBondContact O-N 3.17Å; T94-K98 HydrophobicContact CG2-CB 4.45Å; T94-K98 PolarHBondContact N-O 3.48Å; T94-K98 PolarHBondContact OG1-N 2.97Å; T94-K98 PolarHBondContact OG1-O 3.42Å; T94-F100 HydrophobicContact CG2-CD1 3.92Å | ||
| 95 | K | 93.8 | Very high | 95.8 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -8.4 | 171.3 | 70.9 | -176.4 | 178.5 | -163.8 | 0 | 116.2 | L24 E80 | L24-K95 HydrophobicContact CD1-CB 4.06Å; E80-K95 HydrophobicContact CB-CD 4.45Å; E80-K95 IonicContact OE1-NZ 3.69Å; E80-K95 PolarHBondContact OE1-NZ 3.12Å; E80-K95 WeakPolarHBondContact OE2-CD 3.29Å; E80-K95 WeakPolarHBondContact OE2-CE 3.29Å; E80-K95 IonicContact OE2-NZ 3.44Å; E80-K95 PolarHBondContact OE2-NZ 3.24Å |
| 96 | R | 93.4 | Very high | 95.3 | Very high | 209 Ų | 209 | 57 Ų | 57 | 79% | 0.789 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 2.2 | 175.6 | -62 | -172.7 | -177.1 | -176.9 | 1.5 | 113.4 | T94 | T94-R96 PolarHBondContact O-N 3.31Š|
| 97 | G | 94.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 86.4 | 2.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | F58 T94 Q99 | F58-G97 VanDerWaalsContact CD1-CA 3.46Å; F58-G97 VanDerWaalsContact CG-CA 3.43Å; T94-G97 PolarHBondContact O-N 3.17Å; G97-Q99 PolarHBondContact O-N 3.29Å |
| 98 | K | 96.8 | Very high | 94.5 | Very high | 155 Ų | 155 | 61.6 Ų | 61.6 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | trans | -72.5 | 117.9 | 171.4 | -175.3 | 179.8 | 179.9 | -178.5 | 0 | 109.5 | F93 T94 | F93-K98 WeakPolarHBondContact CA-O 3.05Å; T94-K98 HydrophobicContact CG2-CB 4.45Å; T94-K98 PolarHBondContact N-O 3.48Å; T94-K98 PolarHBondContact OG1-N 2.97Å; T94-K98 PolarHBondContact OG1-O 3.42Å | ||
| 99 | Q | 97.3 | Very high | 94.3 | Very high | 89 Ų | 89 | 63.7 Ų | 63.7 | 42% | 0.416 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 133.2 | 170.5 | -168.7 | 175.1 | -41.3 | 0 | 0 | 109.9 | A92 F93 G97 | A92-Q99 CarbonylContact O-C 3.59Å; A92-Q99 WeakPolarHBondContact O-CA 3.35Å; F93-Q99 HydrophobicContact CD1-CB 3.86Å; F93-Q99 HydrophobicContact CD1-CG 4.37Å; F93-Q99 HydrophobicContact CE1-CB 3.67Å; F93-Q99 HydrophobicContact CE1-CG 3.98Å; F93-Q99 HydrophobicContact CZ-CB 4.4Å; F93-Q99 HydrophobicContact CZ-CG 4.21Å; G97-Q99 PolarHBondContact O-N 3.29Å |
| 100 | F | 96.3 | Very high | 94.2 | Very high | 96 Ų | 96 | 64 Ų | 64 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | -12.1 | 179.1 | 72.4 | -88.3 | 0 | 0 | 0 | 113.6 | K81 F83 A92 T94 | K81-F100 HydrophobicContact CB-CE1 4.22Å; K81-F100 HydrophobicContact CB-CZ 4Å; K81-F100 HydrophobicContact CD-CE1 3.75Å; K81-F100 HydrophobicContact CD-CZ 3.85Å; K81-F100 HydrophobicContact CG-CE1 4.32Å; K81-F100 HydrophobicContact CG-CZ 4.02Å; F83-F100 HydrophobicContact CZ-CZ 4.19Å; A92-F100 HydrophobicContact CB-CD1 4.26Å; A92-F100 HydrophobicContact CB-CE1 3.57Å; A92-F100 HydrophobicContact CB-CE2 4.02Å; A92-F100 HydrophobicContact CB-CZ 3.43Å; A92-F100 VanDerWaalsContact CB-CZ 3.43Å; A92-F100 WeakPolarHBondContact O-CD1 3.37Å; A92-F100 PolarHBondContact O-N 2.91Å; T94-F100 HydrophobicContact CG2-CD1 3.92Å |
| 101 | L | 96.3 | Very high | 94.1 | Very high | 48 Ų | 48 | 64 Ų | 64 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.2 | 173.4 | -173.3 | 67.9 | 0 | 0 | 0 | 109.5 | F83 R91 A92 F103 | F83-L101 HydrophobicContact CD1-CD2 4.4Å; F83-L101 HydrophobicContact CE1-CD2 3.82Å; R91-L101 WeakPolarHBondContact CA-O 3.3Å; A92-L101 HydrophobicContact CB-CB 3.61Å; A92-L101 HydrophobicContact CB-CD2 4.23Å; A92-L101 PolarHBondContact N-O 2.88Å; A92-L101 PolarHBondContact O-N 3.07Å; L101-F103 HydrophobicContact CG-CB 4.4Å |
| 102 | S | 96.4 | Very high | 94.1 | Very high | 73 Ų | 73 | 67 Ų | 67 | 51% | 0.51 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 116.4 | 164.3 | 161.5 | 0 | 0 | 0 | 0 | 104.9 | E89 I90 | E89-S102 WeakPolarHBondContact OE1-CB 3.42Å; E89-S102 PolarHBondContact OE1-OG 3.48Å; I90-S102 CarbonylContact O-C 3.52Å; I90-S102 WeakPolarHBondContact O-CA 3.27Å |
| 103 | F | 96.5 | Very high | 94 | Very high | 25 Ų | 25 | 67 Ų | 67 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 107.1 | -174.5 | 174.4 | -130.1 | 0 | 0 | 0 | 108.7 | E89 I90 L101 T105 L121 Y132 C135 | E89-F103 WeakPolarHBondContact CA-O 3.29Å; I90-F103 HydrophobicContact CB-CB 4.5Å; I90-F103 HydrophobicContact CD1-CD1 4.41Å; I90-F103 PolarHBondContact N-O 2.96Å; I90-F103 PolarHBondContact O-N 3.21Å; L101-F103 HydrophobicContact CG-CB 4.4Å; F103-T105 HydrophobicContact CD1-CG2 4.04Å; F103-T105 HydrophobicContact CE1-CG2 3.79Å; F103-T105 HydrophobicContact CZ-CG2 4.42Å; F103-L121 HydrophobicContact CD1-CD2 4.07Å; F103-L121 HydrophobicContact CE1-CD2 4.19Å; F103-Y132 AromaticContact CE1-CD1 3.84Å; F103-Y132 HydrophobicContact CE1-CD1 3.84Å; F103-Y132 HydrophobicContact CE1-CD2 4.15Å; F103-Y132 HydrophobicContact CE1-CE1 4.01Å; F103-Y132 HydrophobicContact CE1-CE2 4.3Å; F103-Y132 AromaticContact CE1-CG 3.91Å; F103-Y132 HydrophobicContact CE1-CG 3.91Å; F103-Y132 AromaticContact CZ-CD1 3.53Å; F103-Y132 HydrophobicContact CZ-CD1 3.53Å; F103-Y132 AromaticContact CZ-CE1 3.53Å; F103-Y132 HydrophobicContact CZ-CE1 3.53Å; F103-Y132 HydrophobicContact CZ-CG 4.09Å; F103-C135 HydrophobicContact CD1-CB 4.45Å; F103-C135 HydrophobicContact CD2-CB 3.72Å; F103-C135 HydrophobicContact CE1-CB 4.47Å; F103-C135 HydrophobicContact CE2-CB 3.76Å; F103-C135 HydrophobicContact CG-CB 4.1Å; F103-C135 HydrophobicContact CZ-CB 4.15Å |
| 104 | E | 94.7 | Very high | 94 | Very high | 110 Ų | 110 | 66.7 Ų | 66.7 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119.5 | 170.9 | -165.6 | 63.8 | -136 | 0 | 0 | 108.6 | S88 | S88-E104 WeakPolarHBondContact CB-OE1 3.26Å; S88-E104 PolarHBondContact OG-OE1 3Å |
| 105 | T | 91.9 | Very high | 94.1 | Very high | 11 Ų | 11 | 66.8 Ų | 66.8 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | trans | -80.9 | 167.4 | -179.6 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | S88 I90 F103 L107 I111 L123 | S88-T105 WeakPolarHBondContact O-CB 3.32Å; S88-T105 WeakPolarHBondContact O-CG2 3.45Å; S88-T105 PolarHBondContact O-N 3.14Å; S88-T105 VanDerWaalsContact O-N 3.12Å; S88-T105 PolarHBondContact O-OG1 3.36Å; I90-T105 HydrophobicContact CD1-CG2 4.21Å; F103-T105 HydrophobicContact CD1-CG2 4.04Å; F103-T105 HydrophobicContact CE1-CG2 3.79Å; F103-T105 HydrophobicContact CZ-CG2 4.42Å; T105-L107 PolarHBondContact O-N 2.7Å; T105-L107 WeakPolarHBondContact OG1-CB 3.29Å; T105-L107 PolarHBondContact OG1-N 2.89Å; T105-I111 HydrophobicContact CG2-CD1 4.18Å; T105-L123 HydrophobicContact CG2-CD1 3.62Å | ||
| 106 | N | 86.8 | Confident | 94.2 | Very high | 97 Ų | 97 | 63.2 Ų | 63.2 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -81.6 | 7 | 172.4 | 65.8 | 6.6 | 0 | 0 | 0 | 113.5 | Y132 D137 | N106-Y132 VanDerWaalsContact CG-OH 3.32Å; N106-Y132 PolarHBondContact N-OH 3.33Å; N106-Y132 PolarHBondContact OD1-OH 3.21Å; N106-D137 PolarHBondContact ND2-OD2 2.82Å |
| 107 | L | 87.8 | Confident | 94.2 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | trans | -72.4 | 132.2 | -177.3 | -66.4 | 171.9 | 0 | 0 | 0 | 110.8 | T105 E109 I111 A125 I128 N130 | T105-L107 PolarHBondContact O-N 2.7Å; T105-L107 WeakPolarHBondContact OG1-CB 3.29Å; T105-L107 PolarHBondContact OG1-N 2.89Å; L107-E109 VanDerWaalsContact C-N 3.29Å; L107-I111 HydrophobicContact CD1-CG1 3.73Å; L107-A125 HydrophobicContact CD1-CB 4.47Å; L107-A125 HydrophobicContact CD2-CB 4.28Å; L107-I128 HydrophobicContact CD2-CB 4.12Å; L107-I128 HydrophobicContact CD2-CG2 3.56Å; L107-N130 WeakPolarHBondContact CD2-OD1 3.36Å | ||
| 108 | T | 85.6 | Confident | 94.1 | Very high | 129 Ų | 129 | 54 Ų | 54 | 79% | 0.791 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -80 | -14.3 | 173.6 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 109 | E | 90.5 | Very high | 93.9 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 35% | 0.346 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -117.9 | 159 | -176.1 | -67.1 | 177.5 | -176.5 | 0 | 0 | 110.7 | L107 I111 A125 S126 | L107-E109 VanDerWaalsContact C-N 3.29Å; E109-I111 PolarHBondContact O-N 3.29Å; E109-A125 HydrophobicContact CB-CB 3.99Å; E109-S126 VanDerWaalsContact OE2-CB 3.27Å; E109-S126 WeakPolarHBondContact OE2-CB 3.34Å; E109-S126 PolarHBondContact OE2-N 3.38Å |
| 110 | S | 92.8 | Very high | 93.8 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | trans | -62.3 | 136.5 | 174.3 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | A87 K112 | A87-S110 CarbonylContact O-C 3.57Å; A87-S110 WeakPolarHBondContact O-CA 3.43Å; S110-K112 VanDerWaalsContact OG-CE 3.32Å; S110-K112 WeakPolarHBondContact OG-CE 3.48Å; S110-K112 PolarHBondContact OG-NZ 2.85Å | ||
| 111 | I | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -60.6 | 135.8 | 170.4 | -59.1 | 163.6 | 0 | 0 | 0 | 109.6 | A67 A85 A87 I90 T105 L107 E109 A113 L123 S124 | A67-I111 VanDerWaalsContact CB-O 3.26Å; A67-I111 WeakPolarHBondContact CB-O 3.12Å; A85-I111 HydrophobicContact CB-CB 4Å; A85-I111 HydrophobicContact CB-CD1 4.12Å; A85-I111 HydrophobicContact CB-CG2 3.68Å; A87-I111 PolarHBondContact O-N 2.87Å; I90-I111 HydrophobicContact CD1-CD1 4.14Å; I90-I111 HydrophobicContact CG1-CD1 3.82Å; T105-I111 HydrophobicContact CG2-CD1 4.18Å; L107-I111 HydrophobicContact CD1-CG1 3.73Å; E109-I111 PolarHBondContact O-N 3.29Å; I111-A113 WeakPolarHBondContact CG2-O 3.37Å; I111-L123 HydrophobicContact CD1-CD1 4.3Å; I111-S124 WeakPolarHBondContact CA-O 3.43Å | ||
| 112 | K | 95.8 | Very high | 94 | Very high | 90 Ų | 90 | 40 Ų | 40 | 39% | 0.391 | 23% | 0.226 | S | C | . | . | trans | -113 | -37.5 | 178.8 | -60.6 | -55.9 | -172.4 | -166.2 | 0 | 112.4 | R68 S110 S124 | R68-K112 PolarHBondContact NE-O 3.45Å; R68-K112 PolarHBondContact NH2-O 2.84Å; S110-K112 VanDerWaalsContact OG-CE 3.32Å; S110-K112 WeakPolarHBondContact OG-CE 3.48Å; S110-K112 PolarHBondContact OG-NZ 2.85Å; K112-S124 PolarHBondContact N-O 3.08Å | ||
| 113 | A | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I111 S124 V150 | I111-A113 WeakPolarHBondContact CG2-O 3.37Å; A113-S124 VanDerWaalsContact CB-OG 3.26Å; A113-S124 WeakPolarHBondContact CB-OG 3.42Å; A113-S124 PolarHBondContact N-O 3.36Å; A113-S124 PolarHBondContact N-OG 2.75Å; A113-S124 PolarHBondContact O-N 2.7Å; A113-V150 HydrophobicContact CB-CG1 3.93Å |
| 114 | M | 97.6 | Very high | 94 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 136.7 | -176.5 | 175.3 | 173.8 | 75.1 | 0 | 0 | 108.9 | R68 E70 F83 A85 I90 I116 L121 F122 L123 | R68-M114 HydrophobicContact CB-CB 4.4Å; R68-M114 HydrophobicContact CG-CB 4.18Å; E70-M114 HydrophobicContact CB-CE 4.05Å; E70-M114 HydrophobicContact CG-CE 4.46Å; F83-M114 HydrophobicContact CB-CE 3.79Å; F83-M114 HydrophobicContact CB-SD 4.49Å; A85-M114 HydrophobicContact CB-SD 4.3Å; I90-M114 HydrophobicContact CD1-SD 4.1Å; I90-M114 HydrophobicContact CG1-SD 4.22Å; I90-M114 HydrophobicContact CG2-SD 4.34Å; M114-I116 HydrophobicContact CE-CD1 4.13Å; M114-I116 HydrophobicContact CG-CG1 4.21Å; M114-I116 HydrophobicContact SD-CD1 4.24Å; M114-I116 HydrophobicContact SD-CG1 4.5Å; M114-L121 HydrophobicContact CG-CD1 3.89Å; M114-L121 HydrophobicContact SD-CD1 3.91Å; M114-F122 CarbonylContact C-O 3.6Å; M114-F122 VanDerWaalsContact CA-O 3.28Å; M114-F122 WeakPolarHBondContact CA-O 3.41Å; M114-L123 HydrophobicContact CB-CD2 3.87Å; M114-L123 HydrophobicContact CG-CD2 3.56Å; M114-L123 HydrophobicContact SD-CD2 4.05Å |
| 115 | H | 97.6 | Very high | 94 | Very high | 32 Ų | 32 | 30.1 Ų | 30.1 | 15% | 0.148 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144.8 | 168.6 | -177.2 | 75.7 | 0 | 0 | 0 | 109.9 | F122 V150 C152 | H115-F122 HydrophobicContact CB-CB 4.32Å; H115-F122 HydrophobicContact CB-CD2 4.48Å; H115-F122 AromaticContact CD2-CD2 3.87Å; H115-F122 PolarHBondContact N-O 3.31Å; H115-F122 PolarHBondContact O-N 3.16Å; H115-V150 HydrophobicContact CB-CG1 4.5Å; H115-V150 WeakPolarHBondContact CB-O 3.43Å; H115-C152 PolarHBondContact CD2-N 2.79Å; H115-C152 VanDerWaalsContact CD2-N 3.26Å |
| 116 | I | 95.6 | Very high | 94 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.1 | -174.5 | -55.2 | -178.7 | 0 | 0 | 0 | 108.7 | E70 F83 M114 L121 | E70-I116 HydrophobicContact CB-CD1 4.32Å; F83-I116 HydrophobicContact CB-CD1 3.25Å; F83-I116 HydrophobicContact CD1-CD1 3.72Å; F83-I116 HydrophobicContact CD2-CD1 3.36Å; F83-I116 HydrophobicContact CE1-CD1 4.34Å; F83-I116 HydrophobicContact CE2-CD1 4.03Å; F83-I116 HydrophobicContact CG-CD1 3.17Å; F83-I116 HydrophobicContact CZ-CD1 4.48Å; M114-I116 HydrophobicContact CE-CD1 4.13Å; M114-I116 HydrophobicContact CG-CG1 4.21Å; M114-I116 HydrophobicContact SD-CD1 4.24Å; M114-I116 HydrophobicContact SD-CG1 4.5Å; I116-L121 HydrophobicContact CD1-CD1 4.2Å; I116-L121 HydrophobicContact CG1-CD1 3.77Å |
| 117 | S | 94.1 | Very high | 94.4 | Very high | 14 Ų | 14 | 27.4 Ų | 27.4 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 100 | 174.6 | -164.9 | 0 | 0 | 0 | 0 | 109.1 | S119 D120 | S117-S119 PolarHBondContact O-N 3.46Å; S117-D120 PolarHBondContact N-O 3.49Å; S117-D120 WeakPolarHBondContact O-CB 3.49Å; S117-D120 PolarHBondContact O-N 3.49Å |
| 118 | G | 91.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 27.9 Ų | 27.9 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | -119.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | G73 | G73-G118 WeakPolarHBondContact O-CA 3.31Š|
| 119 | S | 92.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 21.8 Ų | 21.8 | 41% | 0.413 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.3 | 174.3 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | S117 D134 | S117-S119 PolarHBondContact O-N 3.46Å; S119-D134 VanDerWaalsContact CB-OD1 3.29Å; S119-D134 WeakPolarHBondContact CB-OD1 3.49Å; S119-D134 PolarHBondContact O-N 2.79Å |
| 120 | D | 96.1 | Very high | 95.6 | Very high | 21 Ų | 21 | 18.2 Ų | 18.2 | 11% | 0.112 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 133.1 | -180 | -64.2 | -66.2 | 0 | 0 | 0 | 111.2 | S117 F122 H131 Y132 C133 | S117-D120 PolarHBondContact N-O 3.49Å; S117-D120 WeakPolarHBondContact O-CB 3.49Å; S117-D120 PolarHBondContact O-N 3.49Å; D120-F122 HydrophobicContact CB-CE2 3.79Å; D120-F122 HydrophobicContact CB-CZ 3.76Å; D120-H131 IonicContact OD1-CD2 2.91Å; D120-H131 IonicContact OD1-CE1 2.84Å; D120-H131 PolarHBondContact OD1-CE1 3.13Å; D120-H131 IonicContact OD1-NE2 3.38Å; D120-H131 PolarHBondContact OD1-NE2 2.91Å; D120-Y132 WeakPolarHBondContact CA-O 3.21Å; D120-C133 PolarHBondContact OD1-SG 2.89Å |
| 121 | L | 96.9 | Very high | 95.9 | Very high | 14 Ų | 14 | 16.2 Ų | 16.2 | 7% | 0.073 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 115.7 | -175.4 | 177.9 | 68.6 | 0 | 0 | 0 | 109 | I90 F103 M114 I116 L123 H131 Y132 | I90-L121 HydrophobicContact CD1-CD1 4.08Å; I90-L121 HydrophobicContact CD1-CD2 3.37Å; I90-L121 HydrophobicContact CD1-CG 4.09Å; F103-L121 HydrophobicContact CD1-CD2 4.07Å; F103-L121 HydrophobicContact CE1-CD2 4.19Å; M114-L121 HydrophobicContact CG-CD1 3.89Å; M114-L121 HydrophobicContact SD-CD1 3.91Å; I116-L121 HydrophobicContact CD1-CD1 4.2Å; I116-L121 HydrophobicContact CG1-CD1 3.77Å; L121-L123 HydrophobicContact CD1-CD2 3.76Å; L121-L123 HydrophobicContact CD2-CD1 4.19Å; L121-L123 HydrophobicContact CD2-CD2 4.26Å; L121-L123 HydrophobicContact CD2-CG 4.34Å; L121-L123 HydrophobicContact CG-CD1 4.39Å; L121-L123 HydrophobicContact CG-CD2 3.77Å; L121-L123 HydrophobicContact CG-CG 3.99Å; L121-H131 WeakPolarHBondContact O-CA 3.47Å; L121-Y132 PolarHBondContact N-O 3.48Å; L121-Y132 PolarHBondContact O-N 2.92Å |
| 122 | F | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.6 | -177.4 | -55.2 | -75.7 | 0 | 0 | 0 | 109 | M114 H115 D120 Y129 H131 V150 C152 I161 P163 | M114-F122 CarbonylContact C-O 3.6Å; M114-F122 VanDerWaalsContact CA-O 3.28Å; M114-F122 WeakPolarHBondContact CA-O 3.41Å; H115-F122 HydrophobicContact CB-CB 4.32Å; H115-F122 HydrophobicContact CB-CD2 4.48Å; H115-F122 AromaticContact CD2-CD2 3.87Å; H115-F122 PolarHBondContact N-O 3.31Å; H115-F122 PolarHBondContact O-N 3.16Å; D120-F122 HydrophobicContact CB-CE2 3.79Å; D120-F122 HydrophobicContact CB-CZ 3.76Å; F122-Y129 HydrophobicContact CB-CE2 4.16Å; F122-Y129 HydrophobicContact CD1-CE2 4.21Å; F122-Y129 WeakPolarHBondContact CD1-OH 3.46Å; F122-H131 HydrophobicContact CD1-CB 3.95Å; F122-H131 AromaticContact CD1-CD2 3.63Å; F122-H131 AromaticContact CD1-CG 3.83Å; F122-H131 HydrophobicContact CE1-CB 4.13Å; F122-H131 AromaticContact CE1-CD2 3.28Å; F122-H131 WeakPolarHBondContact CE1-CD2 3.19Å; F122-H131 AromaticContact CE1-CG 3.55Å; F122-H131 AromaticContact CE1-NE2 3.69Å; F122-H131 AromaticContact CZ-CD2 3.9Å; F122-H131 AromaticContact CZ-NE2 3.96Å; F122-V150 HydrophobicContact CB-CG2 4.02Å; F122-C152 HydrophobicContact CD2-CB 3.83Å; F122-C152 HydrophobicContact CE2-CB 3.5Å; F122-C152 VanDerWaalsContact CE2-CB 3.5Å; F122-C152 HydrophobicContact CZ-CB 3.92Å; F122-I161 HydrophobicContact CE1-CG2 3.68Å; F122-I161 HydrophobicContact CZ-CG2 3.61Å; F122-P163 HydrophobicContact CD1-CB 4.45Å; F122-P163 HydrophobicContact CE1-CG 4.33Å |
| 123 | L | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.9 | -173.5 | -53.6 | -178.8 | 0 | 0 | 0 | 110.8 | I90 T105 I111 M114 L121 Y129 N130 Y132 | I90-L123 HydrophobicContact CD1-CD1 3.36Å; I90-L123 HydrophobicContact CD1-CD2 3.43Å; I90-L123 VanDerWaalsContact CD1-CD2 3.43Å; I90-L123 HydrophobicContact CD1-CG 3.98Å; T105-L123 HydrophobicContact CG2-CD1 3.62Å; I111-L123 HydrophobicContact CD1-CD1 4.3Å; M114-L123 HydrophobicContact CB-CD2 3.87Å; M114-L123 HydrophobicContact CG-CD2 3.56Å; M114-L123 HydrophobicContact SD-CD2 4.05Å; L121-L123 HydrophobicContact CD1-CD2 3.76Å; L121-L123 HydrophobicContact CD2-CD1 4.19Å; L121-L123 HydrophobicContact CD2-CD2 4.26Å; L121-L123 HydrophobicContact CD2-CG 4.34Å; L121-L123 HydrophobicContact CG-CD1 4.39Å; L121-L123 HydrophobicContact CG-CD2 3.77Å; L121-L123 HydrophobicContact CG-CG 3.99Å; L123-Y129 WeakPolarHBondContact O-CA 3.45Å; L123-Y129 WeakPolarHBondContact O-CD2 3.47Å; L123-N130 PolarHBondContact N-O 3.36Å; L123-N130 PolarHBondContact O-N 2.94Å; L123-Y132 HydrophobicContact CD1-CD2 3.93Å; L123-Y132 HydrophobicContact CD1-CE2 3.7Å; L123-Y132 HydrophobicContact CG-CD2 4.37Å; L123-Y132 HydrophobicContact CG-CE2 4.43Å |
| 124 | S | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.5 | 165.1 | 74.1 | 0 | 0 | 0 | 0 | 112 | I111 K112 A113 I128 | I111-S124 WeakPolarHBondContact CA-O 3.43Å; K112-S124 PolarHBondContact N-O 3.08Å; A113-S124 VanDerWaalsContact CB-OG 3.26Å; A113-S124 WeakPolarHBondContact CB-OG 3.42Å; A113-S124 PolarHBondContact N-O 3.36Å; A113-S124 PolarHBondContact N-OG 2.75Å; A113-S124 PolarHBondContact O-N 2.7Å; S124-I128 CarbonylContact C-O 3.53Å; S124-I128 VanDerWaalsContact CA-O 3.29Å; S124-I128 WeakPolarHBondContact CA-O 3.32Å |
| 125 | A | 94.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -95.3 | -144.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L107 E109 I128 | L107-A125 HydrophobicContact CD1-CB 4.47Å; L107-A125 HydrophobicContact CD2-CB 4.28Å; E109-A125 HydrophobicContact CB-CB 3.99Å; A125-I128 HydrophobicContact CB-CB 4.29Å; A125-I128 PolarHBondContact N-O 3.24Å | ||
| 126 | S | 92.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 26.8 Ų | 26.8 | 23% | 0.231 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -73.3 | -47 | 175.1 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | E109 K146 I147 | E109-S126 VanDerWaalsContact OE2-CB 3.27Å; E109-S126 WeakPolarHBondContact OE2-CB 3.34Å; E109-S126 PolarHBondContact OE2-N 3.38Å; S126-K146 CarbonylContact O-C 3.54Å; S126-K146 WeakPolarHBondContact O-CA 3.31Å; S126-I147 PolarHBondContact O-N 3Å |
| 127 | Y | 94.5 | Very high | 95.4 | Very high | 19 Ų | 19 | 29.6 Ų | 29.6 | 8% | 0.075 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -123 | -14.3 | 179.5 | -62.2 | -91.5 | 0 | 0 | 0 | 113.3 | S143 D145 K146 P532 | Y127-S143 WeakPolarHBondContact O-CB 3.27Å; Y127-S143 PolarHBondContact O-N 3.06Å; Y127-D145 VanDerWaalsContact CD1-C 3.47Å; Y127-K146 HydrophobicContact CD1-CG 4.39Å; Y127-K146 HydrophobicContact CE1-CG 3.71Å; Y127-K146 HydrophobicContact CE2-CG 4.04Å; Y127-K146 WeakPolarHBondContact OH-CE 3.42Å; Y127-P532 HydrophobicContact CE1-CB 4.26Å |
| 128 | I | 95.5 | Very high | 95.5 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.2 | -174 | -63.1 | 168.5 | 0 | 0 | 0 | 109.1 | L107 S124 A125 N130 Y140 L142 | L107-I128 HydrophobicContact CD2-CB 4.12Å; L107-I128 HydrophobicContact CD2-CG2 3.56Å; S124-I128 CarbonylContact C-O 3.53Å; S124-I128 VanDerWaalsContact CA-O 3.29Å; S124-I128 WeakPolarHBondContact CA-O 3.32Å; A125-I128 HydrophobicContact CB-CB 4.29Å; A125-I128 PolarHBondContact N-O 3.24Å; I128-N130 WeakPolarHBondContact CG2-OD1 3.15Å; I128-Y140 HydrophobicContact CB-CE2 4.44Å; I128-Y140 HydrophobicContact CG1-CE2 4.31Å; I128-Y140 HydrophobicContact CG2-CD2 3.95Å; I128-Y140 HydrophobicContact CG2-CE2 3.42Å; I128-Y140 VanDerWaalsContact CG2-CE2 3.42Å; I128-L142 HydrophobicContact CG1-CD1 3.87Å |
| 129 | Y | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.7 | 164.7 | 161.4 | -96.3 | 0 | 0 | 0 | 109.7 | F122 L123 H131 Y140 Y141 V150 P163 L165 L175 | F122-Y129 HydrophobicContact CB-CE2 4.16Å; F122-Y129 HydrophobicContact CD1-CE2 4.21Å; F122-Y129 WeakPolarHBondContact CD1-OH 3.46Å; L123-Y129 WeakPolarHBondContact O-CA 3.45Å; L123-Y129 WeakPolarHBondContact O-CD2 3.47Å; Y129-H131 HydrophobicContact CE1-CB 4.36Å; Y129-Y140 WeakPolarHBondContact O-CA 3.44Å; Y129-Y141 PolarHBondContact N-O 3.15Å; Y129-Y141 PolarHBondContact O-N 3.32Å; Y129-V150 HydrophobicContact CD2-CG2 4.11Å; Y129-V150 HydrophobicContact CE2-CG2 3.86Å; Y129-P163 HydrophobicContact CE2-CB 4.28Å; Y129-P163 VanDerWaalsContact OH-CB 3.22Å; Y129-P163 WeakPolarHBondContact OH-CB 2.99Å; Y129-P163 WeakPolarHBondContact OH-CG 3.33Å; Y129-L165 HydrophobicContact CD2-CD2 3.55Å; Y129-L165 HydrophobicContact CE2-CD2 4.02Å; Y129-L165 HydrophobicContact CG-CD1 4.2Å; Y129-L165 HydrophobicContact CG-CD2 4.02Å; Y129-L175 HydrophobicContact CD1-CD1 3.87Å; Y129-L175 HydrophobicContact CE1-CD1 3.81Å; Y129-L175 HydrophobicContact CG-CD1 4.45Å |
| 130 | N | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.1 | 171.2 | -77.1 | 93.2 | 0 | 0 | 0 | 110.8 | L107 L123 I128 Y132 H139 | L107-N130 WeakPolarHBondContact CD2-OD1 3.36Å; L123-N130 PolarHBondContact N-O 3.36Å; L123-N130 PolarHBondContact O-N 2.94Å; I128-N130 WeakPolarHBondContact CG2-OD1 3.15Å; N130-Y132 HydrophobicContact CB-CD2 4.11Å; N130-Y132 HydrophobicContact CB-CE2 3.4Å; N130-H139 WeakPolarHBondContact CA-O 3.43Å |
| 131 | H | 97.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124 | 167.5 | 169.6 | -142.4 | 0 | 0 | 0 | 109.3 | D120 L121 F122 Y129 Q138 H139 | D120-H131 IonicContact OD1-CD2 2.91Å; D120-H131 IonicContact OD1-CE1 2.84Å; D120-H131 PolarHBondContact OD1-CE1 3.13Å; D120-H131 IonicContact OD1-NE2 3.38Å; D120-H131 PolarHBondContact OD1-NE2 2.91Å; L121-H131 WeakPolarHBondContact O-CA 3.47Å; F122-H131 HydrophobicContact CD1-CB 3.95Å; F122-H131 AromaticContact CD1-CD2 3.63Å; F122-H131 AromaticContact CD1-CG 3.83Å; F122-H131 HydrophobicContact CE1-CB 4.13Å; F122-H131 AromaticContact CE1-CD2 3.28Å; F122-H131 WeakPolarHBondContact CE1-CD2 3.19Å; F122-H131 AromaticContact CE1-CG 3.55Å; F122-H131 AromaticContact CE1-NE2 3.69Å; F122-H131 AromaticContact CZ-CD2 3.9Å; F122-H131 AromaticContact CZ-NE2 3.96Å; Y129-H131 HydrophobicContact CE1-CB 4.36Å; H131-Q138 PolarHBondContact O-N 3.2Å; H131-H139 HydrophobicContact CB-CB 4.04Å; H131-H139 AromaticContact CE1-CD2 3.97Å; H131-H139 PolarHBondContact N-O 3.13Å; H131-H139 AromaticContact ND1-CD2 3.04Å; H131-H139 PolarHBondContact ND1-CD2 2.95Å; H131-H139 AromaticContact ND1-CG 3.9Å; H131-H139 AromaticContact ND1-NE2 3.7Å; H131-H139 PolarHBondContact O-N 2.94Å |
| 132 | Y | 97.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 142.1 | 173.8 | -60.7 | -93 | 0 | 0 | 0 | 109.9 | F103 N106 D120 L121 L123 N130 K136 D137 | F103-Y132 AromaticContact CE1-CD1 3.84Å; F103-Y132 HydrophobicContact CE1-CD1 3.84Å; F103-Y132 HydrophobicContact CE1-CD2 4.15Å; F103-Y132 HydrophobicContact CE1-CE1 4.01Å; F103-Y132 HydrophobicContact CE1-CE2 4.3Å; F103-Y132 AromaticContact CE1-CG 3.91Å; F103-Y132 HydrophobicContact CE1-CG 3.91Å; F103-Y132 AromaticContact CZ-CD1 3.53Å; F103-Y132 HydrophobicContact CZ-CD1 3.53Å; F103-Y132 AromaticContact CZ-CE1 3.53Å; F103-Y132 HydrophobicContact CZ-CE1 3.53Å; F103-Y132 HydrophobicContact CZ-CG 4.09Å; N106-Y132 VanDerWaalsContact CG-OH 3.32Å; N106-Y132 PolarHBondContact N-OH 3.33Å; N106-Y132 PolarHBondContact OD1-OH 3.21Å; D120-Y132 WeakPolarHBondContact CA-O 3.21Å; L121-Y132 PolarHBondContact N-O 3.48Å; L121-Y132 PolarHBondContact O-N 2.92Å; L123-Y132 HydrophobicContact CD1-CD2 3.93Å; L123-Y132 HydrophobicContact CD1-CE2 3.7Å; L123-Y132 HydrophobicContact CG-CD2 4.37Å; L123-Y132 HydrophobicContact CG-CE2 4.43Å; N130-Y132 HydrophobicContact CB-CD2 4.11Å; N130-Y132 HydrophobicContact CB-CE2 3.4Å; Y132-K136 CarbonylContact C-O 3.4Å; Y132-K136 VanDerWaalsContact CA-O 3.28Å; Y132-K136 WeakPolarHBondContact CA-O 3.4Å; Y132-D137 HydrophobicContact CD1-CB 4.1Å; Y132-D137 HydrophobicContact CE1-CB 3.87Å |
| 133 | C | 96.2 | Very high | 95.6 | Very high | 34 Ų | 34 | 41.4 Ų | 41.4 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120 | 167.9 | -165.7 | 0 | 0 | 0 | 0 | 107.9 | D120 C135 K136 Q138 | D120-C133 PolarHBondContact OD1-SG 2.89Å; C133-C135 VanDerWaalsContact C-N 3.29Å; C133-C135 PolarHBondContact O-N 3.48Å; C133-K136 PolarHBondContact N-O 3.05Å; C133-K136 WeakPolarHBondContact O-CB 3.25Å; C133-K136 PolarHBondContact O-N 3.01Å; C133-Q138 HydrophobicContact CB-CG 3.77Å |
| 134 | D | 93.3 | Very high | 95.3 | Very high | 113 Ų | 113 | 42.9 Ų | 42.9 | 60% | 0.604 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 47 | -173.7 | -68.3 | -39.7 | 0 | 0 | 0 | 113.2 | S119 K136 | S119-D134 VanDerWaalsContact CB-OD1 3.29Å; S119-D134 WeakPolarHBondContact CB-OD1 3.49Å; S119-D134 PolarHBondContact O-N 2.79Å; D134-K136 PolarHBondContact O-N 3.42Å; D134-K136 VanDerWaalsContact O-N 3.13Å |
| 135 | C | 93.3 | Very high | 95.2 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 33% | 0.331 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 16.5 | -178.1 | -57.6 | 0 | 0 | 0 | 0 | 114.9 | F103 C133 | F103-C135 HydrophobicContact CD1-CB 4.45Å; F103-C135 HydrophobicContact CD2-CB 3.72Å; F103-C135 HydrophobicContact CE1-CB 4.47Å; F103-C135 HydrophobicContact CE2-CB 3.76Å; F103-C135 HydrophobicContact CG-CB 4.1Å; F103-C135 HydrophobicContact CZ-CB 4.15Å; C133-C135 VanDerWaalsContact C-N 3.29Å; C133-C135 PolarHBondContact O-N 3.48Å |
| 136 | K | 95.3 | Very high | 95.2 | Very high | 145 Ų | 145 | 47.2 Ų | 47.2 | 63% | 0.63 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.9 | 172.6 | -61.5 | 175.6 | -175.4 | 171.4 | 0 | 109.8 | Y132 C133 D134 Q138 | Y132-K136 CarbonylContact C-O 3.4Å; Y132-K136 VanDerWaalsContact CA-O 3.28Å; Y132-K136 WeakPolarHBondContact CA-O 3.4Å; C133-K136 PolarHBondContact N-O 3.05Å; C133-K136 WeakPolarHBondContact O-CB 3.25Å; C133-K136 PolarHBondContact O-N 3.01Å; D134-K136 PolarHBondContact O-N 3.42Å; D134-K136 VanDerWaalsContact O-N 3.13Å; K136-Q138 PolarHBondContact O-N 3.39Å; K136-Q138 PolarHBondContact O-NE2 2.96Å |
| 137 | D | 95.4 | Very high | 95.5 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 130.5 | 178.1 | -158.7 | -15.8 | 0 | 0 | 0 | 110.1 | N106 Y132 | N106-D137 PolarHBondContact ND2-OD2 2.82Å; Y132-D137 HydrophobicContact CD1-CB 4.1Å; Y132-D137 HydrophobicContact CE1-CB 3.87Å |
| 138 | Q | 96.6 | Very high | 95.6 | Very high | 97 Ų | 97 | 46.6 Ų | 46.6 | 45% | 0.453 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -51.2 | -179.9 | -62.7 | -56.9 | -47.2 | 0 | 0 | 111 | H131 C133 K136 | H131-Q138 PolarHBondContact O-N 3.2Å; C133-Q138 HydrophobicContact CB-CG 3.77Å; K136-Q138 PolarHBondContact O-N 3.39Å; K136-Q138 PolarHBondContact O-NE2 2.96Å |
| 139 | H | 97.2 | Very high | 95.8 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 27% | 0.269 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146.7 | -173.5 | -49.1 | -41.1 | 0 | 0 | 0 | 111 | N130 H131 | N130-H139 WeakPolarHBondContact CA-O 3.43Å; H131-H139 HydrophobicContact CB-CB 4.04Å; H131-H139 AromaticContact CE1-CD2 3.97Å; H131-H139 PolarHBondContact N-O 3.13Å; H131-H139 AromaticContact ND1-CD2 3.04Å; H131-H139 PolarHBondContact ND1-CD2 2.95Å; H131-H139 AromaticContact ND1-CG 3.9Å; H131-H139 AromaticContact ND1-NE2 3.7Å; H131-H139 PolarHBondContact O-N 2.94Å |
| 140 | Y | 96.2 | Very high | 95.8 | Very high | 110 Ų | 110 | 45.6 Ų | 45.6 | 43% | 0.431 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 133.2 | -178.4 | 170.5 | -90.4 | 0 | 0 | 0 | 108.8 | I128 Y129 L142 S178 | I128-Y140 HydrophobicContact CB-CE2 4.44Å; I128-Y140 HydrophobicContact CG1-CE2 4.31Å; I128-Y140 HydrophobicContact CG2-CD2 3.95Å; I128-Y140 HydrophobicContact CG2-CE2 3.42Å; I128-Y140 VanDerWaalsContact CG2-CE2 3.42Å; Y129-Y140 WeakPolarHBondContact O-CA 3.44Å; Y140-L142 HydrophobicContact CE1-CB 4.07Å; Y140-S178 PolarHBondContact N-OG 3.35Å; Y140-S178 VanDerWaalsContact O-CB 3.27Å; Y140-S178 WeakPolarHBondContact O-CB 3.34Å; Y140-S178 PolarHBondContact O-OG 2.74Å |
| 141 | Y | 96.1 | Very high | 95.9 | Very high | 40 Ų | 40 | 46 Ų | 46 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 135.4 | 173.4 | 176.9 | -108.4 | 0 | 0 | 0 | 110.2 | Y129 L165 L175 S178 V180 | Y129-Y141 PolarHBondContact N-O 3.15Å; Y129-Y141 PolarHBondContact O-N 3.32Å; Y141-L165 HydrophobicContact CD1-CD1 3.63Å; Y141-L165 HydrophobicContact CE1-CD1 3.98Å; Y141-L175 HydrophobicContact CD1-CD1 4.21Å; Y141-L175 HydrophobicContact CG-CD1 4.25Å; Y141-S178 WeakPolarHBondContact CD2-O 3.49Å; Y141-V180 HydrophobicContact CE1-CG2 4.44Å; Y141-V180 HydrophobicContact CE2-CG2 3.64Å; Y141-V180 WeakPolarHBondContact OH-CG2 3.44Å |
| 142 | L | 94.6 | Very high | 95.9 | Very high | 66 Ų | 66 | 46 Ų | 46 | 35% | 0.346 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 105.3 | 172.9 | -177.9 | 66.6 | 0 | 0 | 0 | 108.9 | I128 Y140 | I128-L142 HydrophobicContact CG1-CD1 3.87Å; Y140-L142 HydrophobicContact CE1-CB 4.07Å |
| 143 | S | 93.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | trans | -69.1 | 142.6 | 178.1 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | Y127 D145 R173 | Y127-S143 WeakPolarHBondContact O-CB 3.27Å; Y127-S143 PolarHBondContact O-N 3.06Å; S143-D145 WeakPolarHBondContact CB-O 3.48Å; S143-D145 PolarHBondContact O-N 2.86Å; S143-D145 PolarHBondContact OG-N 3.43Å; S143-D145 PolarHBondContact OG-O 3.11Å; S143-R173 PolarHBondContact OG-NH1 2.94Å | ||
| 144 | G | 90.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -69 | -17.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 145 | D | 94 | Very high | 95.6 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -136.9 | 170.3 | 176 | -141.3 | -54.2 | 0 | 0 | 0 | 111.7 | Y127 S143 D169 R496 | Y127-D145 VanDerWaalsContact CD1-C 3.47Å; S143-D145 WeakPolarHBondContact CB-O 3.48Å; S143-D145 PolarHBondContact O-N 2.86Å; S143-D145 PolarHBondContact OG-N 3.43Å; S143-D145 PolarHBondContact OG-O 3.11Å; D145-D169 HydrophobicContact CB-CB 3.97Å; D145-D169 WeakPolarHBondContact OD2-CB 3.2Å; D145-R496 IonicContact OD2-CZ 3.76Å; D145-R496 IonicContact OD2-NH1 2.83Å; D145-R496 PolarHBondContact OD2-NH1 2.85Å |
| 146 | K | 95.8 | Very high | 95.3 | Very high | 84 Ų | 84 | 42.8 Ų | 42.8 | 37% | 0.365 | 21% | 0.209 | S | C | . | . | trans | -62.4 | 140.6 | -176.7 | -67.8 | 178 | -178.1 | 172.1 | 0 | 111.4 | S126 Y127 C167 Q168 | S126-K146 CarbonylContact O-C 3.54Å; S126-K146 WeakPolarHBondContact O-CA 3.31Å; Y127-K146 HydrophobicContact CD1-CG 4.39Å; Y127-K146 HydrophobicContact CE1-CG 3.71Å; Y127-K146 HydrophobicContact CE2-CG 4.04Å; Y127-K146 WeakPolarHBondContact OH-CE 3.42Å; K146-C167 CarbonylContact O-C 3.5Å; K146-C167 VanDerWaalsContact O-CA 3.29Å; K146-C167 WeakPolarHBondContact O-CA 3.42Å; K146-Q168 HydrophobicContact CB-CB 3.99Å; K146-Q168 PolarHBondContact O-N 2.7Å | ||
| 147 | I | 97.8 | Very high | 95 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 123.2 | 175.9 | -55.6 | 168 | 0 | 0 | 0 | 108.8 | S126 L165 A166 | S126-I147 PolarHBondContact O-N 3Å; I147-L165 HydrophobicContact CD1-CD1 4.03Å; I147-L165 HydrophobicContact CG2-CB 4.42Å; I147-L165 HydrophobicContact CG2-CD2 4.45Å; I147-A166 WeakPolarHBondContact CA-O 3.4Å |
| 148 | N | 97.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -40.3 | -177.3 | -69.5 | -22.5 | 0 | 0 | 0 | 112.8 | A166 Q168 P190 | N148-A166 PolarHBondContact N-O 3.4Å; N148-Q168 PolarHBondContact ND2-OE1 3.38Å; N148-Q168 PolarHBondContact OD1-OE1 2.91Å; N148-P190 WeakPolarHBondContact CB-O 3.49Å; N148-P190 PolarHBondContact ND2-O 3.3Å |
| 149 | D | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 159.1 | 176.6 | -154 | 5.4 | 0 | 0 | 0 | 110.7 | K19 A166 L193 | K19-D149 IonicContact NZ-OD1 3.15Å; K19-D149 IonicContact NZ-OD2 3.47Å; K19-D149 PolarHBondContact NZ-OD2 3.16Å; D149-A166 HydrophobicContact CB-CB 4.27Å; D149-A166 PolarHBondContact O-N 3.36Å; D149-L193 HydrophobicContact CB-CG 4.31Å; D149-L193 PolarHBondContact OD2-N 2.9Å |
| 150 | V | 98.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.9 | 175.8 | 61 | 0 | 0 | 0 | 0 | 109.8 | A113 H115 F122 Y129 L165 | A113-V150 HydrophobicContact CB-CG1 3.93Å; H115-V150 HydrophobicContact CB-CG1 4.5Å; H115-V150 WeakPolarHBondContact CB-O 3.43Å; F122-V150 HydrophobicContact CB-CG2 4.02Å; Y129-V150 HydrophobicContact CD2-CG2 4.11Å; Y129-V150 HydrophobicContact CE2-CG2 3.86Å; V150-L165 HydrophobicContact CB-CD2 4.01Å; V150-L165 HydrophobicContact CG2-CD2 3.59Å |
| 151 | I | 97.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 5% | 0.046 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 155.2 | 173.7 | -159.5 | 164.6 | 0 | 0 | 0 | 109.8 | P163 V164 L193 L195 L207 | I151-P163 CarbonylContact O-C 3.52Å; I151-P163 WeakPolarHBondContact O-CA 3.4Å; I151-V164 HydrophobicContact CG2-CB 4.12Å; I151-V164 PolarHBondContact N-O 2.9Å; I151-V164 VanDerWaalsContact N-O 3.13Å; I151-V164 PolarHBondContact O-N 3.07Å; I151-L193 HydrophobicContact CB-CB 4.18Å; I151-L193 HydrophobicContact CB-CD1 4.47Å; I151-L193 HydrophobicContact CD1-CB 4.44Å; I151-L193 HydrophobicContact CG2-CB 3.89Å; I151-L193 HydrophobicContact CG2-CD1 3.77Å; I151-L193 HydrophobicContact CG2-CG 4.49Å; I151-L195 HydrophobicContact CD1-CD2 4.2Å; I151-L195 HydrophobicContact CD1-CG 3.83Å; I151-L195 HydrophobicContact CG1-CG 4.37Å; I151-L207 HydrophobicContact CD1-CD1 4.28Å; I151-L207 HydrophobicContact CG2-CD1 3.61Å |
| 152 | C | 97.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.7 | 171.3 | -169.2 | 0 | 0 | 0 | 0 | 109.1 | H115 F122 | H115-C152 PolarHBondContact CD2-N 2.79Å; H115-C152 VanDerWaalsContact CD2-N 3.26Å; F122-C152 HydrophobicContact CD2-CB 3.83Å; F122-C152 HydrophobicContact CE2-CB 3.5Å; F122-C152 VanDerWaalsContact CE2-CB 3.5Å; F122-C152 HydrophobicContact CZ-CB 3.92Å |
| 153 | L | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -61.9 | 149.6 | 169.4 | -63.5 | -177 | 0 | 0 | 0 | 110.4 | V155 L158 T162 L195 I221 | L153-V155 PolarHBondContact O-N 3.44Å; L153-L158 HydrophobicContact CB-CD1 3.57Å; L153-L158 HydrophobicContact CD1-CD1 3.65Å; L153-L158 HydrophobicContact CG-CD1 4.24Å; L153-T162 HydrophobicContact CD1-CG2 3.89Å; L153-T162 HydrophobicContact CG-CG2 4.4Å; L153-T162 PolarHBondContact N-O 3.15Å; L153-L195 HydrophobicContact CD2-CD2 4.03Å; L153-I221 HydrophobicContact CD1-CB 4.03Å; L153-I221 HydrophobicContact CD1-CG2 4Å | ||
| 154 | P | 93.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 7% | 0.071 | 17% | 0.169 | C | C | . | . | trans | -60.9 | 103.2 | -175.8 | 26 | -38 | 0 | 0 | 0 | 112.1 | E156 R157 L158 N199 G204 | P154-E156 PolarHBondContact O-N 3.38Å; P154-R157 HydrophobicContact CB-CB 4.42Å; P154-R157 HydrophobicContact CB-CG 4.34Å; P154-R157 HydrophobicContact CG-CB 4.31Å; P154-R157 HydrophobicContact CG-CG 4.5Å; P154-R157 PolarHBondContact O-N 2.88Å; P154-L158 PolarHBondContact O-N 2.67Å; P154-N199 WeakPolarHBondContact CG-O 3.08Å; P154-G204 WeakPolarHBondContact CD-O 3.47Å; P154-G204 WeakPolarHBondContact CG-O 3.27Å | ||
| 155 | V | 90.7 | Very high | 94.5 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 18% | 0.176 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.8 | -33.3 | -179.7 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | L153 R157 S159 I161 | L153-V155 PolarHBondContact O-N 3.44Å; V155-R157 PolarHBondContact O-N 3.44Å; V155-S159 WeakPolarHBondContact O-CA 3.35Å; V155-S159 PolarHBondContact O-N 2.99Å; V155-I161 HydrophobicContact CG1-CG1 4.33Å; V155-I161 HydrophobicContact CG2-CG1 3.99Å |
| 156 | E | 87.3 | Confident | 94.7 | Very high | 95 Ų | 95 | 29.9 Ų | 29.9 | 44% | 0.444 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.4 | -26.6 | 177.7 | -61.4 | 160.9 | 163.4 | 0 | 0 | 112.8 | L75 N76 P154 | L75-E156 VanDerWaalsContact CA-OE1 3.29Å; L75-E156 WeakPolarHBondContact CA-OE1 3.26Å; L75-E156 HydrophobicContact CB-CG 4.24Å; L75-E156 VanDerWaalsContact CB-OE1 3.32Å; L75-E156 WeakPolarHBondContact CB-OE1 3.32Å; L75-E156 HydrophobicContact CD2-CG 3.97Å; L75-E156 VanDerWaalsContact CD2-OE1 3.28Å; L75-E156 WeakPolarHBondContact CD2-OE1 3.39Å; L75-E156 HydrophobicContact CG-CG 4.45Å; N76-E156 PolarHBondContact N-OE1 2.73Å; P154-E156 PolarHBondContact O-N 3.38Å |
| 157 | R | 89.4 | Confident | 94.8 | Very high | 103 Ų | 103 | 25.9 Ų | 25.9 | 39% | 0.389 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -103.6 | -35.4 | -178.1 | -61.5 | -175.2 | 73.1 | 166.1 | 4.9 | 113.1 | P154 V155 N199 G201 D202 | P154-R157 HydrophobicContact CB-CB 4.42Å; P154-R157 HydrophobicContact CB-CG 4.34Å; P154-R157 HydrophobicContact CG-CB 4.31Å; P154-R157 HydrophobicContact CG-CG 4.5Å; P154-R157 PolarHBondContact O-N 2.88Å; V155-R157 PolarHBondContact O-N 3.44Å; R157-N199 WeakPolarHBondContact CD-O 3.34Å; R157-N199 PolarHBondContact NH1-ND2 2.95Å; R157-N199 PolarHBondContact NH1-O 3.41Å; R157-G201 PolarHBondContact NH1-O 3.3Å; R157-G201 PolarHBondContact NH2-O 3.03Å; R157-D202 PolarHBondContact NH2-O 3.22Å |
| 158 | L | 87.4 | Confident | 94.7 | Very high | 22 Ų | 22 | 29 Ų | 29 | 12% | 0.115 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -98.6 | -10.2 | -173.8 | -58.5 | -176.2 | 0 | 0 | 0 | 114.1 | L153 P154 R160 S203 E205 | L153-L158 HydrophobicContact CB-CD1 3.57Å; L153-L158 HydrophobicContact CD1-CD1 3.65Å; L153-L158 HydrophobicContact CG-CD1 4.24Å; P154-L158 PolarHBondContact O-N 2.67Å; L158-R160 HydrophobicContact CB-CG 3.98Å; L158-R160 PolarHBondContact O-N 2.6Å; L158-S203 WeakPolarHBondContact CD2-O 3.5Å; L158-E205 HydrophobicContact CD1-CG 3.83Å; L158-E205 HydrophobicContact CD2-CG 3.53Å; L158-E205 HydrophobicContact CG-CG 4.34Å |
| 159 | S | 85.1 | Confident | 94.6 | Very high | 119 Ų | 119 | 28 Ų | 28 | 83% | 0.832 | 14% | 0.143 | S | C | * | . | S | Bend | trans | 55.5 | 15.9 | -176.8 | 66.6 | 0 | 0 | 0 | 0 | 115.2 | V155 | V155-S159 WeakPolarHBondContact O-CA 3.35Å; V155-S159 PolarHBondContact O-N 2.99Å |
| 160 | R | 90.1 | Very high | 94.5 | Very high | 57 Ų | 57 | 28.8 Ų | 28.8 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -140.1 | 150.4 | 177.9 | 62.6 | -179.8 | 172.3 | 166.5 | -1.4 | 110 | L158 E205 | L158-R160 HydrophobicContact CB-CG 3.98Å; L158-R160 PolarHBondContact O-N 2.6Å; R160-E205 IonicContact NH2-OE1 2.74Å; R160-E205 PolarHBondContact NH2-OE1 2.93Å |
| 161 | I | 94.7 | Very high | 94.4 | Very high | 50 Ų | 50 | 29 Ų | 29 | 26% | 0.256 | 15% | 0.147 | S | C | . | . | trans | -89.1 | 115.5 | 172 | -63.5 | 174.3 | 0 | 0 | 0 | 107.4 | F122 V155 P163 | F122-I161 HydrophobicContact CE1-CG2 3.68Å; F122-I161 HydrophobicContact CZ-CG2 3.61Å; V155-I161 HydrophobicContact CG1-CG1 4.33Å; V155-I161 HydrophobicContact CG2-CG1 3.99Å; I161-P163 HydrophobicContact CG2-CG 4.28Å | ||
| 162 | T | 96.5 | Very high | 94.4 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | trans | -128.7 | 87.7 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 108.2 | L153 V174 | L153-T162 HydrophobicContact CD1-CG2 3.89Å; L153-T162 HydrophobicContact CG-CG2 4.4Å; L153-T162 PolarHBondContact N-O 3.15Å; T162-V174 HydrophobicContact CG2-CG1 3.63Å | ||
| 163 | P | 97.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 145.3 | 173.4 | 5.5 | 9.7 | 0 | 0 | 0 | 110.2 | F122 Y129 I151 I161 L175 | F122-P163 HydrophobicContact CD1-CB 4.45Å; F122-P163 HydrophobicContact CE1-CG 4.33Å; Y129-P163 HydrophobicContact CE2-CB 4.28Å; Y129-P163 VanDerWaalsContact OH-CB 3.22Å; Y129-P163 WeakPolarHBondContact OH-CB 2.99Å; Y129-P163 WeakPolarHBondContact OH-CG 3.33Å; I151-P163 CarbonylContact O-C 3.52Å; I151-P163 WeakPolarHBondContact O-CA 3.4Å; I161-P163 HydrophobicContact CG2-CG 4.28Å; P163-L175 HydrophobicContact CB-CB 4.47Å; P163-L175 VanDerWaalsContact CD-O 3.3Å; P163-L175 WeakPolarHBondContact CD-O 3.23Å; P163-L175 HydrophobicContact CG-CB 4.09Å; P163-L175 PolarHBondContact O-N 2.92Å |
| 164 | V | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.3 | 176.2 | -171.9 | 0 | 0 | 0 | 0 | 108 | I151 L172 R173 V174 L193 L207 I221 | I151-V164 HydrophobicContact CG2-CB 4.12Å; I151-V164 PolarHBondContact N-O 2.9Å; I151-V164 VanDerWaalsContact N-O 3.13Å; I151-V164 PolarHBondContact O-N 3.07Å; V164-L172 HydrophobicContact CG1-CB 4.16Å; V164-R173 WeakPolarHBondContact CA-O 3.22Å; V164-V174 HydrophobicContact CG1-CG2 4.49Å; V164-L193 HydrophobicContact CG1-CD1 4.33Å; V164-L207 HydrophobicContact CB-CD2 4.25Å; V164-L207 HydrophobicContact CG1-CD2 3.8Å; V164-L207 HydrophobicContact CG2-CD2 4.39Å; V164-I221 HydrophobicContact CB-CD1 4.41Å; V164-I221 HydrophobicContact CG1-CD1 4.11Å; V164-I221 HydrophobicContact CG2-CD1 3.5Å |
| 165 | L | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.4 | 177.8 | -53.4 | -176.2 | 0 | 0 | 0 | 109.8 | Y129 Y141 I147 V150 L172 R173 L175 | Y129-L165 HydrophobicContact CD2-CD2 3.55Å; Y129-L165 HydrophobicContact CE2-CD2 4.02Å; Y129-L165 HydrophobicContact CG-CD1 4.2Å; Y129-L165 HydrophobicContact CG-CD2 4.02Å; Y141-L165 HydrophobicContact CD1-CD1 3.63Å; Y141-L165 HydrophobicContact CE1-CD1 3.98Å; I147-L165 HydrophobicContact CD1-CD1 4.03Å; I147-L165 HydrophobicContact CG2-CB 4.42Å; I147-L165 HydrophobicContact CG2-CD2 4.45Å; V150-L165 HydrophobicContact CB-CD2 4.01Å; V150-L165 HydrophobicContact CG2-CD2 3.59Å; L165-L172 CarbonylContact O-C 3.6Å; L165-L172 VanDerWaalsContact O-CA 3.31Å; L165-L172 WeakPolarHBondContact O-CA 3.45Å; L165-R173 HydrophobicContact CB-CB 4.31Å; L165-R173 PolarHBondContact N-O 3.2Å; L165-R173 PolarHBondContact O-N 2.82Å; L165-L175 HydrophobicContact CD1-CD1 3.65Å; L165-L175 HydrophobicContact CD1-CG 4.34Å; L165-L175 HydrophobicContact CG-CD1 3.96Å; L165-L175 HydrophobicContact CG-CG 4.37Å |
| 166 | A | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 115.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | I147 N148 D149 L172 P190 L193 | I147-A166 WeakPolarHBondContact CA-O 3.4Å; N148-A166 PolarHBondContact N-O 3.4Å; D149-A166 HydrophobicContact CB-CB 4.27Å; D149-A166 PolarHBondContact O-N 3.36Å; A166-L172 HydrophobicContact CB-CD2 3.99Å; A166-P190 HydrophobicContact CB-CB 3.8Å; A166-P190 HydrophobicContact CB-CG 3.78Å; A166-L193 HydrophobicContact CB-CD1 3.8Å; A166-L193 HydrophobicContact CB-CD2 4.13Å; A166-L193 HydrophobicContact CB-CG 3.86Å |
| 167 | C | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146 | -177.1 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | K146 D169 R170 V171 R173 P190 | K146-C167 CarbonylContact O-C 3.5Å; K146-C167 VanDerWaalsContact O-CA 3.29Å; K146-C167 WeakPolarHBondContact O-CA 3.42Å; C167-D169 WeakPolarHBondContact CB-OD1 3.37Å; C167-D169 PolarHBondContact O-N 3.23Å; C167-D169 VanDerWaalsContact O-N 3.09Å; C167-R170 PolarHBondContact O-N 2.89Å; C167-V171 PolarHBondContact N-O 3.31Å; C167-R173 PolarHBondContact SG-NH1 2.91Å; C167-P190 VanDerWaalsContact O-CD 3.23Å; C167-P190 WeakPolarHBondContact O-CD 3.25Å; C167-P190 WeakPolarHBondContact O-CG 3.43Å |
| 168 | Q | 96.4 | Very high | 95.5 | Very high | 71 Ų | 71 | 26 Ų | 26 | 33% | 0.332 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.1 | -172.4 | -176.2 | 61.3 | 39.2 | 0 | 0 | 113.8 | K146 N148 R170 | K146-Q168 HydrophobicContact CB-CB 3.99Å; K146-Q168 PolarHBondContact O-N 2.7Å; N148-Q168 PolarHBondContact ND2-OE1 3.38Å; N148-Q168 PolarHBondContact OD1-OE1 2.91Å; Q168-R170 PolarHBondContact O-N 3.36Å |
| 169 | D | 94.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 6% | 0.059 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 19.7 | 177.3 | 55.3 | -14.3 | 0 | 0 | 0 | 114.7 | D145 C167 V171 R173 R496 H498 | D145-D169 HydrophobicContact CB-CB 3.97Å; D145-D169 WeakPolarHBondContact OD2-CB 3.2Å; C167-D169 WeakPolarHBondContact CB-OD1 3.37Å; C167-D169 PolarHBondContact O-N 3.23Å; C167-D169 VanDerWaalsContact O-N 3.09Å; D169-V171 VanDerWaalsContact C-N 3.32Å; D169-R173 IonicContact OD1-CZ 3.63Å; D169-R173 IonicContact OD1-NH1 3.62Å; D169-R173 PolarHBondContact OD1-NH1 2.83Å; D169-R173 IonicContact OD1-NH2 2.7Å; D169-R173 IonicContact OD2-CZ 3.47Å; D169-R173 IonicContact OD2-NH1 2.72Å; D169-R173 IonicContact OD2-NH2 3.63Å; D169-R173 PolarHBondContact OD2-NH2 3.05Å; D169-R496 VanDerWaalsContact CB-CZ 3.48Å; D169-R496 IonicContact OD2-NH2 3.78Å; D169-R496 PolarHBondContact OD2-NH2 2.95Å; D169-H498 PolarHBondContact O-CE1 3.41Å |
| 170 | R | 96.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 7% | 0.068 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 33.2 | 177.2 | -39 | -175.5 | -170.5 | 159.3 | 17.9 | 113.4 | C167 Q168 V186 P189 Q495 R496 H498 E530 | C167-R170 PolarHBondContact O-N 2.89Å; Q168-R170 PolarHBondContact O-N 3.36Å; R170-V186 VanDerWaalsContact C-CG2 3.45Å; R170-V186 HydrophobicContact CB-CG2 4.36Å; R170-V186 WeakPolarHBondContact CB-O 3.38Å; R170-V186 WeakPolarHBondContact O-CG2 3.35Å; R170-V186 PolarHBondContact O-N 3.45Å; R170-P189 HydrophobicContact CG-CG 4.12Å; R170-Q495 VanDerWaalsContact NH2-NE2 3.16Å; R170-R496 PolarHBondContact NH1-O 2.84Å; R170-R496 PolarHBondContact NH2-O 3.18Å; R170-H498 PolarHBondContact O-CE1 2.82Å; R170-H498 PolarHBondContact O-NE2 3.33Å; R170-E530 IonicContact CZ-OE2 3.24Å; R170-E530 IonicContact NE-OE2 3.31Å; R170-E530 IonicContact NH2-OE1 3.92Å; R170-E530 IonicContact NH2-OE2 3.42Å; R170-E530 PolarHBondContact NH2-OE2 3.23Å |
| 171 | V | 97.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.03 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.4 | 178.5 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | C167 D169 R173 E183 I184 | C167-V171 PolarHBondContact N-O 3.31Å; D169-V171 VanDerWaalsContact C-N 3.32Å; V171-R173 HydrophobicContact CG1-CG 3.93Å; V171-E183 HydrophobicContact CG1-CB 3.58Å; V171-E183 HydrophobicContact CG1-CG 3.82Å; V171-I184 CarbonylContact C-O 3.25Å; V171-I184 WeakPolarHBondContact CA-O 3.45Å |
| 172 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 118.7 | 159.8 | -52.3 | 178.7 | 0 | 0 | 0 | 108.6 | V164 L165 A166 I184 V186 P190 L193 L207 F209 I219 | V164-L172 HydrophobicContact CG1-CB 4.16Å; L165-L172 CarbonylContact O-C 3.6Å; L165-L172 VanDerWaalsContact O-CA 3.31Å; L165-L172 WeakPolarHBondContact O-CA 3.45Å; A166-L172 HydrophobicContact CB-CD2 3.99Å; L172-I184 HydrophobicContact CB-CB 4.15Å; L172-I184 HydrophobicContact CB-CD1 4.34Å; L172-I184 PolarHBondContact N-O 3.13Å; L172-I184 PolarHBondContact O-N 3.04Å; L172-V186 HydrophobicContact CD1-CG1 4Å; L172-V186 HydrophobicContact CG-CG1 3.98Å; L172-P190 HydrophobicContact CD2-CB 3.78Å; L172-P190 HydrophobicContact CD2-CG 3.7Å; L172-L193 HydrophobicContact CD2-CD2 3.92Å; L172-L207 HydrophobicContact CD1-CD2 4.3Å; L172-F209 HydrophobicContact CD1-CB 4.33Å; L172-F209 HydrophobicContact CD1-CG 4.44Å; L172-I219 HydrophobicContact CD1-CD1 4.01Å |
| 173 | R | 97.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 32.2 Ų | 32.2 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114.1 | 177.5 | -61.1 | -176.1 | 166 | 99.9 | 13.5 | 109.1 | S143 V164 L165 C167 D169 V171 E183 | S143-R173 PolarHBondContact OG-NH1 2.94Å; V164-R173 WeakPolarHBondContact CA-O 3.22Å; L165-R173 HydrophobicContact CB-CB 4.31Å; L165-R173 PolarHBondContact N-O 3.2Å; L165-R173 PolarHBondContact O-N 2.82Å; C167-R173 PolarHBondContact SG-NH1 2.91Å; D169-R173 IonicContact OD1-CZ 3.63Å; D169-R173 IonicContact OD1-NH1 3.62Å; D169-R173 PolarHBondContact OD1-NH1 2.83Å; D169-R173 IonicContact OD1-NH2 2.7Å; D169-R173 IonicContact OD2-CZ 3.47Å; D169-R173 IonicContact OD2-NH1 2.72Å; D169-R173 IonicContact OD2-NH2 3.63Å; D169-R173 PolarHBondContact OD2-NH2 3.05Å; V171-R173 HydrophobicContact CG1-CG 3.93Å; R173-E183 HydrophobicContact CG-CG 4.26Å; R173-E183 IonicContact CZ-OE1 2.74Å; R173-E183 IonicContact NE-OE1 2.84Å; R173-E183 PolarHBondContact NE-OE1 3.37Å; R173-E183 IonicContact NH2-OE1 2.69Å; R173-E183 PolarHBondContact NH2-OE1 3.31Å |
| 174 | V | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.6 | 176.2 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | T162 V164 M181 Y182 I184 I221 | T162-V174 HydrophobicContact CG2-CG1 3.63Å; V164-V174 HydrophobicContact CG1-CG2 4.49Å; V174-M181 HydrophobicContact CG1-CB 4.45Å; V174-M181 WeakPolarHBondContact O-CB 3.5Å; V174-M181 PolarHBondContact O-N 2.81Å; V174-Y182 HydrophobicContact CB-CE1 4.39Å; V174-Y182 HydrophobicContact CB-CE2 4.31Å; V174-Y182 HydrophobicContact CG1-CE1 4.31Å; V174-Y182 HydrophobicContact CG2-CD2 4.26Å; V174-Y182 HydrophobicContact CG2-CE2 3.76Å; V174-Y182 PolarHBondContact N-O 2.97Å; V174-Y182 VanDerWaalsContact N-O 3.09Å; V174-I184 HydrophobicContact CG2-CD1 3.68Å; V174-I184 HydrophobicContact CG2-CG1 4.21Å; V174-I221 HydrophobicContact CG1-CG2 3.78Å; V174-I221 HydrophobicContact CG2-CD1 4.36Å; V174-I221 HydrophobicContact CG2-CG2 3.92Å |
| 175 | L | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 156.9 | -176.7 | -59 | -172.8 | 0 | 0 | 0 | 111.8 | Y129 Y141 P163 L165 D179 V180 | Y129-L175 HydrophobicContact CD1-CD1 3.87Å; Y129-L175 HydrophobicContact CE1-CD1 3.81Å; Y129-L175 HydrophobicContact CG-CD1 4.45Å; Y141-L175 HydrophobicContact CD1-CD1 4.21Å; Y141-L175 HydrophobicContact CG-CD1 4.25Å; P163-L175 HydrophobicContact CB-CB 4.47Å; P163-L175 VanDerWaalsContact CD-O 3.3Å; P163-L175 WeakPolarHBondContact CD-O 3.23Å; P163-L175 HydrophobicContact CG-CB 4.09Å; P163-L175 PolarHBondContact O-N 2.92Å; L165-L175 HydrophobicContact CD1-CD1 3.65Å; L165-L175 HydrophobicContact CD1-CG 4.34Å; L165-L175 HydrophobicContact CG-CD1 3.96Å; L165-L175 HydrophobicContact CG-CG 4.37Å; L175-D179 WeakPolarHBondContact CA-O 3.46Å; L175-V180 HydrophobicContact CD2-CB 4.07Å; L175-V180 HydrophobicContact CD2-CG2 3.5Å; L175-V180 VanDerWaalsContact CD2-CG2 3.5Å |
| 176 | Q | 94.4 | Very high | 96.6 | Very high | 106 Ų | 106 | 37.4 Ų | 37.4 | 50% | 0.495 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 114.9 | 158.5 | -175.8 | 175.2 | 6.1 | 0 | 0 | 108 | S178 D179 M181 | Q176-S178 PolarHBondContact O-N 2.9Å; Q176-D179 PolarHBondContact N-O 3.39Å; Q176-D179 PolarHBondContact O-N 3.47Å; Q176-M181 HydrophobicContact CB-CG 3.67Å; Q176-M181 HydrophobicContact CB-SD 3.78Å; Q176-M181 PolarHBondContact OE1-SD 2.87Å |
| 177 | G | 93.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -123.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 178 | S | 96.3 | Very high | 96.1 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 32% | 0.315 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -3.9 | 177.5 | -60.7 | 0 | 0 | 0 | 0 | 113.7 | Y140 Y141 Q176 | Y140-S178 PolarHBondContact N-OG 3.35Å; Y140-S178 VanDerWaalsContact O-CB 3.27Å; Y140-S178 WeakPolarHBondContact O-CB 3.34Å; Y140-S178 PolarHBondContact O-OG 2.74Å; Y141-S178 WeakPolarHBondContact CD2-O 3.49Å; Q176-S178 PolarHBondContact O-N 2.9Å |
| 179 | D | 95.1 | Very high | 96.1 | Very high | 123 Ų | 123 | 36.5 Ų | 36.5 | 66% | 0.658 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145.4 | -171.1 | -61.5 | -56.6 | 0 | 0 | 0 | 111.9 | L175 Q176 | L175-D179 WeakPolarHBondContact CA-O 3.46Å; Q176-D179 PolarHBondContact N-O 3.39Å; Q176-D179 PolarHBondContact O-N 3.47Å |
| 180 | V | 96.3 | Very high | 96.3 | Very high | 53 Ų | 53 | 36 Ų | 36 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.6 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | Y141 L175 E183 | Y141-V180 HydrophobicContact CE1-CG2 4.44Å; Y141-V180 HydrophobicContact CE2-CG2 3.64Å; Y141-V180 WeakPolarHBondContact OH-CG2 3.44Å; L175-V180 HydrophobicContact CD2-CB 4.07Å; L175-V180 HydrophobicContact CD2-CG2 3.5Å; L175-V180 VanDerWaalsContact CD2-CG2 3.5Å; V180-E183 HydrophobicContact CG1-CG 4.04Å |
| 181 | M | 95.9 | Very high | 96.3 | Very high | 78 Ų | 78 | 36.1 Ų | 36.1 | 38% | 0.384 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -54.8 | 174.1 | -74.8 | -84.3 | -50.3 | 0 | 0 | 110.9 | V174 Q176 T223 | V174-M181 HydrophobicContact CG1-CB 4.45Å; V174-M181 WeakPolarHBondContact O-CB 3.5Å; V174-M181 PolarHBondContact O-N 2.81Å; Q176-M181 HydrophobicContact CB-CG 3.67Å; Q176-M181 HydrophobicContact CB-SD 3.78Å; Q176-M181 PolarHBondContact OE1-SD 2.87Å; M181-T223 WeakPolarHBondContact CE-O 3.36Å |
| 182 | Y | 97 | Very high | 96.4 | Very high | 32 Ų | 32 | 35.9 Ų | 35.9 | 13% | 0.125 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 164.8 | 176.2 | 60.3 | -93.1 | 0 | 0 | 0 | 109.8 | V174 I184 I221 T222 P226 | V174-Y182 HydrophobicContact CB-CE1 4.39Å; V174-Y182 HydrophobicContact CB-CE2 4.31Å; V174-Y182 HydrophobicContact CG1-CE1 4.31Å; V174-Y182 HydrophobicContact CG2-CD2 4.26Å; V174-Y182 HydrophobicContact CG2-CE2 3.76Å; V174-Y182 PolarHBondContact N-O 2.97Å; V174-Y182 VanDerWaalsContact N-O 3.09Å; Y182-I184 HydrophobicContact CD2-CG1 3.94Å; Y182-I184 HydrophobicContact CE2-CD1 3.88Å; Y182-I184 HydrophobicContact CE2-CG1 3.65Å; Y182-I221 VanDerWaalsContact OH-CG2 3.25Å; Y182-I221 WeakPolarHBondContact OH-CG2 3.3Å; Y182-T222 PolarHBondContact OH-N 3.1Å; Y182-T222 PolarHBondContact OH-O 2.75Å; Y182-P226 HydrophobicContact CE2-CB 4.4Å; Y182-P226 HydrophobicContact CE2-CG 4.38Å |
| 183 | E | 96.8 | Very high | 96.4 | Very high | 101 Ų | 101 | 36 Ų | 36 | 47% | 0.472 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 147.3 | 178.8 | -68.1 | -165.7 | 147.8 | 0 | 0 | 110.1 | V171 R173 V180 | V171-E183 HydrophobicContact CG1-CB 3.58Å; V171-E183 HydrophobicContact CG1-CG 3.82Å; R173-E183 HydrophobicContact CG-CG 4.26Å; R173-E183 IonicContact CZ-OE1 2.74Å; R173-E183 IonicContact NE-OE1 2.84Å; R173-E183 PolarHBondContact NE-OE1 3.37Å; R173-E183 IonicContact NH2-OE1 2.69Å; R173-E183 PolarHBondContact NH2-OE1 3.31Å; V180-E183 HydrophobicContact CG1-CG 4.04Å |
| 184 | I | 97.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121 | 177.4 | -45.9 | 166.6 | 0 | 0 | 0 | 108.3 | V171 L172 V174 Y182 I219 I221 P226 | V171-I184 CarbonylContact C-O 3.25Å; V171-I184 WeakPolarHBondContact CA-O 3.45Å; L172-I184 HydrophobicContact CB-CB 4.15Å; L172-I184 HydrophobicContact CB-CD1 4.34Å; L172-I184 PolarHBondContact N-O 3.13Å; L172-I184 PolarHBondContact O-N 3.04Å; V174-I184 HydrophobicContact CG2-CD1 3.68Å; V174-I184 HydrophobicContact CG2-CG1 4.21Å; Y182-I184 HydrophobicContact CD2-CG1 3.94Å; Y182-I184 HydrophobicContact CE2-CD1 3.88Å; Y182-I184 HydrophobicContact CE2-CG1 3.65Å; I184-I219 HydrophobicContact CD1-CG2 4.19Å; I184-I219 HydrophobicContact CG2-CD1 3.96Å; I184-I219 HydrophobicContact CG2-CG2 4.47Å; I184-I221 HydrophobicContact CD1-CD1 4.42Å; I184-I221 HydrophobicContact CD1-CG1 4.22Å; I184-P226 HydrophobicContact CB-CB 4.41Å; I184-P226 HydrophobicContact CB-CG 4.4Å; I184-P226 HydrophobicContact CD1-CB 3.87Å; I184-P226 HydrophobicContact CG1-CB 3.82Å; I184-P226 HydrophobicContact CG1-CG 3.96Å; I184-P226 HydrophobicContact CG2-CB 3.77Å; I184-P226 HydrophobicContact CG2-CG 3.87Å |
| 185 | E | 95.9 | Very high | 96.3 | Very high | 102 Ų | 102 | 37 Ų | 37 | 48% | 0.477 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.5 | 176.4 | -61.1 | 179.2 | -172.6 | 0 | 0 | 110.3 | H498 | E185-H498 HydrophobicContact CG-CB 4.3Å; E185-H498 WeakPolarHBondContact OE1-CB 3.4Å; E185-H498 IonicContact OE1-CG 3.44Å; E185-H498 IonicContact OE2-CD2 2.9Å; E185-H498 IonicContact OE2-CG 2.8Å |
| 186 | V | 96.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | trans | -127 | 151.9 | 174.9 | -70.7 | 0 | 0 | 0 | 0 | 110.3 | R170 L172 G188 P190 F209 I219 | R170-V186 VanDerWaalsContact C-CG2 3.45Å; R170-V186 HydrophobicContact CB-CG2 4.36Å; R170-V186 WeakPolarHBondContact CB-O 3.38Å; R170-V186 WeakPolarHBondContact O-CG2 3.35Å; R170-V186 PolarHBondContact O-N 3.45Å; L172-V186 HydrophobicContact CD1-CG1 4Å; L172-V186 HydrophobicContact CG-CG1 3.98Å; V186-G188 WeakPolarHBondContact CG2-O 3.16Å; V186-G188 PolarHBondContact O-N 2.93Å; V186-P190 HydrophobicContact CG2-CB 4.35Å; V186-P190 HydrophobicContact CG2-CG 4Å; V186-F209 HydrophobicContact CB-CD2 4.34Å; V186-F209 HydrophobicContact CB-CE2 3.87Å; V186-F209 HydrophobicContact CB-CZ 4.26Å; V186-F209 HydrophobicContact CG1-CD1 4.41Å; V186-F209 HydrophobicContact CG1-CD2 4Å; V186-F209 HydrophobicContact CG1-CE1 4.14Å; V186-F209 HydrophobicContact CG1-CE2 3.71Å; V186-F209 HydrophobicContact CG1-CG 4.34Å; V186-F209 HydrophobicContact CG1-CZ 3.79Å; V186-I219 HydrophobicContact CG1-CD1 4.02Å | ||
| 187 | P | 92.4 | Very high | 96.1 | Very high | 45 Ų | 45 | 34.8 Ų | 34.8 | 29% | 0.292 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -72.5 | -3.1 | -168.2 | 30.3 | -41 | 0 | 0 | 0 | 115.3 | K215 | P187-K215 HydrophobicContact CB-CD 3.57Å; P187-K215 HydrophobicContact CG-CB 4.32Å; P187-K215 HydrophobicContact CG-CD 3.4Å; P187-K215 VanDerWaalsContact CG-CD 3.4Å; P187-K215 PolarHBondContact O-NZ 3Å; P187-K215 VanDerWaalsContact O-NZ 3.08Å |
| 188 | G | 94.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -165.4 | 165.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V186 P190 T211 | V186-G188 WeakPolarHBondContact CG2-O 3.16Å; V186-G188 PolarHBondContact O-N 2.93Å; G188-P190 VanDerWaalsContact O-CD 3.25Å; G188-P190 WeakPolarHBondContact O-CD 3.3Å; G188-P190 VanDerWaalsContact O-N 3.15Å; G188-T211 WeakPolarHBondContact O-CG2 3.19Å |
| 189 | P | 96.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.039 | 21% | 0.211 | C | C | . | . | trans | -60.3 | 116.3 | -178.8 | -24 | 33.3 | 0 | 0 | 0 | 111.6 | R170 T191 T211 S212 | R170-P189 HydrophobicContact CG-CG 4.12Å; P189-T191 PolarHBondContact O-N 3.5Å; P189-T211 CarbonylContact O-C 3.49Å; P189-T211 VanDerWaalsContact O-CA 3.23Å; P189-T211 WeakPolarHBondContact O-CA 3.07Å; P189-T211 WeakPolarHBondContact O-CB 3.49Å; P189-S212 WeakPolarHBondContact CD-OG 3.38Å; P189-S212 PolarHBondContact O-N 2.57Å | ||
| 190 | P | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 129.1 | 179.7 | 28.4 | -34.5 | 0 | 0 | 0 | 110.5 | N148 A166 C167 L172 V186 G188 G210 | N148-P190 WeakPolarHBondContact CB-O 3.49Å; N148-P190 PolarHBondContact ND2-O 3.3Å; A166-P190 HydrophobicContact CB-CB 3.8Å; A166-P190 HydrophobicContact CB-CG 3.78Å; C167-P190 VanDerWaalsContact O-CD 3.23Å; C167-P190 WeakPolarHBondContact O-CD 3.25Å; C167-P190 WeakPolarHBondContact O-CG 3.43Å; L172-P190 HydrophobicContact CD2-CB 3.78Å; L172-P190 HydrophobicContact CD2-CG 3.7Å; V186-P190 HydrophobicContact CG2-CB 4.35Å; V186-P190 HydrophobicContact CG2-CG 4Å; G188-P190 VanDerWaalsContact O-CD 3.25Å; G188-P190 WeakPolarHBondContact O-CD 3.3Å; G188-P190 VanDerWaalsContact O-N 3.15Å; P190-G210 CarbonylContact C-O 3.59Å; P190-G210 WeakPolarHBondContact CA-O 3.2Å |
| 191 | T | 97.9 | Very high | 95.4 | Very high | 22 Ų | 22 | 29.4 Ų | 29.4 | 14% | 0.135 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -22.8 | -175.2 | 42.9 | 0 | 0 | 0 | 0 | 113.3 | Q18 P189 G210 I241 | Q18-T191 PolarHBondContact NE2-O 3.43Å; P189-T191 PolarHBondContact O-N 3.5Å; T191-G210 PolarHBondContact N-O 3.1Å; T191-G210 PolarHBondContact OG1-O 3.01Å; T191-I241 WeakPolarHBondContact CB-O 3.35Å; T191-I241 PolarHBondContact OG1-O 2.92Å |
| 192 | V | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 140.3 | 179 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | K19 F209 G210 I241 I244 | K19-V192 HydrophobicContact CD-CG2 3.82Å; V192-F209 WeakPolarHBondContact O-CA 3.39Å; V192-G210 PolarHBondContact N-O 3.32Å; V192-G210 PolarHBondContact O-N 2.88Å; V192-I241 HydrophobicContact CG1-CB 4.34Å; V192-I241 HydrophobicContact CG1-CG2 3.74Å; V192-I244 HydrophobicContact CG1-CD1 3.7Å; V192-I244 HydrophobicContact CG1-CG1 3.96Å |
| 193 | L | 98.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.4 | 172.1 | -59.7 | -179 | 0 | 0 | 0 | 110.4 | K19 D149 I151 V164 A166 L172 L207 L208 F209 | K19-L193 PolarHBondContact NZ-O 2.83Å; D149-L193 HydrophobicContact CB-CG 4.31Å; D149-L193 PolarHBondContact OD2-N 2.9Å; I151-L193 HydrophobicContact CB-CB 4.18Å; I151-L193 HydrophobicContact CB-CD1 4.47Å; I151-L193 HydrophobicContact CD1-CB 4.44Å; I151-L193 HydrophobicContact CG2-CB 3.89Å; I151-L193 HydrophobicContact CG2-CD1 3.77Å; I151-L193 HydrophobicContact CG2-CG 4.49Å; V164-L193 HydrophobicContact CG1-CD1 4.33Å; A166-L193 HydrophobicContact CB-CD1 3.8Å; A166-L193 HydrophobicContact CB-CD2 4.13Å; A166-L193 HydrophobicContact CB-CG 3.86Å; L172-L193 HydrophobicContact CD2-CD2 3.92Å; L193-L207 HydrophobicContact CB-CD1 4.33Å; L193-L207 HydrophobicContact CD1-CD2 4.5Å; L193-L207 HydrophobicContact CD2-CD2 4.15Å; L193-L208 WeakPolarHBondContact CA-O 3.28Å; L193-F209 HydrophobicContact CD2-CB 3.66Å |
| 194 | A | 97.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 12% | 0.116 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 145.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L207 L208 I244 | A194-L207 WeakPolarHBondContact O-CD1 3.3Å; A194-L208 HydrophobicContact CB-CB 4.43Å; A194-L208 PolarHBondContact N-O 3.03Å; A194-L208 WeakPolarHBondContact O-CB 3.36Å; A194-L208 PolarHBondContact O-N 3.33Å; A194-I244 HydrophobicContact CB-CB 4.15Å; A194-I244 HydrophobicContact CB-CG2 4.09Å |
| 195 | L | 96.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 30 Ų | 30 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 133.1 | 170.5 | -66.4 | 177.2 | 0 | 0 | 0 | 109.2 | I151 L153 N197 G198 | I151-L195 HydrophobicContact CD1-CD2 4.2Å; I151-L195 HydrophobicContact CD1-CG 3.83Å; I151-L195 HydrophobicContact CG1-CG 4.37Å; L153-L195 HydrophobicContact CD2-CD2 4.03Å; L195-N197 PolarHBondContact O-N 2.85Å; L195-G198 PolarHBondContact O-N 3.37Å |
| 196 | H | 94.5 | Very high | 94.5 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 12% | 0.116 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -58.6 | 132.5 | 174.2 | -175.6 | 57.9 | 0 | 0 | 0 | 110.1 | G198 N199 G200 G201 D206 L208 L218 F271 | H196-G198 PolarHBondContact O-N 3.28Å; H196-N199 PolarHBondContact O-N 3.25Å; H196-N199 PolarHBondContact O-OD1 2.95Å; H196-G200 PolarHBondContact O-N 2.84Å; H196-G201 PolarHBondContact O-N 2.82Å; H196-D206 HydrophobicContact CB-CB 3.74Å; H196-D206 PolarHBondContact N-O 3.16Å; H196-L208 HydrophobicContact CB-CD1 4.27Å; H196-L208 HydrophobicContact CB-CG 4.26Å; H196-L218 HydrophobicContact CB-CD1 3.88Å; H196-F271 AromaticContact CE1-CZ 3.83Å |
| 197 | N | 91.9 | Very high | 94.6 | Very high | 35 Ų | 35 | 25.2 Ų | 25.2 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | 58.2 | 10 | -173.9 | -65.1 | -24.2 | 0 | 0 | 0 | 115.7 | L195 N199 K255 | L195-N197 PolarHBondContact O-N 2.85Å; N197-N199 WeakPolarHBondContact CB-OD1 3.46Å; N197-N199 PolarHBondContact O-N 3.38Å; N197-K255 HydrophobicContact CB-CD 4.08Å; N197-K255 PolarHBondContact O-NZ 2.72Å |
| 198 | G | 90.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 23 Ų | 23 | 57% | 0.567 | 14% | 0.141 | S | C | * | . | G | 310 helix | trans | 76.2 | -0.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | L195 H196 | L195-G198 PolarHBondContact O-N 3.37Å; H196-G198 PolarHBondContact O-N 3.28Å |
| 199 | N | 91.3 | Very high | 95.1 | Very high | 69 Ų | 69 | 23.1 Ų | 23.1 | 37% | 0.369 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | 12 | -175.4 | 69.7 | -6.5 | 0 | 0 | 0 | 113.7 | P154 R157 H196 N197 G201 | P154-N199 WeakPolarHBondContact CG-O 3.08Å; R157-N199 WeakPolarHBondContact CD-O 3.34Å; R157-N199 PolarHBondContact NH1-ND2 2.95Å; R157-N199 PolarHBondContact NH1-O 3.41Å; H196-N199 PolarHBondContact O-N 3.25Å; H196-N199 PolarHBondContact O-OD1 2.95Å; N197-N199 WeakPolarHBondContact CB-OD1 3.46Å; N197-N199 PolarHBondContact O-N 3.38Å; N199-G201 PolarHBondContact OD1-N 3.24Å |
| 200 | G | 92.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 25.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H196 G204 E205 D206 | H196-G200 PolarHBondContact O-N 2.84Å; G200-G204 CarbonylContact O-C 3.58Å; G200-G204 WeakPolarHBondContact O-CA 3.19Å; G200-G204 PolarHBondContact O-N 3.3Å; G200-E205 PolarHBondContact O-N 3.43Å; G200-E205 VanDerWaalsContact O-N 3.08Å; G200-D206 VanDerWaalsContact O-CB 3.32Å; G200-D206 WeakPolarHBondContact O-CB 3.37Å; G200-D206 PolarHBondContact O-N 3.1Å |
| 201 | G | 92.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | -166.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | R157 H196 N199 S203 G204 | R157-G201 PolarHBondContact NH1-O 3.3Å; R157-G201 PolarHBondContact NH2-O 3.03Å; H196-G201 PolarHBondContact O-N 2.82Å; N199-G201 PolarHBondContact OD1-N 3.24Å; G201-S203 VanDerWaalsContact C-N 3.3Å; G201-S203 PolarHBondContact O-N 2.91Å; G201-G204 PolarHBondContact O-N 2.92Å |
| 202 | D | 89.7 | Confident | 95 | Very high | 153 Ų | 153 | 22.8 Ų | 22.8 | 82% | 0.818 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -25.8 | -175.4 | -65.5 | -30.7 | 0 | 0 | 0 | 113.9 | R157 | R157-D202 PolarHBondContact NH2-O 3.22Š|
| 203 | S | 89.8 | Confident | 94.7 | Very high | 41 Ų | 41 | 25.3 Ų | 25.3 | 29% | 0.287 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -21.2 | 176 | 58 | 0 | 0 | 0 | 0 | 113.1 | L158 G201 E205 | L158-S203 WeakPolarHBondContact CD2-O 3.5Å; G201-S203 VanDerWaalsContact C-N 3.3Å; G201-S203 PolarHBondContact O-N 2.91Å; S203-E205 PolarHBondContact O-N 3.49Å; S203-E205 PolarHBondContact OG-N 3.33Å; S203-E205 VanDerWaalsContact OG-N 3.13Å |
| 204 | G | 93.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 76.7 | 1.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P154 G200 G201 | P154-G204 WeakPolarHBondContact CD-O 3.47Å; P154-G204 WeakPolarHBondContact CG-O 3.27Å; G200-G204 CarbonylContact O-C 3.58Å; G200-G204 WeakPolarHBondContact O-CA 3.19Å; G200-G204 PolarHBondContact O-N 3.3Å; G201-G204 PolarHBondContact O-N 2.92Å |
| 205 | E | 95.4 | Very high | 94.5 | Very high | 31 Ų | 31 | 26.8 Ų | 26.8 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | trans | -109.5 | 2.4 | -174.7 | -62.6 | -170.5 | 143.6 | 0 | 0 | 113.4 | L158 R160 G200 S203 Q220 I221 | L158-E205 HydrophobicContact CD1-CG 3.83Å; L158-E205 HydrophobicContact CD2-CG 3.53Å; L158-E205 HydrophobicContact CG-CG 4.34Å; R160-E205 IonicContact NH2-OE1 2.74Å; R160-E205 PolarHBondContact NH2-OE1 2.93Å; G200-E205 PolarHBondContact O-N 3.43Å; G200-E205 VanDerWaalsContact O-N 3.08Å; S203-E205 PolarHBondContact O-N 3.49Å; S203-E205 PolarHBondContact OG-N 3.33Å; S203-E205 VanDerWaalsContact OG-N 3.13Å; E205-Q220 HydrophobicContact CB-CG 3.85Å; E205-Q220 WeakPolarHBondContact O-CA 3.39Å; E205-Q220 PolarHBondContact OE2-NE2 2.86Å; E205-I221 WeakPolarHBondContact CB-O 3.46Å; E205-I221 PolarHBondContact O-N 3.4Å | ||
| 206 | D | 96.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.2 | -173.6 | -68.6 | -24.9 | 0 | 0 | 0 | 112.1 | H196 G200 L218 Q220 K229 | H196-D206 HydrophobicContact CB-CB 3.74Å; H196-D206 PolarHBondContact N-O 3.16Å; G200-D206 VanDerWaalsContact O-CB 3.32Å; G200-D206 WeakPolarHBondContact O-CB 3.37Å; G200-D206 PolarHBondContact O-N 3.1Å; D206-L218 HydrophobicContact CB-CD1 4.16Å; D206-Q220 WeakPolarHBondContact OD1-CB 3.2Å; D206-Q220 WeakPolarHBondContact OD1-CG 3.29Å; D206-K229 WeakPolarHBondContact OD1-CE 3.38Å; D206-K229 IonicContact OD1-NZ 3.53Å; D206-K229 PolarHBondContact OD1-NZ 3.41Å; D206-K229 IonicContact OD2-NZ 3.84Å; D206-K229 PolarHBondContact OD2-NZ 2.8Å |
| 207 | L | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.8 | -179.1 | -176.4 | 71.1 | 0 | 0 | 0 | 111.3 | I151 V164 L172 L193 A194 I219 I221 | I151-L207 HydrophobicContact CD1-CD1 4.28Å; I151-L207 HydrophobicContact CG2-CD1 3.61Å; V164-L207 HydrophobicContact CB-CD2 4.25Å; V164-L207 HydrophobicContact CG1-CD2 3.8Å; V164-L207 HydrophobicContact CG2-CD2 4.39Å; L172-L207 HydrophobicContact CD1-CD2 4.3Å; L193-L207 HydrophobicContact CB-CD1 4.33Å; L193-L207 HydrophobicContact CD1-CD2 4.5Å; L193-L207 HydrophobicContact CD2-CD2 4.15Å; A194-L207 WeakPolarHBondContact O-CD1 3.3Å; L207-I219 PolarHBondContact N-O 2.88Å; L207-I219 PolarHBondContact O-N 2.85Å; L207-I221 HydrophobicContact CB-CD1 3.87Å; L207-I221 HydrophobicContact CB-CG1 4.33Å; L207-I221 HydrophobicContact CD2-CD1 3.52Å; L207-I221 HydrophobicContact CG-CD1 4.3Å |
| 208 | L | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 136.3 | 167.7 | -68.7 | 162.9 | 0 | 0 | 0 | 109.8 | L193 A194 H196 G217 L218 W230 I244 L257 | L193-L208 WeakPolarHBondContact CA-O 3.28Å; A194-L208 HydrophobicContact CB-CB 4.43Å; A194-L208 PolarHBondContact N-O 3.03Å; A194-L208 WeakPolarHBondContact O-CB 3.36Å; A194-L208 PolarHBondContact O-N 3.33Å; H196-L208 HydrophobicContact CB-CD1 4.27Å; H196-L208 HydrophobicContact CB-CG 4.26Å; L208-G217 WeakPolarHBondContact CA-O 3.39Å; L208-L218 HydrophobicContact CD2-CB 4.08Å; L208-L218 HydrophobicContact CD2-CD1 3.59Å; L208-L218 HydrophobicContact CD2-CG 4.42Å; L208-L218 HydrophobicContact CG-CD1 3.81Å; L208-W230 HydrophobicContact CD2-CH2 3.53Å; L208-W230 HydrophobicContact CD2-CZ2 3.79Å; L208-I244 HydrophobicContact CD1-CG2 4.39Å; L208-L257 HydrophobicContact CD1-CD1 3.63Å; L208-L257 HydrophobicContact CD2-CD2 4.3Å |
| 209 | F | 98.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.5 | 171.8 | 74.3 | -84.9 | 0 | 0 | 0 | 110.7 | L172 V186 V192 L193 T211 L216 G217 I219 | L172-F209 HydrophobicContact CD1-CB 4.33Å; L172-F209 HydrophobicContact CD1-CG 4.44Å; V186-F209 HydrophobicContact CB-CD2 4.34Å; V186-F209 HydrophobicContact CB-CE2 3.87Å; V186-F209 HydrophobicContact CB-CZ 4.26Å; V186-F209 HydrophobicContact CG1-CD1 4.41Å; V186-F209 HydrophobicContact CG1-CD2 4Å; V186-F209 HydrophobicContact CG1-CE1 4.14Å; V186-F209 HydrophobicContact CG1-CE2 3.71Å; V186-F209 HydrophobicContact CG1-CG 4.34Å; V186-F209 HydrophobicContact CG1-CZ 3.79Å; V192-F209 WeakPolarHBondContact O-CA 3.39Å; L193-F209 HydrophobicContact CD2-CB 3.66Å; F209-T211 HydrophobicContact CD2-CG2 3.82Å; F209-T211 HydrophobicContact CE2-CG2 3.73Å; F209-L216 WeakPolarHBondContact O-CA 3.4Å; F209-L216 WeakPolarHBondContact O-CD1 3.31Å; F209-G217 VanDerWaalsContact CD1-O 3.26Å; F209-G217 WeakPolarHBondContact CD1-O 3.35Å; F209-G217 PolarHBondContact N-O 2.88Å; F209-G217 PolarHBondContact O-N 2.81Å; F209-I219 HydrophobicContact CD1-CD1 3.58Å; F209-I219 HydrophobicContact CD1-CG1 4.04Å; F209-I219 HydrophobicContact CE1-CD1 3.33Å; F209-I219 HydrophobicContact CE1-CG1 3.72Å; F209-I219 HydrophobicContact CZ-CD1 4.23Å |
| 210 | G | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 144.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P190 T191 V192 K215 | P190-G210 CarbonylContact C-O 3.59Å; P190-G210 WeakPolarHBondContact CA-O 3.2Å; T191-G210 PolarHBondContact N-O 3.1Å; T191-G210 PolarHBondContact OG1-O 3.01Å; V192-G210 PolarHBondContact N-O 3.32Å; V192-G210 PolarHBondContact O-N 2.88Å; G210-K215 WeakPolarHBondContact CA-O 3.39Å |
| 211 | T | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 160.7 | -176.3 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | G188 P189 F209 D213 G214 K215 I241 | G188-T211 WeakPolarHBondContact O-CG2 3.19Å; P189-T211 CarbonylContact O-C 3.49Å; P189-T211 VanDerWaalsContact O-CA 3.23Å; P189-T211 WeakPolarHBondContact O-CA 3.07Å; P189-T211 WeakPolarHBondContact O-CB 3.49Å; F209-T211 HydrophobicContact CD2-CG2 3.82Å; F209-T211 HydrophobicContact CE2-CG2 3.73Å; T211-D213 WeakPolarHBondContact CB-OD1 3.44Å; T211-D213 PolarHBondContact O-N 3.18Å; T211-D213 PolarHBondContact OG1-OD1 3.39Å; T211-G214 PolarHBondContact O-N 3.43Å; T211-K215 HydrophobicContact CG2-CB 4.49Å; T211-K215 PolarHBondContact N-O 2.97Å; T211-K215 WeakPolarHBondContact OG1-CA 3.45Å; T211-K215 WeakPolarHBondContact OG1-CB 3.4Å; T211-K215 PolarHBondContact OG1-N 3.17Å; T211-K215 PolarHBondContact OG1-O 3.31Å; T211-I241 PolarHBondContact O-N 2.65Å |
| 212 | S | 95.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 20 Ų | 20 | 15% | 0.147 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.7 | 179.9 | 64.9 | 0 | 0 | 0 | 0 | 114.5 | P189 G240 K384 | P189-S212 WeakPolarHBondContact CD-OG 3.38Å; P189-S212 PolarHBondContact O-N 2.57Å; S212-G240 WeakPolarHBondContact O-CA 3.35Å; S212-K384 PolarHBondContact O-NZ 3.44Å |
| 213 | D | 92.2 | Very high | 95.7 | Very high | 52 Ų | 52 | 16.9 Ų | 16.9 | 28% | 0.278 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 10.4 | 175 | 66.9 | -21.5 | 0 | 0 | 0 | 112.6 | T211 K215 N234 | T211-D213 WeakPolarHBondContact CB-OD1 3.44Å; T211-D213 PolarHBondContact O-N 3.18Å; T211-D213 PolarHBondContact OG1-OD1 3.39Å; D213-K215 IonicContact OD2-NZ 3.6Å; D213-K215 PolarHBondContact OD2-NZ 3.43Å; D213-N234 PolarHBondContact O-ND2 2.96Å |
| 214 | G | 94.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 90.5 | 14.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | T211 G239 R261 | T211-G214 PolarHBondContact O-N 3.43Å; G214-G239 WeakPolarHBondContact CA-O 3.49Å; G214-R261 PolarHBondContact O-NH1 3.36Å |
| 215 | K | 96.3 | Very high | 95.6 | Very high | 45 Ų | 45 | 25.1 Ų | 25.1 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | trans | -89.4 | 148.6 | 175.3 | -56.6 | 175.1 | -178.7 | 120.4 | 0 | 110.5 | P187 G210 T211 D213 I232 I241 | P187-K215 HydrophobicContact CB-CD 3.57Å; P187-K215 HydrophobicContact CG-CB 4.32Å; P187-K215 HydrophobicContact CG-CD 3.4Å; P187-K215 VanDerWaalsContact CG-CD 3.4Å; P187-K215 PolarHBondContact O-NZ 3Å; P187-K215 VanDerWaalsContact O-NZ 3.08Å; G210-K215 WeakPolarHBondContact CA-O 3.39Å; T211-K215 HydrophobicContact CG2-CB 4.49Å; T211-K215 PolarHBondContact N-O 2.97Å; T211-K215 WeakPolarHBondContact OG1-CA 3.45Å; T211-K215 WeakPolarHBondContact OG1-CB 3.4Å; T211-K215 PolarHBondContact OG1-N 3.17Å; T211-K215 PolarHBondContact OG1-O 3.31Å; D213-K215 IonicContact OD2-NZ 3.6Å; D213-K215 PolarHBondContact OD2-NZ 3.43Å; K215-I232 WeakPolarHBondContact CA-O 3.5Å; K215-I241 VanDerWaalsContact O-CD1 3.24Å; K215-I241 WeakPolarHBondContact O-CD1 3.42Å | ||
| 216 | L | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.4 | 178.9 | -175.2 | 71.1 | 0 | 0 | 0 | 108.3 | F209 W230 E231 I232 I241 I244 L257 V259 | F209-L216 WeakPolarHBondContact O-CA 3.4Å; F209-L216 WeakPolarHBondContact O-CD1 3.31Å; L216-W230 HydrophobicContact CD2-CH2 4.37Å; L216-W230 HydrophobicContact CD2-CZ3 4.3Å; L216-W230 HydrophobicContact CG-CH2 4.43Å; L216-W230 HydrophobicContact CG-CZ3 4.15Å; L216-E231 CarbonylContact O-C 3.56Å; L216-E231 WeakPolarHBondContact O-CA 3.29Å; L216-I232 HydrophobicContact CB-CB 4.21Å; L216-I232 HydrophobicContact CB-CD1 4.48Å; L216-I232 HydrophobicContact CD2-CD1 3.71Å; L216-I232 PolarHBondContact N-O 2.95Å; L216-I232 VanDerWaalsContact N-O 3.14Å; L216-I232 PolarHBondContact O-N 3.43Å; L216-I241 HydrophobicContact CB-CD1 3.76Å; L216-I241 HydrophobicContact CD1-CD1 3.95Å; L216-I241 HydrophobicContact CG-CD1 4.41Å; L216-I244 HydrophobicContact CD1-CD1 3.43Å; L216-I244 VanDerWaalsContact CD1-CD1 3.43Å; L216-I244 HydrophobicContact CD1-CG1 4.18Å; L216-L257 HydrophobicContact CD2-CD2 3.33Å; L216-L257 HydrophobicContact CD2-CG 4.26Å; L216-L257 HydrophobicContact CG-CD2 4.31Å; L216-V259 HydrophobicContact CD2-CG2 3.95Å |
| 217 | G | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 161.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L208 F209 W230 | L208-G217 WeakPolarHBondContact CA-O 3.39Å; F209-G217 VanDerWaalsContact CD1-O 3.26Å; F209-G217 WeakPolarHBondContact CD1-O 3.35Å; F209-G217 PolarHBondContact N-O 2.88Å; F209-G217 PolarHBondContact O-N 2.81Å; G217-W230 WeakPolarHBondContact CA-O 3.16Å |
| 218 | L | 97.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120.6 | 176.2 | -176.1 | 69.5 | 0 | 0 | 0 | 109.7 | H196 D206 L208 K229 W230 | H196-L218 HydrophobicContact CB-CD1 3.88Å; D206-L218 HydrophobicContact CB-CD1 4.16Å; L208-L218 HydrophobicContact CD2-CB 4.08Å; L208-L218 HydrophobicContact CD2-CD1 3.59Å; L208-L218 HydrophobicContact CD2-CG 4.42Å; L208-L218 HydrophobicContact CG-CD1 3.81Å; L218-K229 HydrophobicContact CB-CB 4.24Å; L218-K229 HydrophobicContact CD2-CB 3.96Å; L218-K229 HydrophobicContact CD2-CD 3.57Å; L218-K229 HydrophobicContact CD2-CG 4.36Å; L218-K229 HydrophobicContact CG-CB 4.14Å; L218-K229 HydrophobicContact CG-CD 4.05Å; L218-K229 PolarHBondContact O-N 2.84Å; L218-W230 HydrophobicContact CB-CD2 3.75Å; L218-W230 HydrophobicContact CB-CE3 4.24Å; L218-W230 HydrophobicContact CB-CG 4.26Å; L218-W230 HydrophobicContact CB-CH2 4.08Å; L218-W230 HydrophobicContact CB-CZ2 3.58Å; L218-W230 HydrophobicContact CB-CZ3 4.38Å; L218-W230 HydrophobicContact CD2-CZ2 4.09Å; L218-W230 VanDerWaalsContact CD2-NE1 3.33Å; L218-W230 HydrophobicContact CG-CZ2 4.34Å; L218-W230 PolarHBondContact N-O 3.09Å |
| 219 | I | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.6 | 178.8 | -60.7 | 166.1 | 0 | 0 | 0 | 108.5 | L172 I184 V186 L207 F209 I221 P226 | L172-I219 HydrophobicContact CD1-CD1 4.01Å; I184-I219 HydrophobicContact CD1-CG2 4.19Å; I184-I219 HydrophobicContact CG2-CD1 3.96Å; I184-I219 HydrophobicContact CG2-CG2 4.47Å; V186-I219 HydrophobicContact CG1-CD1 4.02Å; L207-I219 PolarHBondContact N-O 2.88Å; L207-I219 PolarHBondContact O-N 2.85Å; F209-I219 HydrophobicContact CD1-CD1 3.58Å; F209-I219 HydrophobicContact CD1-CG1 4.04Å; F209-I219 HydrophobicContact CE1-CD1 3.33Å; F209-I219 HydrophobicContact CE1-CG1 3.72Å; F209-I219 HydrophobicContact CZ-CD1 4.23Å; I219-I221 HydrophobicContact CG2-CG1 4.43Å; I219-P226 HydrophobicContact CG2-CB 3.75Å |
| 220 | Q | 97.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.8 | 168.7 | -174.7 | -179.5 | -8.8 | 0 | 0 | 109.7 | E205 D206 T222 P226 I227 | E205-Q220 HydrophobicContact CB-CG 3.85Å; E205-Q220 WeakPolarHBondContact O-CA 3.39Å; E205-Q220 PolarHBondContact OE2-NE2 2.86Å; D206-Q220 WeakPolarHBondContact OD1-CB 3.2Å; D206-Q220 WeakPolarHBondContact OD1-CG 3.29Å; Q220-T222 HydrophobicContact CG-CG2 4.41Å; Q220-P226 WeakPolarHBondContact O-CA 3.16Å; Q220-I227 HydrophobicContact CB-CB 4.23Å; Q220-I227 PolarHBondContact N-O 3.47Å; Q220-I227 PolarHBondContact O-N 3.35Å |
| 221 | I | 96.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 95.9 | -176.2 | -60.7 | -178 | 0 | 0 | 0 | 109 | L153 V164 V174 Y182 I184 E205 L207 I219 | L153-I221 HydrophobicContact CD1-CB 4.03Å; L153-I221 HydrophobicContact CD1-CG2 4Å; V164-I221 HydrophobicContact CB-CD1 4.41Å; V164-I221 HydrophobicContact CG1-CD1 4.11Å; V164-I221 HydrophobicContact CG2-CD1 3.5Å; V174-I221 HydrophobicContact CG1-CG2 3.78Å; V174-I221 HydrophobicContact CG2-CD1 4.36Å; V174-I221 HydrophobicContact CG2-CG2 3.92Å; Y182-I221 VanDerWaalsContact OH-CG2 3.25Å; Y182-I221 WeakPolarHBondContact OH-CG2 3.3Å; I184-I221 HydrophobicContact CD1-CD1 4.42Å; I184-I221 HydrophobicContact CD1-CG1 4.22Å; E205-I221 WeakPolarHBondContact CB-O 3.46Å; E205-I221 PolarHBondContact O-N 3.4Å; L207-I221 HydrophobicContact CB-CD1 3.87Å; L207-I221 HydrophobicContact CB-CG1 4.33Å; L207-I221 HydrophobicContact CD2-CD1 3.52Å; L207-I221 HydrophobicContact CG-CD1 4.3Å; I219-I221 HydrophobicContact CG2-CG1 4.43Å |
| 222 | T | 93.8 | Very high | 95 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | trans | -84.1 | -175.9 | 178.7 | 78.9 | 0 | 0 | 0 | 0 | 111.7 | Y182 Q220 S224 K225 I227 | Y182-T222 PolarHBondContact OH-N 3.1Å; Y182-T222 PolarHBondContact OH-O 2.75Å; Q220-T222 HydrophobicContact CG-CG2 4.41Å; T222-S224 VanDerWaalsContact C-N 3.28Å; T222-S224 PolarHBondContact O-N 2.78Å; T222-S224 PolarHBondContact OG1-N 3.04Å; T222-K225 WeakPolarHBondContact CB-O 3.16Å; T222-K225 PolarHBondContact N-O 2.89Å; T222-K225 PolarHBondContact OG1-N 2.91Å; T222-K225 PolarHBondContact OG1-O 3.38Å; T222-I227 HydrophobicContact CG2-CD1 3.77Å; T222-I227 HydrophobicContact CG2-CG1 4.11Å | ||
| 223 | T | 88.5 | Confident | 94.9 | Very high | 86 Ų | 86 | 52.6 Ų | 52.6 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -62.7 | -28.5 | 175.6 | 48.1 | 0 | 0 | 0 | 0 | 114.7 | M181 | M181-T223 WeakPolarHBondContact CE-O 3.36Š|
| 224 | S | 88.1 | Confident | 94.7 | Very high | 84 Ų | 84 | 51.4 Ų | 51.4 | 59% | 0.587 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -135.1 | -19.5 | -168.7 | 63.1 | 0 | 0 | 0 | 0 | 114.9 | T222 | T222-S224 VanDerWaalsContact C-N 3.28Å; T222-S224 PolarHBondContact O-N 2.78Å; T222-S224 PolarHBondContact OG1-N 3.04Å |
| 225 | K | 93.4 | Very high | 94.3 | Very high | 131 Ų | 131 | 59.4 Ų | 59.4 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | trans | -152.5 | 150.7 | -179 | 61.6 | 175.5 | -179.2 | 175.8 | 0 | 112.5 | T222 | T222-K225 WeakPolarHBondContact CB-O 3.16Å; T222-K225 PolarHBondContact N-O 2.89Å; T222-K225 PolarHBondContact OG1-N 2.91Å; T222-K225 PolarHBondContact OG1-O 3.38Å | ||
| 226 | P | 96.8 | Very high | 93.7 | Very high | 37 Ų | 37 | 63.7 Ų | 63.7 | 24% | 0.24 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 151.9 | 169.1 | 31.7 | -33.8 | 0 | 0 | 0 | 111.2 | Y182 I184 I219 Q220 | Y182-P226 HydrophobicContact CE2-CB 4.4Å; Y182-P226 HydrophobicContact CE2-CG 4.38Å; I184-P226 HydrophobicContact CB-CB 4.41Å; I184-P226 HydrophobicContact CB-CG 4.4Å; I184-P226 HydrophobicContact CD1-CB 3.87Å; I184-P226 HydrophobicContact CG1-CB 3.82Å; I184-P226 HydrophobicContact CG1-CG 3.96Å; I184-P226 HydrophobicContact CG2-CB 3.77Å; I184-P226 HydrophobicContact CG2-CG 3.87Å; I219-P226 HydrophobicContact CG2-CB 3.75Å; Q220-P226 WeakPolarHBondContact O-CA 3.16Å |
| 227 | I | 96.9 | Very high | 93.2 | Very high | 73 Ų | 73 | 69.2 Ų | 69.2 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 111 | 165.3 | -55.8 | 172.6 | 0 | 0 | 0 | 107.2 | Q220 T222 K229 | Q220-I227 HydrophobicContact CB-CB 4.23Å; Q220-I227 PolarHBondContact N-O 3.47Å; Q220-I227 PolarHBondContact O-N 3.35Å; T222-I227 HydrophobicContact CG2-CD1 3.77Å; T222-I227 HydrophobicContact CG2-CG1 4.11Å; I227-K229 PolarHBondContact O-N 2.91Å |
| 228 | H | 95.8 | Very high | 92.7 | Very high | 105 Ų | 105 | 70.6 Ų | 70.6 | 49% | 0.486 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 120.1 | 175.3 | -66.1 | -108.3 | 0 | 0 | 0 | 108.5 | ||
| 229 | K | 95.3 | Very high | 92.4 | Very high | 95 Ų | 95 | 70.9 Ų | 70.9 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -54.6 | 179.6 | -73.7 | -176.5 | 166.9 | 176.9 | 0 | 110.9 | D206 L218 I227 | D206-K229 WeakPolarHBondContact OD1-CE 3.38Å; D206-K229 IonicContact OD1-NZ 3.53Å; D206-K229 PolarHBondContact OD1-NZ 3.41Å; D206-K229 IonicContact OD2-NZ 3.84Å; D206-K229 PolarHBondContact OD2-NZ 2.8Å; L218-K229 HydrophobicContact CB-CB 4.24Å; L218-K229 HydrophobicContact CD2-CB 3.96Å; L218-K229 HydrophobicContact CD2-CD 3.57Å; L218-K229 HydrophobicContact CD2-CG 4.36Å; L218-K229 HydrophobicContact CG-CB 4.14Å; L218-K229 HydrophobicContact CG-CD 4.05Å; L218-K229 PolarHBondContact O-N 2.84Å; I227-K229 PolarHBondContact O-N 2.91Å |
| 230 | W | 95.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 70.9 Ų | 70.9 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 163.3 | 177.2 | 51.6 | -108 | 0 | 0 | 0 | 111.2 | L208 L216 G217 L218 I232 L257 F271 P277 | L208-W230 HydrophobicContact CD2-CH2 3.53Å; L208-W230 HydrophobicContact CD2-CZ2 3.79Å; L216-W230 HydrophobicContact CD2-CH2 4.37Å; L216-W230 HydrophobicContact CD2-CZ3 4.3Å; L216-W230 HydrophobicContact CG-CH2 4.43Å; L216-W230 HydrophobicContact CG-CZ3 4.15Å; G217-W230 WeakPolarHBondContact CA-O 3.16Å; L218-W230 HydrophobicContact CB-CD2 3.75Å; L218-W230 HydrophobicContact CB-CE3 4.24Å; L218-W230 HydrophobicContact CB-CG 4.26Å; L218-W230 HydrophobicContact CB-CH2 4.08Å; L218-W230 HydrophobicContact CB-CZ2 3.58Å; L218-W230 HydrophobicContact CB-CZ3 4.38Å; L218-W230 HydrophobicContact CD2-CZ2 4.09Å; L218-W230 VanDerWaalsContact CD2-NE1 3.33Å; L218-W230 HydrophobicContact CG-CZ2 4.34Å; L218-W230 PolarHBondContact N-O 3.09Å; W230-I232 HydrophobicContact CE3-CG1 4.06Å; W230-I232 HydrophobicContact CZ3-CD1 4.08Å; W230-I232 HydrophobicContact CZ3-CG1 3.86Å; W230-L257 HydrophobicContact CH2-CD2 3.82Å; W230-F271 AromaticContact CZ2-CE1 3.76Å; W230-F271 HydrophobicContact CZ2-CE1 3.76Å; W230-F271 HydrophobicContact CZ2-CZ 4.23Å; W230-P277 HydrophobicContact CD2-CG 3.95Å; W230-P277 HydrophobicContact CE3-CG 3.8Å; W230-P277 HydrophobicContact CH2-CG 4.28Å; W230-P277 HydrophobicContact CZ2-CG 4.39Å; W230-P277 HydrophobicContact CZ3-CG 3.99Å |
| 231 | E | 95.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 69.1 Ų | 69.1 | 37% | 0.369 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 132.6 | 175.7 | -176.6 | -176.1 | 124.1 | 0 | 0 | 109.6 | L216 | L216-E231 CarbonylContact O-C 3.56Å; L216-E231 WeakPolarHBondContact O-CA 3.29Å |
| 232 | I | 95.1 | Very high | 92.4 | Very high | 27 Ų | 27 | 70.7 Ų | 70.7 | 14% | 0.138 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 114.8 | 169.3 | -49.1 | -179.7 | 0 | 0 | 0 | 108.1 | K215 L216 W230 Y269 P277 | K215-I232 WeakPolarHBondContact CA-O 3.5Å; L216-I232 HydrophobicContact CB-CB 4.21Å; L216-I232 HydrophobicContact CB-CD1 4.48Å; L216-I232 HydrophobicContact CD2-CD1 3.71Å; L216-I232 PolarHBondContact N-O 2.95Å; L216-I232 VanDerWaalsContact N-O 3.14Å; L216-I232 PolarHBondContact O-N 3.43Å; W230-I232 HydrophobicContact CE3-CG1 4.06Å; W230-I232 HydrophobicContact CZ3-CD1 4.08Å; W230-I232 HydrophobicContact CZ3-CG1 3.86Å; I232-Y269 HydrophobicContact CD1-CD1 3.78Å; I232-Y269 HydrophobicContact CD1-CE1 3.75Å; I232-Y269 HydrophobicContact CD1-CE2 4.5Å; I232-Y269 HydrophobicContact CD1-CG 4.2Å; I232-Y269 HydrophobicContact CG2-CE1 4.35Å; I232-P277 HydrophobicContact CD1-CB 3.65Å; I232-P277 HydrophobicContact CD1-CG 3.43Å; I232-P277 VanDerWaalsContact CD1-CG 3.43Å; I232-P277 HydrophobicContact CG1-CB 4.32Å; I232-P277 HydrophobicContact CG1-CG 3.53Å |
| 233 | R | 91.3 | Very high | 92.7 | Very high | 183 Ų | 183 | 69.7 Ų | 69.7 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | trans | -78.4 | 155.4 | 175.4 | -64.8 | -179.1 | 179.1 | 173.6 | 2.2 | 111 | E235 | R233-E235 HydrophobicContact CB-CG 4.41Å; R233-E235 PolarHBondContact O-N 3.18Å | ||
| 234 | N | 88.8 | Confident | 93.1 | Very high | 28 Ų | 28 | 66.3 Ų | 66.3 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | trans | -92.3 | 59.9 | -178.8 | -169.5 | 15.3 | 0 | 0 | 0 | 112.8 | D213 K236 K237 R238 | D213-N234 PolarHBondContact O-ND2 2.96Å; N234-K236 VanDerWaalsContact C-N 3.27Å; N234-K236 PolarHBondContact O-N 3.09Å; N234-K237 PolarHBondContact O-N 3.39Å; N234-K237 PolarHBondContact OD1-N 2.95Å; N234-R238 PolarHBondContact ND2-N 3.27Å; N234-R238 PolarHBondContact ND2-O 3.44Å; N234-R238 PolarHBondContact OD1-N 3.44Å | ||
| 235 | E | 85.8 | Confident | 93.6 | Very high | 169 Ų | 169 | 64.1 Ų | 64.1 | 79% | 0.79 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -35.4 | -175.4 | -62.4 | -180 | 172.4 | 0 | 0 | 112.8 | R233 K237 | R233-E235 HydrophobicContact CB-CG 4.41Å; R233-E235 PolarHBondContact O-N 3.18Å; E235-K237 PolarHBondContact O-N 2.91Å |
| 236 | K | 84.8 | Confident | 93.8 | Very high | 134 Ų | 134 | 58.4 Ų | 58.4 | 58% | 0.583 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 5.7 | 178.1 | -66.2 | -178.4 | 179.6 | 177.9 | 0 | 113.6 | N234 R238 D282 | N234-K236 VanDerWaalsContact C-N 3.27Å; N234-K236 PolarHBondContact O-N 3.09Å; K236-R238 HydrophobicContact CB-CG 3.97Å; K236-R238 PolarHBondContact O-N 3.3Å; K236-D282 IonicContact NZ-OD2 2.68Å |
| 237 | K | 85.1 | Confident | 93.7 | Very high | 117 Ų | 117 | 58.7 Ų | 58.7 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | trans | 49.8 | 43.3 | 179.9 | -59.4 | -177.6 | 176.9 | -178.4 | 0 | 113 | N234 E235 D390 | N234-K237 PolarHBondContact O-N 3.39Å; N234-K237 PolarHBondContact OD1-N 2.95Å; E235-K237 PolarHBondContact O-N 2.91Å; K237-D390 WeakPolarHBondContact CE-OD2 3.38Å | ||
| 238 | R | 87.4 | Confident | 93.6 | Very high | 30 Ų | 30 | 57 Ų | 57 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 167.5 | 177.4 | -63.1 | -178.1 | 171.7 | 177.8 | -6.1 | 111.2 | N234 K236 E267 D282 | N234-R238 PolarHBondContact ND2-N 3.27Å; N234-R238 PolarHBondContact ND2-O 3.44Å; N234-R238 PolarHBondContact OD1-N 3.44Å; K236-R238 HydrophobicContact CB-CG 3.97Å; K236-R238 PolarHBondContact O-N 3.3Å; R238-E267 WeakPolarHBondContact CD-OE1 3.2Å; R238-E267 IonicContact CZ-OE1 3.35Å; R238-E267 IonicContact NE-OE1 3.79Å; R238-E267 VanDerWaalsContact NH1-CD 3.26Å; R238-E267 IonicContact NH1-OE1 3.99Å; R238-E267 PolarHBondContact NH1-OE1 2.92Å; R238-D282 IonicContact CZ-OD2 2.93Å; R238-D282 IonicContact NH1-OD2 3.48Å; R238-D282 IonicContact NH2-OD2 2.77Å; R238-D282 PolarHBondContact NH2-OD2 2.92Å |
| 239 | G | 90.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 165.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G214 R261 D262 D263 | G214-G239 WeakPolarHBondContact CA-O 3.49Å; G239-R261 WeakPolarHBondContact O-CD 3.32Å; G239-R261 PolarHBondContact O-NH1 3.16Å; G239-D262 VanDerWaalsContact C-OD1 3.31Å; G239-D262 WeakPolarHBondContact CA-OD1 3.45Å; G239-D263 PolarHBondContact N-OD1 2.73Å; G239-D263 PolarHBondContact N-OD2 2.81Å |
| 240 | G | 95.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 149.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S212 R261 D262 | S212-G240 WeakPolarHBondContact O-CA 3.35Å; G240-R261 CarbonylContact O-C 3.53Å; G240-R261 VanDerWaalsContact O-CA 3.27Å; G240-R261 WeakPolarHBondContact O-CA 3.43Å; G240-D262 PolarHBondContact N-OD1 2.94Å; G240-D262 PolarHBondContact N-OD2 2.84Å; G240-D262 PolarHBondContact O-N 2.97Å |
| 241 | I | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 123.5 | -177.3 | -53.8 | -172.8 | 0 | 0 | 0 | 109.8 | T191 V192 T211 K215 L216 I244 V259 | T191-I241 WeakPolarHBondContact CB-O 3.35Å; T191-I241 PolarHBondContact OG1-O 2.92Å; V192-I241 HydrophobicContact CG1-CB 4.34Å; V192-I241 HydrophobicContact CG1-CG2 3.74Å; T211-I241 PolarHBondContact O-N 2.65Å; K215-I241 VanDerWaalsContact O-CD1 3.24Å; K215-I241 WeakPolarHBondContact O-CD1 3.42Å; L216-I241 HydrophobicContact CB-CD1 3.76Å; L216-I241 HydrophobicContact CD1-CD1 3.95Å; L216-I241 HydrophobicContact CG-CD1 4.41Å; I241-I244 HydrophobicContact CG2-CD1 4.11Å; I241-I244 HydrophobicContact CG2-CG1 3.81Å; I241-V259 HydrophobicContact CD1-CG1 4.08Å; I241-V259 HydrophobicContact CG1-CG1 4.27Å; I241-V259 HydrophobicContact CG2-CG1 3.69Å |
| 242 | L | 98.3 | Very high | 92.5 | Very high | 33 Ų | 33 | 51.5 Ų | 51.5 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -30.9 | -179.9 | -70 | -177.8 | 0 | 0 | 0 | 112.8 | Q18 G260 D262 V289 | Q18-L242 HydrophobicContact CG-CB 4.35Å; Q18-L242 WeakPolarHBondContact CG-O 3.27Å; Q18-L242 PolarHBondContact NE2-O 3.32Å; L242-G260 PolarHBondContact N-O 3.1Å; L242-D262 HydrophobicContact CD1-CB 3.67Å; L242-D262 HydrophobicContact CD2-CB 4.36Å; L242-D262 HydrophobicContact CG-CB 3.86Å; L242-V289 VanDerWaalsContact CB-O 3.26Å; L242-V289 WeakPolarHBondContact CB-O 3.32Å; L242-V289 WeakPolarHBondContact CD1-O 3.42Å |
| 243 | C | 98.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 148.7 | -178.7 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | K19 G260 S291 I292 | K19-C243 HydrophobicContact CG-CB 4.36Å; C243-G260 PolarHBondContact N-O 2.93Å; C243-G260 PolarHBondContact O-N 2.81Å; C243-S291 VanDerWaalsContact SG-CA 3.53Å; C243-I292 HydrophobicContact CB-CG2 3.91Å; C243-I292 VanDerWaalsContact SG-CG2 3.51Å; C243-I292 PolarHBondContact SG-N 3.42Å; C243-I292 VanDerWaalsContact SG-N 3.44Å |
| 244 | I | 98.4 | Very high | 92.3 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 138.6 | -177.8 | -60.6 | 167.9 | 0 | 0 | 0 | 107.5 | V192 A194 L208 L216 I241 L257 L258 | V192-I244 HydrophobicContact CG1-CD1 3.7Å; V192-I244 HydrophobicContact CG1-CG1 3.96Å; A194-I244 HydrophobicContact CB-CB 4.15Å; A194-I244 HydrophobicContact CB-CG2 4.09Å; L208-I244 HydrophobicContact CD1-CG2 4.39Å; L216-I244 HydrophobicContact CD1-CD1 3.43Å; L216-I244 VanDerWaalsContact CD1-CD1 3.43Å; L216-I244 HydrophobicContact CD1-CG1 4.18Å; I241-I244 HydrophobicContact CG2-CD1 4.11Å; I241-I244 HydrophobicContact CG2-CG1 3.81Å; I244-L257 HydrophobicContact CG2-CD1 3.4Å; I244-L257 VanDerWaalsContact CG2-CD1 3.4Å; I244-L258 CarbonylContact C-O 3.55Å; I244-L258 VanDerWaalsContact CA-O 3.31Å; I244-L258 WeakPolarHBondContact CA-O 3.41Å |
| 245 | D | 98.1 | Very high | 92.5 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 20% | 0.203 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 164.7 | 169.2 | -167.1 | 32.9 | 0 | 0 | 0 | 111.2 | L258 I292 Q293 G294 | D245-L258 HydrophobicContact CB-CB 4.41Å; D245-L258 PolarHBondContact N-O 3.09Å; D245-L258 PolarHBondContact O-N 3.38Å; D245-I292 HydrophobicContact CB-CG2 4.29Å; D245-Q293 WeakPolarHBondContact OD2-CA 3.49Å; D245-G294 PolarHBondContact OD2-N 3.13Å |
| 246 | S | 96.9 | Very high | 93 | Very high | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 117.8 | 176.9 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | D256 | S246-D256 CarbonylContact C-O 3.45Å; S246-D256 VanDerWaalsContact CA-O 3.27Å; S246-D256 WeakPolarHBondContact CA-O 3.29Å |
| 247 | F | 95.9 | Very high | 93.6 | Very high | 44 Ų | 44 | 36.6 Ų | 36.6 | 19% | 0.193 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 139.4 | -175.7 | -179.6 | -92.9 | 0 | 0 | 0 | 110.7 | I249 D256 L258 G294 D303 | F247-I249 HydrophobicContact CD1-CB 4.06Å; F247-I249 HydrophobicContact CE1-CB 4.34Å; F247-I249 HydrophobicContact CE1-CD1 4.13Å; F247-I249 PolarHBondContact O-N 2.69Å; F247-I249 VanDerWaalsContact O-N 3.12Å; F247-D256 PolarHBondContact N-O 3.32Å; F247-D256 WeakPolarHBondContact O-CA 3.47Å; F247-D256 VanDerWaalsContact O-CB 3.28Å; F247-D256 WeakPolarHBondContact O-CB 3.48Å; F247-D256 PolarHBondContact O-N 2.84Å; F247-L258 HydrophobicContact CB-CD1 3.95Å; F247-G294 VanDerWaalsContact CD2-C 3.42Å; F247-G294 WeakPolarHBondContact CD2-O 3.33Å; F247-G294 VanDerWaalsContact CG-CA 3.46Å; F247-D303 HydrophobicContact CE1-CB 3.95Å; F247-D303 HydrophobicContact CZ-CB 4.09Å |
| 248 | D | 94.4 | Very high | 94.2 | Very high | 38 Ų | 38 | 31 Ų | 31 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | trans | -80.2 | 87.9 | 178.3 | 178.2 | 13.5 | 0 | 0 | 0 | 109.7 | G251 D252 G253 V254 | D248-G251 WeakPolarHBondContact OD1-CA 3.17Å; D248-G251 PolarHBondContact OD1-N 3.09Å; D248-D252 PolarHBondContact OD1-N 2.88Å; D248-D252 VanDerWaalsContact OD1-N 3.12Å; D248-G253 WeakPolarHBondContact OD2-CA 3.4Å; D248-G253 PolarHBondContact OD2-N 2.89Å; D248-V254 WeakPolarHBondContact CB-O 3.3Å | ||
| 249 | I | 94.2 | Very high | 94.8 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -87.8 | -26.6 | 179.5 | -170.9 | 61.8 | 0 | 0 | 0 | 111.2 | L5 F247 G251 D256 L258 V268 D303 I305 T319 | L5-I249 HydrophobicContact CD2-CD1 4.28Å; L5-I249 HydrophobicContact CD2-CG1 4.15Å; F247-I249 HydrophobicContact CD1-CB 4.06Å; F247-I249 HydrophobicContact CE1-CB 4.34Å; F247-I249 HydrophobicContact CE1-CD1 4.13Å; F247-I249 PolarHBondContact O-N 2.69Å; F247-I249 VanDerWaalsContact O-N 3.12Å; I249-G251 VanDerWaalsContact C-N 3.33Å; I249-D256 HydrophobicContact CG2-CB 4.12Å; I249-D256 VanDerWaalsContact CG2-OD2 3.28Å; I249-D256 WeakPolarHBondContact CG2-OD2 3.33Å; I249-D256 PolarHBondContact N-OD2 2.91Å; I249-L258 HydrophobicContact CG2-CD2 4.27Å; I249-V268 HydrophobicContact CG2-CG1 3.64Å; I249-D303 HydrophobicContact CD1-CB 3.87Å; I249-I305 HydrophobicContact CD1-CG1 4.41Å; I249-I305 HydrophobicContact CG1-CD1 4.49Å; I249-I305 HydrophobicContact CG1-CG1 4.29Å; I249-T319 HydrophobicContact CD1-CG2 4.1Å |
| 250 | V | 89.7 | Confident | 95.1 | Very high | 52 Ų | 52 | 29.1 Ų | 29.1 | 32% | 0.315 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -75.5 | -25.3 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | D256 | V250-D256 WeakPolarHBondContact CG2-OD2 3.29Å; V250-D256 PolarHBondContact N-OD2 3.04Å |
| 251 | G | 87.9 | Confident | 95.2 | Very high | 45 Ų | 45 | 29.3 Ų | 29.3 | 46% | 0.464 | 18% | 0.181 | S | C | . | . | trans | 80.4 | 27 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D248 I249 | D248-G251 WeakPolarHBondContact OD1-CA 3.17Å; D248-G251 PolarHBondContact OD1-N 3.09Å; I249-G251 VanDerWaalsContact C-N 3.33Å | ||
| 252 | D | 88.2 | Confident | 95.1 | Very high | 95 Ų | 95 | 30 Ų | 30 | 51% | 0.508 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -93.9 | -0.3 | -179.5 | 70.5 | 10.4 | 0 | 0 | 0 | 113.5 | D248 V254 | D248-D252 PolarHBondContact OD1-N 2.88Å; D248-D252 VanDerWaalsContact OD1-N 3.12Å; D252-V254 VanDerWaalsContact C-N 3.33Å; D252-V254 WeakPolarHBondContact OD1-CB 3.26Å; D252-V254 PolarHBondContact OD1-N 3.46Å |
| 253 | G | 89 | Confident | 94.8 | Very high | 65 Ų | 65 | 28.7 Ų | 28.7 | 67% | 0.67 | 18% | 0.178 | S | C | * | . | S | Bend | trans | 89.7 | -7.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | D248 | D248-G253 WeakPolarHBondContact OD2-CA 3.4Å; D248-G253 PolarHBondContact OD2-N 2.89Å |
| 254 | V | 91.6 | Very high | 94.7 | Very high | 77 Ų | 77 | 28.6 Ų | 28.6 | 47% | 0.467 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -103.9 | 134.8 | 173.1 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | D248 D252 D256 F271 | D248-V254 WeakPolarHBondContact CB-O 3.3Å; D252-V254 VanDerWaalsContact C-N 3.33Å; D252-V254 WeakPolarHBondContact OD1-CB 3.26Å; D252-V254 PolarHBondContact OD1-N 3.46Å; V254-D256 PolarHBondContact O-N 3.32Å; V254-F271 HydrophobicContact CG1-CD2 4.44Å |
| 255 | K | 94.6 | Very high | 94.6 | Very high | 83 Ų | 83 | 28.9 Ų | 28.9 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -71.3 | 131.2 | 179.8 | -69.8 | -176.7 | 173.7 | -166.5 | 0 | 110.6 | N197 F271 | N197-K255 HydrophobicContact CB-CD 4.08Å; N197-K255 PolarHBondContact O-NZ 2.72Å; K255-F271 WeakPolarHBondContact O-CE2 3.23Å |
| 256 | D | 95.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 160.5 | 168.4 | -53.8 | -70.3 | 0 | 0 | 0 | 110.8 | S246 F247 I249 V250 V254 V268 Y269 S270 | S246-D256 CarbonylContact C-O 3.45Å; S246-D256 VanDerWaalsContact CA-O 3.27Å; S246-D256 WeakPolarHBondContact CA-O 3.29Å; F247-D256 PolarHBondContact N-O 3.32Å; F247-D256 WeakPolarHBondContact O-CA 3.47Å; F247-D256 VanDerWaalsContact O-CB 3.28Å; F247-D256 WeakPolarHBondContact O-CB 3.48Å; F247-D256 PolarHBondContact O-N 2.84Å; I249-D256 HydrophobicContact CG2-CB 4.12Å; I249-D256 VanDerWaalsContact CG2-OD2 3.28Å; I249-D256 WeakPolarHBondContact CG2-OD2 3.33Å; I249-D256 PolarHBondContact N-OD2 2.91Å; V250-D256 WeakPolarHBondContact CG2-OD2 3.29Å; V250-D256 PolarHBondContact N-OD2 3.04Å; V254-D256 PolarHBondContact O-N 3.32Å; D256-V268 HydrophobicContact CB-CG1 3.95Å; D256-Y269 WeakPolarHBondContact CA-O 3.22Å; D256-S270 WeakPolarHBondContact OD1-CA 3.31Å; D256-S270 WeakPolarHBondContact OD1-CB 3.46Å; D256-S270 PolarHBondContact OD1-OG 3.42Å |
| 257 | L | 97.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117 | 176.2 | -176.7 | 59.7 | 0 | 0 | 0 | 110 | L208 L216 W230 I244 V259 V268 Y269 F271 | L208-L257 HydrophobicContact CD1-CD1 3.63Å; L208-L257 HydrophobicContact CD2-CD2 4.3Å; L216-L257 HydrophobicContact CD2-CD2 3.33Å; L216-L257 HydrophobicContact CD2-CG 4.26Å; L216-L257 HydrophobicContact CG-CD2 4.31Å; W230-L257 HydrophobicContact CH2-CD2 3.82Å; I244-L257 HydrophobicContact CG2-CD1 3.4Å; I244-L257 VanDerWaalsContact CG2-CD1 3.4Å; L257-V259 HydrophobicContact CG-CG2 4.04Å; L257-V268 WeakPolarHBondContact O-CA 3.29Å; L257-Y269 PolarHBondContact N-O 2.99Å; L257-Y269 PolarHBondContact O-N 2.93Å; L257-F271 HydrophobicContact CB-CZ 4.33Å |
| 258 | L | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.6 | 179.2 | -47.5 | -175.9 | 0 | 0 | 0 | 108.9 | I244 D245 F247 I249 V268 I292 I305 | I244-L258 CarbonylContact C-O 3.55Å; I244-L258 VanDerWaalsContact CA-O 3.31Å; I244-L258 WeakPolarHBondContact CA-O 3.41Å; D245-L258 HydrophobicContact CB-CB 4.41Å; D245-L258 PolarHBondContact N-O 3.09Å; D245-L258 PolarHBondContact O-N 3.38Å; F247-L258 HydrophobicContact CB-CD1 3.95Å; I249-L258 HydrophobicContact CG2-CD2 4.27Å; L258-V268 HydrophobicContact CD2-CB 4.48Å; L258-V268 HydrophobicContact CD2-CG1 4.08Å; L258-V268 HydrophobicContact CD2-CG2 3.97Å; L258-I292 HydrophobicContact CB-CD1 3.73Å; L258-I292 HydrophobicContact CB-CG1 4.07Å; L258-I305 HydrophobicContact CD1-CG1 4.11Å; L258-I305 HydrophobicContact CD1-CG2 4.22Å; L258-I305 HydrophobicContact CD2-CD1 3.85Å; L258-I305 HydrophobicContact CD2-CG1 4.23Å |
| 259 | V | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.3 | -175.4 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | L216 I241 L257 V266 E267 Y269 | L216-V259 HydrophobicContact CD2-CG2 3.95Å; I241-V259 HydrophobicContact CD1-CG1 4.08Å; I241-V259 HydrophobicContact CG1-CG1 4.27Å; I241-V259 HydrophobicContact CG2-CG1 3.69Å; L257-V259 HydrophobicContact CG-CG2 4.04Å; V259-V266 WeakPolarHBondContact O-CA 3.37Å; V259-E267 HydrophobicContact CB-CB 4.28Å; V259-E267 PolarHBondContact N-O 3.14Å; V259-E267 PolarHBondContact O-N 3.07Å; V259-Y269 HydrophobicContact CG2-CD2 4.16Å; V259-Y269 HydrophobicContact CG2-CE2 4.16Å |
| 260 | G | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L242 C243 | L242-G260 PolarHBondContact N-O 3.1Å; C243-G260 PolarHBondContact N-O 2.93Å; C243-G260 PolarHBondContact O-N 2.81Å |
| 261 | R | 97.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 2% | 0.019 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 161.2 | -174.5 | -60.6 | -170.8 | -178.8 | -94.5 | -4.2 | 114.2 | G214 G239 G240 D263 G264 M265 E267 V289 | G214-R261 PolarHBondContact O-NH1 3.36Å; G239-R261 WeakPolarHBondContact O-CD 3.32Å; G239-R261 PolarHBondContact O-NH1 3.16Å; G240-R261 CarbonylContact O-C 3.53Å; G240-R261 VanDerWaalsContact O-CA 3.27Å; G240-R261 WeakPolarHBondContact O-CA 3.43Å; R261-D263 VanDerWaalsContact C-N 3.25Å; R261-D263 WeakPolarHBondContact CB-OD1 3.48Å; R261-D263 PolarHBondContact O-N 3.28Å; R261-G264 PolarHBondContact O-N 3.37Å; R261-M265 HydrophobicContact CB-CB 4.2Å; R261-M265 HydrophobicContact CG-CB 4.34Å; R261-M265 PolarHBondContact N-O 2.83Å; R261-E267 IonicContact CZ-OE1 3.87Å; R261-E267 IonicContact CZ-OE2 2.67Å; R261-E267 IonicContact NE-OE1 3.42Å; R261-E267 PolarHBondContact NE-OE1 3.19Å; R261-E267 IonicContact NE-OE2 2.73Å; R261-E267 PolarHBondContact NE-OE2 3.4Å; R261-E267 IonicContact NH2-OE1 3.63Å; R261-E267 PolarHBondContact NH2-OE1 3.47Å; R261-E267 IonicContact NH2-OE2 3.63Å; R261-E267 PolarHBondContact NH2-OE2 3.41Å; R261-V289 PolarHBondContact O-N 3.2Å |
| 262 | D | 94.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 9% | 0.086 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8 | 177.6 | 73.9 | 8.4 | 0 | 0 | 0 | 114.9 | G239 G240 L242 S288 K384 R453 | G239-D262 VanDerWaalsContact C-OD1 3.31Å; G239-D262 WeakPolarHBondContact CA-OD1 3.45Å; G240-D262 PolarHBondContact N-OD1 2.94Å; G240-D262 PolarHBondContact N-OD2 2.84Å; G240-D262 PolarHBondContact O-N 2.97Å; L242-D262 HydrophobicContact CD1-CB 3.67Å; L242-D262 HydrophobicContact CD2-CB 4.36Å; L242-D262 HydrophobicContact CG-CB 3.86Å; D262-S288 PolarHBondContact O-OG 3Å; D262-K384 IonicContact OD2-NZ 3.59Å; D262-K384 PolarHBondContact OD2-NZ 3.44Å; D262-R453 PolarHBondContact O-NE 2.82Å |
| 263 | D | 93.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -0.6 | 171.1 | 66.9 | -14.2 | 0 | 0 | 0 | 112.3 | G239 R261 M265 M284 K422 | G239-D263 PolarHBondContact N-OD1 2.73Å; G239-D263 PolarHBondContact N-OD2 2.81Å; R261-D263 VanDerWaalsContact C-N 3.25Å; R261-D263 WeakPolarHBondContact CB-OD1 3.48Å; R261-D263 PolarHBondContact O-N 3.28Å; D263-M265 WeakPolarHBondContact OD1-CB 3.41Å; D263-M265 PolarHBondContact OD1-N 2.85Å; D263-M284 WeakPolarHBondContact O-CE 3.25Å; D263-K422 IonicContact OD2-NZ 2.75Å |
| 264 | G | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 94.7 | -1.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R261 V266 L285 E287 | R261-G264 PolarHBondContact O-N 3.37Å; G264-V266 PolarHBondContact O-N 2.68Å; G264-L285 VanDerWaalsContact O-CB 3.3Å; G264-L285 WeakPolarHBondContact O-CB 3.28Å; G264-L285 PolarHBondContact O-N 3.08Å; G264-E287 WeakPolarHBondContact CA-O 3.43Å |
| 265 | M | 97 | Very high | 94 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 11% | 0.108 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 131.7 | 176.6 | -169.7 | 62.1 | 65.2 | 0 | 0 | 111.6 | R261 D263 E267 D282 M284 | R261-M265 HydrophobicContact CB-CB 4.2Å; R261-M265 HydrophobicContact CG-CB 4.34Å; R261-M265 PolarHBondContact N-O 2.83Å; D263-M265 WeakPolarHBondContact OD1-CB 3.41Å; D263-M265 PolarHBondContact OD1-N 2.85Å; M265-E267 HydrophobicContact CG-CG 3.78Å; M265-D282 HydrophobicContact SD-CB 3.8Å; M265-M284 HydrophobicContact CE-CB 4.18Å; M265-M284 HydrophobicContact CE-SD 3.87Å |
| 266 | V | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.8 | 168.3 | 178.4 | 0 | 0 | 0 | 0 | 108 | V259 G264 D282 Q283 L285 V289 I292 V307 L317 | V259-V266 WeakPolarHBondContact O-CA 3.37Å; G264-V266 PolarHBondContact O-N 2.68Å; V266-D282 CarbonylContact O-C 3.53Å; V266-D282 VanDerWaalsContact O-CA 3.22Å; V266-D282 WeakPolarHBondContact O-CA 3.02Å; V266-Q283 PolarHBondContact N-O 3.11Å; V266-Q283 PolarHBondContact O-N 2.83Å; V266-L285 HydrophobicContact CG2-CD1 3.84Å; V266-L285 HydrophobicContact CG2-CG 4.26Å; V266-V289 HydrophobicContact CG2-CG2 3.91Å; V266-I292 HydrophobicContact CG1-CD1 3.86Å; V266-V307 HydrophobicContact CG2-CG1 4.32Å; V266-V307 HydrophobicContact CG2-CG2 4.1Å; V266-L317 HydrophobicContact CB-CD1 4.37Å; V266-L317 HydrophobicContact CG1-CD1 3.94Å |
| 267 | E | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.4 | -176.9 | -54.2 | 172.8 | 167.7 | 0 | 0 | 111.2 | R238 V259 R261 M265 Y269 L279 F281 | R238-E267 WeakPolarHBondContact CD-OE1 3.2Å; R238-E267 IonicContact CZ-OE1 3.35Å; R238-E267 IonicContact NE-OE1 3.79Å; R238-E267 VanDerWaalsContact NH1-CD 3.26Å; R238-E267 IonicContact NH1-OE1 3.99Å; R238-E267 PolarHBondContact NH1-OE1 2.92Å; V259-E267 HydrophobicContact CB-CB 4.28Å; V259-E267 PolarHBondContact N-O 3.14Å; V259-E267 PolarHBondContact O-N 3.07Å; R261-E267 IonicContact CZ-OE1 3.87Å; R261-E267 IonicContact CZ-OE2 2.67Å; R261-E267 IonicContact NE-OE1 3.42Å; R261-E267 PolarHBondContact NE-OE1 3.19Å; R261-E267 IonicContact NE-OE2 2.73Å; R261-E267 PolarHBondContact NE-OE2 3.4Å; R261-E267 IonicContact NH2-OE1 3.63Å; R261-E267 PolarHBondContact NH2-OE1 3.47Å; R261-E267 IonicContact NH2-OE2 3.63Å; R261-E267 PolarHBondContact NH2-OE2 3.41Å; M265-E267 HydrophobicContact CG-CG 3.78Å; E267-Y269 HydrophobicContact CB-CD2 4.27Å; E267-Y269 HydrophobicContact CB-CE2 3.6Å; E267-Y269 HydrophobicContact CG-CE2 4.4Å; E267-Y269 WeakPolarHBondContact OE2-CE2 3.38Å; E267-Y269 PolarHBondContact OE2-OH 2.88Å; E267-L279 HydrophobicContact CB-CD1 3.94Å; E267-L279 HydrophobicContact CG-CD1 4.36Å; E267-F281 WeakPolarHBondContact CA-O 3.4Å |
| 268 | V | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122.7 | 172.2 | -177 | 0 | 0 | 0 | 0 | 108.7 | I249 D256 L257 L258 R280 F281 I305 | I249-V268 HydrophobicContact CG2-CG1 3.64Å; D256-V268 HydrophobicContact CB-CG1 3.95Å; L257-V268 WeakPolarHBondContact O-CA 3.29Å; L258-V268 HydrophobicContact CD2-CB 4.48Å; L258-V268 HydrophobicContact CD2-CG1 4.08Å; L258-V268 HydrophobicContact CD2-CG2 3.97Å; V268-R280 PolarHBondContact O-N 3.08Å; V268-F281 HydrophobicContact CB-CB 4.06Å; V268-F281 HydrophobicContact CG2-CB 4.1Å; V268-F281 HydrophobicContact CG2-CD1 3.97Å; V268-F281 HydrophobicContact CG2-CG 4.45Å; V268-F281 PolarHBondContact N-O 2.97Å; V268-F281 PolarHBondContact O-N 3.33Å; V268-I305 HydrophobicContact CG2-CD1 3.43Å; V268-I305 VanDerWaalsContact CG2-CD1 3.43Å |
| 269 | Y | 96.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.4 | 172.3 | -60.5 | -99.6 | 0 | 0 | 0 | 110.2 | I232 D256 L257 V259 E267 P277 V278 L279 | I232-Y269 HydrophobicContact CD1-CD1 3.78Å; I232-Y269 HydrophobicContact CD1-CE1 3.75Å; I232-Y269 HydrophobicContact CD1-CE2 4.5Å; I232-Y269 HydrophobicContact CD1-CG 4.2Å; I232-Y269 HydrophobicContact CG2-CE1 4.35Å; D256-Y269 WeakPolarHBondContact CA-O 3.22Å; L257-Y269 PolarHBondContact N-O 2.99Å; L257-Y269 PolarHBondContact O-N 2.93Å; V259-Y269 HydrophobicContact CG2-CD2 4.16Å; V259-Y269 HydrophobicContact CG2-CE2 4.16Å; E267-Y269 HydrophobicContact CB-CD2 4.27Å; E267-Y269 HydrophobicContact CB-CE2 3.6Å; E267-Y269 HydrophobicContact CG-CE2 4.4Å; E267-Y269 WeakPolarHBondContact OE2-CE2 3.38Å; E267-Y269 PolarHBondContact OE2-OH 2.88Å; Y269-P277 HydrophobicContact CD1-CB 4.25Å; Y269-P277 HydrophobicContact CG-CB 4.46Å; Y269-V278 VanDerWaalsContact CA-O 3.29Å; Y269-V278 WeakPolarHBondContact CA-O 3.32Å; Y269-L279 HydrophobicContact CD1-CB 4Å; Y269-L279 HydrophobicContact CD1-CD1 4.36Å; Y269-L279 HydrophobicContact CE1-CB 3.73Å; Y269-L279 HydrophobicContact CE1-CD1 3.91Å; Y269-L279 HydrophobicContact CE1-CG 4.4Å; Y269-L279 HydrophobicContact CE2-CD1 4.09Å |
| 270 | S | 94.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 165.9 | 166.7 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | D256 P277 V278 R280 | D256-S270 WeakPolarHBondContact OD1-CA 3.31Å; D256-S270 WeakPolarHBondContact OD1-CB 3.46Å; D256-S270 PolarHBondContact OD1-OG 3.42Å; S270-P277 CarbonylContact O-C 3.52Å; S270-P277 WeakPolarHBondContact O-CA 3.41Å; S270-V278 PolarHBondContact N-O 3.22Å; S270-V278 PolarHBondContact O-N 3.38Å; S270-R280 WeakPolarHBondContact OG-CG 3.25Å |
| 271 | F | 92.1 | Very high | 93.1 | Very high | 34 Ų | 34 | 42.3 Ų | 42.3 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 137.1 | 176.6 | -61.7 | -80 | 0 | 0 | 0 | 110.6 | H196 W230 V254 K255 L257 E276 P277 | H196-F271 AromaticContact CE1-CZ 3.83Å; W230-F271 AromaticContact CZ2-CE1 3.76Å; W230-F271 HydrophobicContact CZ2-CE1 3.76Å; W230-F271 HydrophobicContact CZ2-CZ 4.23Å; V254-F271 HydrophobicContact CG1-CD2 4.44Å; K255-F271 WeakPolarHBondContact O-CE2 3.23Å; L257-F271 HydrophobicContact CB-CZ 4.33Å; F271-E276 WeakPolarHBondContact CA-O 3.18Å; F271-P277 HydrophobicContact CD1-CB 4.4Å; F271-P277 HydrophobicContact CE1-CB 4.14Å |
| 272 | D | 86.4 | Confident | 93 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 31% | 0.31 | 24% | 0.24 | S | C | . | . | trans | -82.9 | -174 | 173.2 | 76.9 | -2 | 0 | 0 | 0 | 112.1 | A274 N275 E276 V278 | D272-A274 PolarHBondContact O-N 3.5Å; D272-A274 WeakPolarHBondContact OD1-CA 3.39Å; D272-A274 WeakPolarHBondContact OD1-CB 3.35Å; D272-A274 PolarHBondContact OD1-N 3.42Å; D272-N275 PolarHBondContact O-N 3.28Å; D272-N275 PolarHBondContact OD1-N 3.05Å; D272-N275 VanDerWaalsContact OD1-N 3.12Å; D272-E276 PolarHBondContact N-O 3.38Å; D272-E276 PolarHBondContact OD1-N 2.76Å; D272-V278 HydrophobicContact CB-CG2 4.05Å | ||
| 273 | N | 83.4 | Confident | 93 | Very high | 179 Ų | 179 | 46.4 Ų | 46.4 | 96% | 0.957 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19 | 179.5 | -66.3 | -25.1 | 0 | 0 | 0 | 113.7 | N275 | N273-N275 VanDerWaalsContact C-N 3.33Š|
| 274 | A | 83.8 | Confident | 93.1 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 55% | 0.554 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 4.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D272 E276 | D272-A274 PolarHBondContact O-N 3.5Å; D272-A274 WeakPolarHBondContact OD1-CA 3.39Å; D272-A274 WeakPolarHBondContact OD1-CB 3.35Å; D272-A274 PolarHBondContact OD1-N 3.42Å; A274-E276 HydrophobicContact CB-CG 4.23Å; A274-E276 PolarHBondContact O-N 3.17Å |
| 275 | N | 84.5 | Confident | 92.9 | Very high | 117 Ų | 117 | 51 Ų | 51 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 59.7 | 27.7 | -170.2 | -63.1 | -38 | 0 | 0 | 0 | 113.4 | D272 N273 | D272-N275 PolarHBondContact O-N 3.28Å; D272-N275 PolarHBondContact OD1-N 3.05Å; D272-N275 VanDerWaalsContact OD1-N 3.12Å; N273-N275 VanDerWaalsContact C-N 3.33Å |
| 276 | E | 89.8 | Confident | 92.5 | Very high | 116 Ų | 116 | 54 Ų | 54 | 54% | 0.542 | 29% | 0.291 | S | S | . | . | trans | -90.2 | 138.3 | 172.1 | -65.9 | -170.4 | 170.2 | 0 | 0 | 110.2 | F271 D272 A274 | F271-E276 WeakPolarHBondContact CA-O 3.18Å; D272-E276 PolarHBondContact N-O 3.38Å; D272-E276 PolarHBondContact OD1-N 2.76Å; A274-E276 HydrophobicContact CB-CG 4.23Å; A274-E276 PolarHBondContact O-N 3.17Å | ||
| 277 | P | 93.7 | Very high | 92.2 | Very high | 28 Ų | 28 | 54.6 Ų | 54.6 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 131.4 | -179.5 | 29.6 | -34.9 | 0 | 0 | 0 | 111.6 | W230 I232 Y269 S270 F271 | W230-P277 HydrophobicContact CD2-CG 3.95Å; W230-P277 HydrophobicContact CE3-CG 3.8Å; W230-P277 HydrophobicContact CH2-CG 4.28Å; W230-P277 HydrophobicContact CZ2-CG 4.39Å; W230-P277 HydrophobicContact CZ3-CG 3.99Å; I232-P277 HydrophobicContact CD1-CB 3.65Å; I232-P277 HydrophobicContact CD1-CG 3.43Å; I232-P277 VanDerWaalsContact CD1-CG 3.43Å; I232-P277 HydrophobicContact CG1-CB 4.32Å; I232-P277 HydrophobicContact CG1-CG 3.53Å; Y269-P277 HydrophobicContact CD1-CB 4.25Å; Y269-P277 HydrophobicContact CG-CB 4.46Å; S270-P277 CarbonylContact O-C 3.52Å; S270-P277 WeakPolarHBondContact O-CA 3.41Å; F271-P277 HydrophobicContact CD1-CB 4.4Å; F271-P277 HydrophobicContact CE1-CB 4.14Å |
| 278 | V | 93.8 | Very high | 92.1 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.3 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | Y269 S270 D272 R280 | Y269-V278 VanDerWaalsContact CA-O 3.29Å; Y269-V278 WeakPolarHBondContact CA-O 3.32Å; S270-V278 PolarHBondContact N-O 3.22Å; S270-V278 PolarHBondContact O-N 3.38Å; D272-V278 HydrophobicContact CB-CG2 4.05Å; V278-R280 PolarHBondContact O-N 2.81Å |
| 279 | L | 94.9 | Very high | 92.2 | Very high | 52 Ų | 52 | 54.7 Ų | 54.7 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 123.3 | 177.2 | -177 | 68.7 | 0 | 0 | 0 | 110.3 | E267 Y269 F281 | E267-L279 HydrophobicContact CB-CD1 3.94Å; E267-L279 HydrophobicContact CG-CD1 4.36Å; Y269-L279 HydrophobicContact CD1-CB 4Å; Y269-L279 HydrophobicContact CD1-CD1 4.36Å; Y269-L279 HydrophobicContact CE1-CB 3.73Å; Y269-L279 HydrophobicContact CE1-CD1 3.91Å; Y269-L279 HydrophobicContact CE1-CG 4.4Å; Y269-L279 HydrophobicContact CE2-CD1 4.09Å; L279-F281 WeakPolarHBondContact CD1-O 3.48Å |
| 280 | R | 95 | Very high | 92.3 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 33% | 0.328 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -30.8 | 178.2 | -64.3 | -53.9 | -173.6 | 179.6 | -8.3 | 113.9 | D2 P3 V268 S270 V278 | D2-R280 IonicContact OD1-NH1 3.93Å; P3-R280 HydrophobicContact CG-CB 4.39Å; V268-R280 PolarHBondContact O-N 3.08Å; S270-R280 WeakPolarHBondContact OG-CG 3.25Å; V278-R280 PolarHBondContact O-N 2.81Å |
| 281 | F | 95.7 | Very high | 92.5 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 141 | -176.7 | 173.1 | -89.6 | 0 | 0 | 0 | 110 | P3 L5 E267 V268 L279 Q283 L317 | P3-F281 HydrophobicContact CG-CB 3.89Å; P3-F281 WeakPolarHBondContact O-CD2 3.45Å; L5-F281 HydrophobicContact CB-CE1 4.5Å; L5-F281 HydrophobicContact CB-CE2 3.94Å; L5-F281 HydrophobicContact CB-CZ 3.87Å; L5-F281 HydrophobicContact CD1-CD1 4.02Å; L5-F281 HydrophobicContact CD1-CD2 4.47Å; L5-F281 HydrophobicContact CD1-CE1 3.94Å; L5-F281 HydrophobicContact CD1-CE2 4.41Å; L5-F281 HydrophobicContact CD1-CG 4.28Å; L5-F281 HydrophobicContact CD1-CZ 4.13Å; L5-F281 HydrophobicContact CG-CE2 4.34Å; L5-F281 HydrophobicContact CG-CZ 4.4Å; E267-F281 WeakPolarHBondContact CA-O 3.4Å; V268-F281 HydrophobicContact CB-CB 4.06Å; V268-F281 HydrophobicContact CG2-CB 4.1Å; V268-F281 HydrophobicContact CG2-CD1 3.97Å; V268-F281 HydrophobicContact CG2-CG 4.45Å; V268-F281 PolarHBondContact N-O 2.97Å; V268-F281 PolarHBondContact O-N 3.33Å; L279-F281 WeakPolarHBondContact CD1-O 3.48Å; F281-Q283 HydrophobicContact CE1-CB 3.61Å; F281-Q283 HydrophobicContact CZ-CB 3.58Å; F281-L317 HydrophobicContact CE1-CD1 3.96Å; F281-L317 HydrophobicContact CZ-CD1 4.35Å |
| 282 | D | 95.4 | Very high | 92.8 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 35% | 0.353 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.6 | 165.6 | 61.8 | 34.2 | 0 | 0 | 0 | 111.6 | K236 R238 M265 V266 | K236-D282 IonicContact NZ-OD2 2.68Å; R238-D282 IonicContact CZ-OD2 2.93Å; R238-D282 IonicContact NH1-OD2 3.48Å; R238-D282 IonicContact NH2-OD2 2.77Å; R238-D282 PolarHBondContact NH2-OD2 2.92Å; M265-D282 HydrophobicContact SD-CB 3.8Å; V266-D282 CarbonylContact O-C 3.53Å; V266-D282 VanDerWaalsContact O-CA 3.22Å; V266-D282 WeakPolarHBondContact O-CA 3.02Å |
| 283 | Q | 95.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 128.6 | 175.3 | 179 | 173.8 | -19.9 | 0 | 0 | 110.7 | V266 F281 L317 | V266-Q283 PolarHBondContact N-O 3.11Å; V266-Q283 PolarHBondContact O-N 2.83Å; F281-Q283 HydrophobicContact CE1-CB 3.61Å; F281-Q283 HydrophobicContact CZ-CB 3.58Å; Q283-L317 VanDerWaalsContact OE1-CD2 3.25Å |
| 284 | M | 94.6 | Very high | 94 | Very high | 96 Ų | 96 | 43.3 Ų | 43.3 | 47% | 0.473 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 125.3 | 175.3 | -171.9 | 71.3 | 177.2 | 0 | 0 | 110.9 | D263 M265 | D263-M284 WeakPolarHBondContact O-CE 3.25Å; M265-M284 HydrophobicContact CE-CB 4.18Å; M265-M284 HydrophobicContact CE-SD 3.87Å |
| 285 | L | 92.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | trans | -100.3 | 160.1 | 163 | -56.6 | 178.6 | 0 | 0 | 0 | 109.6 | G264 V266 E287 V289 V307 T309 | G264-L285 VanDerWaalsContact O-CB 3.3Å; G264-L285 WeakPolarHBondContact O-CB 3.28Å; G264-L285 PolarHBondContact O-N 3.08Å; V266-L285 HydrophobicContact CG2-CD1 3.84Å; V266-L285 HydrophobicContact CG2-CG 4.26Å; L285-E287 VanDerWaalsContact C-N 3.28Å; L285-E287 PolarHBondContact O-N 3.46Å; L285-V289 HydrophobicContact CD1-CG2 3.87Å; L285-V307 HydrophobicContact CD1-CB 4.43Å; L285-V307 HydrophobicContact CD1-CG1 3.84Å; L285-T309 HydrophobicContact CD1-CG2 4.22Å | ||
| 286 | S | 87.4 | Confident | 94.9 | Very high | 85 Ų | 85 | 34.7 Ų | 34.7 | 59% | 0.594 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -81.1 | -4 | -174.4 | 53.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 287 | E | 91.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -142.2 | 160.1 | -170.5 | -66.5 | -179.6 | -176.8 | 0 | 0 | 110.2 | G264 L285 V289 T309 S311 | G264-E287 WeakPolarHBondContact CA-O 3.43Å; L285-E287 VanDerWaalsContact C-N 3.28Å; L285-E287 PolarHBondContact O-N 3.46Å; E287-V289 PolarHBondContact O-N 2.92Å; E287-T309 HydrophobicContact CB-CG2 4.44Å; E287-T309 VanDerWaalsContact OE2-CB 3.25Å; E287-T309 WeakPolarHBondContact OE2-CB 3.46Å; E287-T309 PolarHBondContact OE2-OG1 3.19Å; E287-S311 VanDerWaalsContact OE1-CB 3.28Å; E287-S311 WeakPolarHBondContact OE1-CB 3.44Å; E287-S311 PolarHBondContact OE1-OG 3.18Å; E287-S311 VanDerWaalsContact OE2-CB 3.24Å; E287-S311 WeakPolarHBondContact OE2-CB 3.5Å; E287-S311 PolarHBondContact OE2-N 3.4Å; E287-S311 PolarHBondContact OE2-OG 2.9Å |
| 288 | S | 96.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | trans | -55.8 | 131.7 | 175 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | D262 T290 T309 Y310 E399 | D262-S288 PolarHBondContact O-OG 3Å; S288-T290 PolarHBondContact O-N 3Å; S288-T309 CarbonylContact O-C 3.54Å; S288-T309 VanDerWaalsContact O-CA 3.3Å; S288-T309 WeakPolarHBondContact O-CA 3.37Å; S288-Y310 PolarHBondContact O-N 3.33Å; S288-E399 WeakPolarHBondContact CB-OE2 3.29Å; S288-E399 PolarHBondContact N-OE1 3.09Å; S288-E399 PolarHBondContact OG-OE1 3.4Å; S288-E399 PolarHBondContact OG-OE2 2.93Å | ||
| 289 | V | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 108.9 | 175 | 174 | 0 | 0 | 0 | 0 | 109.7 | L242 R261 V266 L285 E287 V307 | L242-V289 VanDerWaalsContact CB-O 3.26Å; L242-V289 WeakPolarHBondContact CB-O 3.32Å; L242-V289 WeakPolarHBondContact CD1-O 3.42Å; R261-V289 PolarHBondContact O-N 3.2Å; V266-V289 HydrophobicContact CG2-CG2 3.91Å; L285-V289 HydrophobicContact CD1-CG2 3.87Å; E287-V289 PolarHBondContact O-N 2.92Å; V289-V307 HydrophobicContact CB-CG1 4.18Å; V289-V307 HydrophobicContact CG1-CG1 3.35Å; V289-V307 HydrophobicContact CG2-CG1 3.83Å |
| 290 | T | 98.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -26.9 | -175 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | T16 Q18 K19 S288 S308 | T16-T290 PolarHBondContact OG1-OG1 3.03Å; Q18-T290 CarbonylContact C-O 3.56Å; Q18-T290 WeakPolarHBondContact CA-O 3.37Å; K19-T290 PolarHBondContact N-O 2.87Å; S288-T290 PolarHBondContact O-N 3Å; T290-S308 PolarHBondContact N-O 2.94Å; T290-S308 PolarHBondContact OG1-O 2.98Å; T290-S308 VanDerWaalsContact OG1-O 3.13Å; T290-S308 PolarHBondContact OG1-OG 2.82Å |
| 291 | S | 98.6 | Very high | 94 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 148.3 | 177.1 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | K19 T20 M21 C243 V307 S308 | K19-S291 VanDerWaalsContact CA-OG 3.27Å; K19-S291 WeakPolarHBondContact CA-OG 3.34Å; K19-S291 PolarHBondContact N-OG 2.77Å; T20-S291 PolarHBondContact N-OG 3.48Å; M21-S291 PolarHBondContact N-OG 3.49Å; C243-S291 VanDerWaalsContact SG-CA 3.53Å; S291-V307 WeakPolarHBondContact O-CA 3.26Å; S291-S308 PolarHBondContact N-O 3.01Å; S291-S308 PolarHBondContact O-N 3.3Å |
| 292 | I | 98.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 137 | 177.6 | -169.2 | 164.4 | 0 | 0 | 0 | 108.9 | C243 D245 L258 V266 I305 V306 V307 | C243-I292 HydrophobicContact CB-CG2 3.91Å; C243-I292 VanDerWaalsContact SG-CG2 3.51Å; C243-I292 PolarHBondContact SG-N 3.42Å; C243-I292 VanDerWaalsContact SG-N 3.44Å; D245-I292 HydrophobicContact CB-CG2 4.29Å; L258-I292 HydrophobicContact CB-CD1 3.73Å; L258-I292 HydrophobicContact CB-CG1 4.07Å; V266-I292 HydrophobicContact CG1-CD1 3.86Å; I292-I305 HydrophobicContact CD1-CG2 3.79Å; I292-I305 HydrophobicContact CG1-CG2 3.58Å; I292-V306 CarbonylContact C-O 3.58Å; I292-V306 WeakPolarHBondContact CA-O 3.26Å; I292-V307 HydrophobicContact CG1-CG2 4.27Å |
| 293 | Q | 98.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 31.2 Ų | 31.2 | 13% | 0.131 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 146.6 | 168.5 | -73.1 | -154 | -34 | 0 | 0 | 112.4 | M21 K22 L23 D245 I305 V306 | M21-Q293 HydrophobicContact CE-CB 4.38Å; K22-Q293 VanDerWaalsContact CD-NE2 3.34Å; L23-Q293 VanDerWaalsContact CB-OE1 3.32Å; L23-Q293 HydrophobicContact CD1-CB 3.9Å; L23-Q293 HydrophobicContact CG-CB 3.97Å; D245-Q293 WeakPolarHBondContact OD2-CA 3.49Å; Q293-I305 CarbonylContact O-C 3.6Å; Q293-V306 PolarHBondContact N-O 2.79Å; Q293-V306 PolarHBondContact O-N 2.97Å |
| 294 | G | 96.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 29.3 Ų | 29.3 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 142.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D245 F247 E304 | D245-G294 PolarHBondContact OD2-N 3.13Å; F247-G294 VanDerWaalsContact CD2-C 3.42Å; F247-G294 WeakPolarHBondContact CD2-O 3.33Å; F247-G294 VanDerWaalsContact CG-CA 3.46Å; G294-E304 WeakPolarHBondContact CA-O 3.02Å |
| 295 | G | 94.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | -149.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | D303 E304 | G295-D303 CarbonylContact O-C 3.55Å; G295-D303 WeakPolarHBondContact O-CA 3.28Å; G295-E304 PolarHBondContact N-O 2.96Å; G295-E304 WeakPolarHBondContact O-CG 3.44Å; G295-E304 PolarHBondContact O-N 3.05Å |
| 296 | C | 93.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | trans | -141.5 | 117.3 | 176.7 | 179 | 0 | 0 | 0 | 0 | 108.2 | T32 Q33 K299 Y302 | T32-C296 CarbonylContact C-O 3.55Å; T32-C296 WeakPolarHBondContact CA-O 3.34Å; Q33-C296 WeakPolarHBondContact CB-O 3.49Å; Q33-C296 PolarHBondContact N-O 3.08Å; C296-K299 PolarHBondContact SG-O 3.12Å; C296-Y302 PolarHBondContact SG-O 3.19Å | ||
| 297 | V | 94.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -130 | -44.4 | -177.5 | 178 | 0 | 0 | 0 | 0 | 112 | Y10 L23 T32 Q33 V35 M49 E304 V306 | Y10-V297 HydrophobicContact CE2-CB 4.37Å; Y10-V297 HydrophobicContact CE2-CG1 4.29Å; L23-V297 HydrophobicContact CD1-CG2 4.44Å; L23-V297 HydrophobicContact CD2-CG2 3.79Å; T32-V297 VanDerWaalsContact CG2-O 3.25Å; T32-V297 WeakPolarHBondContact CG2-O 3.43Å; Q33-V297 HydrophobicContact CB-CG2 4.42Å; V35-V297 HydrophobicContact CG2-CB 4.45Å; V35-V297 HydrophobicContact CG2-CG1 3.74Å; V35-V297 HydrophobicContact CG2-CG2 3.9Å; M49-V297 VanDerWaalsContact CB-O 3.26Å; M49-V297 WeakPolarHBondContact CB-O 3.45Å; M49-V297 HydrophobicContact CG-CG1 3.83Å; M49-V297 WeakPolarHBondContact CG-O 3.4Å; V297-E304 VanDerWaalsContact CB-OE1 3.24Å; V297-E304 WeakPolarHBondContact CB-OE1 3.48Å; V297-E304 PolarHBondContact N-OE1 2.85Å; V297-E304 PolarHBondContact N-OE2 2.89Å; V297-V306 HydrophobicContact CB-CG2 4.36Å; V297-V306 HydrophobicContact CG2-CG2 3.71Å | ||
| 298 | G | 89.1 | Confident | 95 | Very high | 16 Ų | 16 | 19.9 Ų | 19.9 | 17% | 0.165 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -64.9 | -57.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y10 E304 | Y10-G298 WeakPolarHBondContact OH-CA 3.42Å; Y10-G298 PolarHBondContact OH-N 2.75Å; G298-E304 PolarHBondContact N-OE2 2.84Å |
| 299 | K | 88.9 | Confident | 95 | Very high | 79 Ų | 79 | 20 Ų | 20 | 34% | 0.343 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -145.8 | 132.8 | -174.6 | -172.1 | -177.9 | -178.3 | -171.6 | 0 | 111.1 | C296 Y302 E320 | C296-K299 PolarHBondContact SG-O 3.12Å; K299-Y302 HydrophobicContact CB-CD2 4.37Å; K299-Y302 HydrophobicContact CD-CD2 3.9Å; K299-Y302 HydrophobicContact CD-CE2 3.97Å; K299-Y302 HydrophobicContact CG-CD2 4.19Å; K299-Y302 PolarHBondContact O-N 3.31Å; K299-E320 VanDerWaalsContact CD-CD 3.44Å; K299-E320 WeakPolarHBondContact CD-OE1 3.38Å; K299-E320 VanDerWaalsContact CD-OE2 3.3Å; K299-E320 WeakPolarHBondContact CD-OE2 3.39Å; K299-E320 WeakPolarHBondContact CE-OE1 3.36Å; K299-E320 IonicContact NZ-OE1 2.88Å; K299-E320 PolarHBondContact NZ-OE1 2.9Å |
| 300 | D | 87.3 | Confident | 95 | Very high | 84 Ų | 84 | 20.6 Ų | 20.6 | 45% | 0.449 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 143.2 | 178.3 | -66.8 | -20.1 | 0 | 0 | 0 | 111.4 | T32 Y302 | T32-D300 VanDerWaalsContact CB-OD1 3.3Å; T32-D300 WeakPolarHBondContact CB-OD1 3.41Å; T32-D300 WeakPolarHBondContact CG2-OD1 3.42Å; T32-D300 PolarHBondContact N-OD1 3.48Å; T32-D300 PolarHBondContact OG1-OD1 3.28Å; D300-Y302 PolarHBondContact O-N 3.04Å |
| 301 | S | 88.2 | Confident | 94.8 | Very high | 76 Ų | 76 | 20.6 Ų | 20.6 | 53% | 0.531 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -2.7 | 178.1 | -46.9 | 0 | 0 | 0 | 0 | 117.7 | R30 | R30-S301 PolarHBondContact O-N 3.07Š|
| 302 | Y | 91.6 | Very high | 94.7 | Very high | 79 Ų | 79 | 20.5 Ų | 20.5 | 31% | 0.31 | 11% | 0.112 | S | C | . | . | trans | -104.9 | 115.3 | 169.6 | -67.8 | -84.4 | 0 | 0 | 0 | 109.2 | C296 K299 D300 E320 | C296-Y302 PolarHBondContact SG-O 3.19Å; K299-Y302 HydrophobicContact CB-CD2 4.37Å; K299-Y302 HydrophobicContact CD-CD2 3.9Å; K299-Y302 HydrophobicContact CD-CE2 3.97Å; K299-Y302 HydrophobicContact CG-CD2 4.19Å; K299-Y302 PolarHBondContact O-N 3.31Å; D300-Y302 PolarHBondContact O-N 3.04Å; Y302-E320 VanDerWaalsContact CD1-CA 3.47Å; Y302-E320 HydrophobicContact CD1-CB 3.83Å; Y302-E320 HydrophobicContact CD1-CG 4.43Å; Y302-E320 HydrophobicContact CD2-CB 4.31Å; Y302-E320 HydrophobicContact CD2-CG 4.46Å; Y302-E320 HydrophobicContact CE1-CB 4.27Å; Y302-E320 HydrophobicContact CE1-CG 4.42Å; Y302-E320 HydrophobicContact CE2-CG 4.46Å; Y302-E320 HydrophobicContact CG-CB 3.83Å; Y302-E320 HydrophobicContact CG-CG 4.42Å | ||
| 303 | D | 94.2 | Very high | 94.6 | Very high | 23 Ų | 23 | 24.6 Ų | 24.6 | 12% | 0.123 | 13% | 0.127 | C | C | . | . | trans | -71.6 | 144.6 | 175.2 | -64.5 | -40.7 | 0 | 0 | 0 | 108.9 | R30 F247 I249 G295 T319 | R30-D303 IonicContact CZ-OD2 3.55Å; R30-D303 IonicContact NE-OD2 2.66Å; R30-D303 IonicContact NH2-OD2 2.76Å; R30-D303 PolarHBondContact NH2-OD2 2.88Å; F247-D303 HydrophobicContact CE1-CB 3.95Å; F247-D303 HydrophobicContact CZ-CB 4.09Å; I249-D303 HydrophobicContact CD1-CB 3.87Å; G295-D303 CarbonylContact O-C 3.55Å; G295-D303 WeakPolarHBondContact O-CA 3.28Å; D303-T319 PolarHBondContact N-OG1 2.98Å; D303-T319 WeakPolarHBondContact O-CB 3.46Å; D303-T319 WeakPolarHBondContact O-CG2 3.47Å; D303-T319 PolarHBondContact O-N 3.3Å; D303-T319 PolarHBondContact O-OG1 3.24Å | ||
| 304 | E | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 158.3 | -174.7 | 66.6 | -177.9 | -113.7 | 0 | 0 | 112 | Y10 G294 G295 V297 G298 V306 L317 | Y10-E304 WeakPolarHBondContact CE2-OE1 3.43Å; Y10-E304 PolarHBondContact OH-OE1 2.82Å; Y10-E304 PolarHBondContact OH-OE2 2.86Å; G294-E304 WeakPolarHBondContact CA-O 3.02Å; G295-E304 PolarHBondContact N-O 2.96Å; G295-E304 WeakPolarHBondContact O-CG 3.44Å; G295-E304 PolarHBondContact O-N 3.05Å; V297-E304 VanDerWaalsContact CB-OE1 3.24Å; V297-E304 WeakPolarHBondContact CB-OE1 3.48Å; V297-E304 PolarHBondContact N-OE1 2.85Å; V297-E304 PolarHBondContact N-OE2 2.89Å; G298-E304 PolarHBondContact N-OE2 2.84Å; E304-V306 HydrophobicContact CG-CG2 4.08Å; E304-V306 VanDerWaalsContact OE1-CG2 3.23Å; E304-V306 WeakPolarHBondContact OE1-CG2 3.49Å; E304-L317 CarbonylContact C-O 3.57Å; E304-L317 VanDerWaalsContact CA-O 3.25Å; E304-L317 WeakPolarHBondContact CA-O 3.38Å; E304-L317 WeakPolarHBondContact CB-O 3.25Å |
| 305 | I | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.6 | 168.8 | -55.3 | 172.9 | 0 | 0 | 0 | 107.9 | L5 I249 L258 V268 I292 Q293 V307 G316 L317 | L5-I305 HydrophobicContact CD1-CD1 3.53Å; L5-I305 HydrophobicContact CD1-CG1 4.22Å; I249-I305 HydrophobicContact CD1-CG1 4.41Å; I249-I305 HydrophobicContact CG1-CD1 4.49Å; I249-I305 HydrophobicContact CG1-CG1 4.29Å; L258-I305 HydrophobicContact CD1-CG1 4.11Å; L258-I305 HydrophobicContact CD1-CG2 4.22Å; L258-I305 HydrophobicContact CD2-CD1 3.85Å; L258-I305 HydrophobicContact CD2-CG1 4.23Å; V268-I305 HydrophobicContact CG2-CD1 3.43Å; V268-I305 VanDerWaalsContact CG2-CD1 3.43Å; I292-I305 HydrophobicContact CD1-CG2 3.79Å; I292-I305 HydrophobicContact CG1-CG2 3.58Å; Q293-I305 CarbonylContact O-C 3.6Å; I305-V307 HydrophobicContact CG2-CG2 3.91Å; I305-G316 CarbonylContact O-C 3.49Å; I305-G316 WeakPolarHBondContact O-CA 3.22Å; I305-L317 HydrophobicContact CB-CB 4.23Å; I305-L317 PolarHBondContact N-O 3.21Å; I305-L317 PolarHBondContact O-N 2.8Å |
| 306 | V | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | M21 L23 V35 I292 Q293 V297 E304 V314 | M21-V306 HydrophobicContact CE-CB 4.18Å; M21-V306 HydrophobicContact CE-CG1 3.91Å; M21-V306 VanDerWaalsContact CE-O 3.3Å; M21-V306 WeakPolarHBondContact CE-O 3.42Å; M21-V306 HydrophobicContact SD-CG1 4.21Å; L23-V306 HydrophobicContact CD1-CB 4.45Å; L23-V306 HydrophobicContact CD1-CG2 4.06Å; L23-V306 HydrophobicContact CD2-CB 4.3Å; L23-V306 HydrophobicContact CD2-CG1 4.36Å; L23-V306 HydrophobicContact CD2-CG2 4.12Å; V35-V306 HydrophobicContact CG2-CG1 4.41Å; I292-V306 CarbonylContact C-O 3.58Å; I292-V306 WeakPolarHBondContact CA-O 3.26Å; Q293-V306 PolarHBondContact N-O 2.79Å; Q293-V306 PolarHBondContact O-N 2.97Å; V297-V306 HydrophobicContact CB-CG2 4.36Å; V297-V306 HydrophobicContact CG2-CG2 3.71Å; E304-V306 HydrophobicContact CG-CG2 4.08Å; E304-V306 VanDerWaalsContact OE1-CG2 3.23Å; E304-V306 WeakPolarHBondContact OE1-CG2 3.49Å; V306-V314 HydrophobicContact CG1-CG1 3.87Å |
| 307 | V | 98.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138 | -176.1 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | V266 L285 V289 S291 I292 I305 V314 T315 | V266-V307 HydrophobicContact CG2-CG1 4.32Å; V266-V307 HydrophobicContact CG2-CG2 4.1Å; L285-V307 HydrophobicContact CD1-CB 4.43Å; L285-V307 HydrophobicContact CD1-CG1 3.84Å; V289-V307 HydrophobicContact CB-CG1 4.18Å; V289-V307 HydrophobicContact CG1-CG1 3.35Å; V289-V307 HydrophobicContact CG2-CG1 3.83Å; S291-V307 WeakPolarHBondContact O-CA 3.26Å; I292-V307 HydrophobicContact CG1-CG2 4.27Å; I305-V307 HydrophobicContact CG2-CG2 3.91Å; V307-V314 WeakPolarHBondContact O-CA 3.26Å; V307-T315 PolarHBondContact N-O 3.32Å; V307-T315 PolarHBondContact O-N 3.24Å |
| 308 | S | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.3 | 167.3 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | I37 T290 S291 W313 | I37-S308 WeakPolarHBondContact CD1-OG 3.38Å; T290-S308 PolarHBondContact N-O 2.94Å; T290-S308 PolarHBondContact OG1-O 2.98Å; T290-S308 VanDerWaalsContact OG1-O 3.13Å; T290-S308 PolarHBondContact OG1-OG 2.82Å; S291-S308 PolarHBondContact N-O 3.01Å; S291-S308 PolarHBondContact O-N 3.3Å; S308-W313 WeakPolarHBondContact CA-O 3.45Å |
| 309 | T | 97.6 | Very high | 95 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 4% | 0.043 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 168.2 | 173.6 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | T16 L285 E287 S288 S311 G312 W313 | T16-T309 PolarHBondContact OG1-O 2.73Å; L285-T309 HydrophobicContact CD1-CG2 4.22Å; E287-T309 HydrophobicContact CB-CG2 4.44Å; E287-T309 VanDerWaalsContact OE2-CB 3.25Å; E287-T309 WeakPolarHBondContact OE2-CB 3.46Å; E287-T309 PolarHBondContact OE2-OG1 3.19Å; S288-T309 CarbonylContact O-C 3.54Å; S288-T309 VanDerWaalsContact O-CA 3.3Å; S288-T309 WeakPolarHBondContact O-CA 3.37Å; T309-S311 PolarHBondContact O-N 2.9Å; T309-G312 PolarHBondContact O-N 3.3Å; T309-W313 HydrophobicContact CG2-CB 4.35Å; T309-W313 PolarHBondContact N-O 2.83Å; T309-W313 WeakPolarHBondContact OG1-CB 3.13Å; T309-W313 PolarHBondContact OG1-N 3.28Å |
| 310 | Y | 96.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 22.8 Ų | 22.8 | 5% | 0.047 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -46.1 | 179.2 | 175.4 | -107.6 | 0 | 0 | 0 | 113.3 | V15 T16 S288 G312 G380 N382 E399 | V15-Y310 CarbonylContact C-O 3.56Å; V15-Y310 VanDerWaalsContact CA-O 3.26Å; V15-Y310 WeakPolarHBondContact CA-O 3.15Å; V15-Y310 HydrophobicContact CG1-CD1 4.35Å; V15-Y310 HydrophobicContact CG1-CD2 3.74Å; V15-Y310 HydrophobicContact CG1-CE1 3.99Å; V15-Y310 HydrophobicContact CG1-CE2 3.29Å; V15-Y310 HydrophobicContact CG1-CG 4.25Å; V15-Y310 VanDerWaalsContact CG1-CZ 3.44Å; V15-Y310 VanDerWaalsContact CG1-O 3.3Å; V15-Y310 WeakPolarHBondContact CG1-O 3.09Å; T16-Y310 PolarHBondContact N-O 2.8Å; S288-Y310 PolarHBondContact O-N 3.33Å; Y310-G312 PolarHBondContact O-N 3.32Å; Y310-G312 VanDerWaalsContact O-N 3.16Å; Y310-G380 PolarHBondContact OH-O 3.12Å; Y310-N382 HydrophobicContact CD2-CB 4.25Å; Y310-N382 HydrophobicContact CE1-CB 4.24Å; Y310-N382 HydrophobicContact CE2-CB 3.57Å; Y310-N382 PolarHBondContact OH-N 3.33Å; Y310-E399 WeakPolarHBondContact CB-OE1 3.47Å; Y310-E399 HydrophobicContact CD1-CG 3.58Å; Y310-E399 HydrophobicContact CE1-CG 3.93Å; Y310-E399 HydrophobicContact CG-CG 4.24Å |
| 311 | S | 95.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 3.5 | 179.3 | 79.8 | 0 | 0 | 0 | 0 | 114.1 | Q12 E287 T309 W313 | Q12-S311 PolarHBondContact NE2-O 3.13Å; E287-S311 VanDerWaalsContact OE1-CB 3.28Å; E287-S311 WeakPolarHBondContact OE1-CB 3.44Å; E287-S311 PolarHBondContact OE1-OG 3.18Å; E287-S311 VanDerWaalsContact OE2-CB 3.24Å; E287-S311 WeakPolarHBondContact OE2-CB 3.5Å; E287-S311 PolarHBondContact OE2-N 3.4Å; E287-S311 PolarHBondContact OE2-OG 2.9Å; T309-S311 PolarHBondContact O-N 2.9Å; S311-W313 VanDerWaalsContact OG-CD1 3.22Å |
| 312 | G | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | 92.8 | 12.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q12 V13 G14 T309 Y310 V314 | Q12-G312 CarbonylContact C-O 3.59Å; Q12-G312 WeakPolarHBondContact CA-O 3.44Å; V13-G312 WeakPolarHBondContact CG2-O 3.17Å; V13-G312 PolarHBondContact N-O 2.79Å; G14-G312 WeakPolarHBondContact O-CA 3.44Å; T309-G312 PolarHBondContact O-N 3.3Å; Y310-G312 PolarHBondContact O-N 3.32Å; Y310-G312 VanDerWaalsContact O-N 3.16Å; G312-V314 PolarHBondContact O-N 3.28Å | ||
| 313 | W | 96.9 | Very high | 92.7 | Very high | 93 Ų | 93 | 26.9 Ų | 26.9 | 35% | 0.352 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 125.8 | 170.7 | -74.2 | 99.1 | 0 | 0 | 0 | 110.4 | D9 Q12 S308 T309 S311 | D9-W313 HydrophobicContact CB-CE3 4.35Å; D9-W313 HydrophobicContact CB-CZ3 4.33Å; Q12-W313 HydrophobicContact CB-CD2 4.12Å; Q12-W313 HydrophobicContact CB-CE3 4.07Å; Q12-W313 HydrophobicContact CB-CH2 4.37Å; Q12-W313 HydrophobicContact CB-CZ2 4.41Å; Q12-W313 HydrophobicContact CB-CZ3 4.2Å; Q12-W313 VanDerWaalsContact CD-CE2 3.48Å; Q12-W313 HydrophobicContact CG-CD2 3.99Å; Q12-W313 HydrophobicContact CG-CE3 4.46Å; Q12-W313 HydrophobicContact CG-CG 4.22Å; Q12-W313 HydrophobicContact CG-CZ2 4.38Å; S308-W313 WeakPolarHBondContact CA-O 3.45Å; T309-W313 HydrophobicContact CG2-CB 4.35Å; T309-W313 PolarHBondContact N-O 2.83Å; T309-W313 WeakPolarHBondContact OG1-CB 3.13Å; T309-W313 PolarHBondContact OG1-N 3.28Å; S311-W313 VanDerWaalsContact OG-CD1 3.22Å |
| 314 | V | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 112.3 | 168.9 | -169 | 0 | 0 | 0 | 0 | 108.3 | Y10 L11 V35 I37 F47 V306 V307 G312 | Y10-V314 WeakPolarHBondContact CB-O 3.48Å; Y10-V314 HydrophobicContact CD2-CG1 4.26Å; Y10-V314 PolarHBondContact N-O 2.74Å; L11-V314 PolarHBondContact O-N 2.95Å; V35-V314 HydrophobicContact CG1-CG1 4.27Å; I37-V314 HydrophobicContact CD1-CG2 3.54Å; F47-V314 HydrophobicContact CE1-CG1 4.42Å; F47-V314 HydrophobicContact CE1-CG2 4.45Å; F47-V314 HydrophobicContact CZ-CB 4.34Å; F47-V314 HydrophobicContact CZ-CG1 3.99Å; V306-V314 HydrophobicContact CG1-CG1 3.87Å; V307-V314 WeakPolarHBondContact O-CA 3.26Å; G312-V314 PolarHBondContact O-N 3.28Å |
| 315 | T | 96.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 134.5 | -172.8 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | R7 M8 D9 V307 L317 | R7-T315 HydrophobicContact CG-CG2 3.61Å; M8-T315 CarbonylContact O-C 3.6Å; D9-T315 WeakPolarHBondContact OD1-CB 3.32Å; D9-T315 WeakPolarHBondContact OD1-CG2 3.37Å; D9-T315 PolarHBondContact OD1-OG1 2.91Å; V307-T315 PolarHBondContact N-O 3.32Å; V307-T315 PolarHBondContact O-N 3.24Å; T315-L317 HydrophobicContact CG2-CD2 4.43Å |
| 316 | G | 96.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 139.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R7 M8 I305 | R7-G316 CarbonylContact C-O 3.55Å; R7-G316 WeakPolarHBondContact CA-O 3.29Å; M8-G316 PolarHBondContact N-O 3.02Å; M8-G316 PolarHBondContact O-N 3.15Å; I305-G316 CarbonylContact O-C 3.49Å; I305-G316 WeakPolarHBondContact O-CA 3.22Å |
| 317 | L | 96.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 95.6 | 164.8 | -53.4 | -178.1 | 0 | 0 | 0 | 106.9 | L5 N6 R7 V266 F281 Q283 E304 I305 T315 | L5-L317 HydrophobicContact CB-CB 3.93Å; L5-L317 HydrophobicContact CD1-CB 4.18Å; N6-L317 CarbonylContact O-C 3.59Å; N6-L317 WeakPolarHBondContact O-CA 3.45Å; R7-L317 HydrophobicContact CB-CD2 4.12Å; R7-L317 HydrophobicContact CG-CD2 4.34Å; V266-L317 HydrophobicContact CB-CD1 4.37Å; V266-L317 HydrophobicContact CG1-CD1 3.94Å; F281-L317 HydrophobicContact CE1-CD1 3.96Å; F281-L317 HydrophobicContact CZ-CD1 4.35Å; Q283-L317 VanDerWaalsContact OE1-CD2 3.25Å; E304-L317 CarbonylContact C-O 3.57Å; E304-L317 VanDerWaalsContact CA-O 3.25Å; E304-L317 WeakPolarHBondContact CA-O 3.38Å; E304-L317 WeakPolarHBondContact CB-O 3.25Å; I305-L317 HydrophobicContact CB-CB 4.23Å; I305-L317 PolarHBondContact N-O 3.21Å; I305-L317 PolarHBondContact O-N 2.8Å; T315-L317 HydrophobicContact CG2-CD2 4.43Å |
| 318 | T | 94.6 | Very high | 80.6 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 148.3 | -168.1 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | L5 N6 M8 E320 | L5-T318 WeakPolarHBondContact CA-O 3.23Å; N6-T318 HydrophobicContact CB-CG2 4.17Å; N6-T318 PolarHBondContact N-O 3.45Å; N6-T318 WeakPolarHBondContact O-CG2 3.39Å; N6-T318 PolarHBondContact O-N 3.35Å; M8-T318 HydrophobicContact CE-CG2 4.3Å; T318-E320 HydrophobicContact CG2-CB 3.92Å; T318-E320 PolarHBondContact O-N 3.12Å; T318-E320 PolarHBondContact OG1-N 2.68Å; T318-E320 VanDerWaalsContact OG1-N 3.13Å |
| 319 | T | 93.1 | Very high | 78.4 | Confident | 48 Ų | 48 | 60.8 Ų | 60.8 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -74.5 | -6.9 | 168.5 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | L5 I249 D303 P321 | L5-T319 HydrophobicContact CD2-CG2 3.67Å; I249-T319 HydrophobicContact CD1-CG2 4.1Å; D303-T319 PolarHBondContact N-OG1 2.98Å; D303-T319 WeakPolarHBondContact O-CB 3.46Å; D303-T319 WeakPolarHBondContact O-CG2 3.47Å; D303-T319 PolarHBondContact O-N 3.3Å; D303-T319 PolarHBondContact O-OG1 3.24Å; T319-P321 WeakPolarHBondContact O-CD 3.37Å |
| 320 | E | 89.8 | Confident | 75.8 | Confident | 43 Ų | 43 | 67 Ų | 67 | 20% | 0.201 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -63.9 | 126.5 | 175.5 | -176.3 | 171.1 | -160.3 | 0 | 0 | 111.1 | N6 K299 Y302 T318 I322 | N6-E320 PolarHBondContact ND2-O 3.5Å; K299-E320 VanDerWaalsContact CD-CD 3.44Å; K299-E320 WeakPolarHBondContact CD-OE1 3.38Å; K299-E320 VanDerWaalsContact CD-OE2 3.3Å; K299-E320 WeakPolarHBondContact CD-OE2 3.39Å; K299-E320 WeakPolarHBondContact CE-OE1 3.36Å; K299-E320 IonicContact NZ-OE1 2.88Å; K299-E320 PolarHBondContact NZ-OE1 2.9Å; Y302-E320 VanDerWaalsContact CD1-CA 3.47Å; Y302-E320 HydrophobicContact CD1-CB 3.83Å; Y302-E320 HydrophobicContact CD1-CG 4.43Å; Y302-E320 HydrophobicContact CD2-CB 4.31Å; Y302-E320 HydrophobicContact CD2-CG 4.46Å; Y302-E320 HydrophobicContact CE1-CB 4.27Å; Y302-E320 HydrophobicContact CE1-CG 4.42Å; Y302-E320 HydrophobicContact CE2-CG 4.46Å; Y302-E320 HydrophobicContact CG-CB 3.83Å; Y302-E320 HydrophobicContact CG-CG 4.42Å; T318-E320 HydrophobicContact CG2-CB 3.92Å; T318-E320 PolarHBondContact O-N 3.12Å; T318-E320 PolarHBondContact OG1-N 2.68Å; T318-E320 VanDerWaalsContact OG1-N 3.13Å; E320-I322 PolarHBondContact O-N 2.62Å |
| 321 | P | 83.2 | Confident | 73.2 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | trans | -65.9 | 120.9 | 172.4 | -18.7 | 31.3 | 0 | 0 | 0 | 111.1 | T319 H323 | T319-P321 WeakPolarHBondContact O-CD 3.37Å; P321-H323 PolarHBondContact O-N 2.8Å | ||
| 322 | I | 69.7 | Low | 70.7 | Confident | 108 Ų | 108 | 81.8 Ų | 81.8 | 55% | 0.554 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -64.9 | -27.8 | 177.9 | -64.3 | 168.8 | 0 | 0 | 0 | 111.4 | N6 E320 | N6-I322 HydrophobicContact CB-CD1 3.46Å; N6-I322 VanDerWaalsContact CB-CD1 3.46Å; N6-I322 HydrophobicContact CB-CG1 3.64Å; E320-I322 PolarHBondContact O-N 2.62Å |
| 323 | H | 64.4 | Low | 68.3 | Low | 142 Ų | 142 | 90.4 Ų | 90.4 | 66% | 0.657 | 49% | 0.486 | S | S | * | . | trans | -116.9 | 111.3 | -178 | -67.2 | -124.5 | 0 | 0 | 0 | 109.8 | P321 | P321-H323 PolarHBondContact O-N 2.8Š| ||
| 324 | K | 55 | Low | 66.2 | Low | 178 Ų | 178 | 92.3 Ų | 92.3 | 77% | 0.774 | 50% | 0.497 | S | S | * | . | trans | -73.9 | 125.3 | 159.2 | -66.6 | 179.3 | -177.7 | 175.3 | 0 | 106.6 | S326 | K324-S326 PolarHBondContact O-N 2.83Å; K324-S326 VanDerWaalsContact O-N 3.08Å | ||
| 325 | E | 41.3 | Very low | 64.8 | Low | 197 Ų | 197 | 96.8 Ų | 96.8 | 92% | 0.921 | 52% | 0.521 | S | S | * | . | trans | -42.4 | 114.4 | -177.4 | -66.5 | 178.1 | 158.9 | 0 | 0 | 112.2 | ||||
| 326 | S | 46.2 | Very low | 63.6 | Low | 86 Ų | 86 | 103.6 Ų | 103.6 | 60% | 0.601 | 55% | 0.553 | S | S | * | * | trans | -79 | 132.8 | 167.7 | -60.1 | 0 | 0 | 0 | 0 | 108.8 | K324 | K324-S326 PolarHBondContact O-N 2.83Å; K324-S326 VanDerWaalsContact O-N 3.08Å | ||
| 327 | G | 48.3 | Very low | 62.4 | Low | 44 Ų | 44 | 110 Ų | 110 | 45% | 0.454 | 58% | 0.583 | S | S | . | * | trans | -64 | 163.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G329 | G327-G329 PolarHBondContact O-N 3.28Å; G327-G329 VanDerWaalsContact O-N 3.13Å | ||
| 328 | P | 39.9 | Very low | 61.3 | Low | 148 Ų | 148 | 114.9 Ų | 114.9 | 96% | 0.961 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 115.6 | -176.9 | 26.3 | -31.1 | 0 | 0 | 0 | 110.4 | ||
| 329 | G | 50.8 | Low | 60.7 | Low | 83 Ų | 83 | 119.7 Ų | 119.7 | 86% | 0.856 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.5 | -2.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G327 | G327-G329 PolarHBondContact O-N 3.28Å; G327-G329 VanDerWaalsContact O-N 3.13Å |
| 330 | E | 44.3 | Very low | 60.2 | Low | 139 Ų | 139 | 122.2 Ų | 122.2 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | trans | -89.8 | 114.7 | 169.9 | -68.7 | -170 | 150.8 | 0 | 0 | 110.4 | ||||
| 331 | E | 41.8 | Very low | 59.8 | Low | 170 Ų | 170 | 126.3 Ų | 126.3 | 79% | 0.794 | 66% | 0.658 | S | S | * | * | trans | -52.1 | 141.4 | 163.9 | -69.7 | -179.2 | 160.2 | 0 | 0 | 109.5 | K333 | E331-K333 PolarHBondContact O-N 2.67Š| ||
| 332 | L | 43.4 | Very low | 60 | Low | 158 Ų | 158 | 125.7 Ų | 125.7 | 83% | 0.827 | 65% | 0.65 | S | S | * | * | trans | -56.2 | 80.7 | 175.8 | -76.6 | 156.5 | 0 | 0 | 0 | 110.8 | F334 | L332-F334 PolarHBondContact O-N 2.74Š| ||
| 333 | K | 45.1 | Very low | 61 | Low | 180 Ų | 180 | 123.3 Ų | 123.3 | 78% | 0.783 | 64% | 0.642 | S | S | * | * | trans | -70.3 | 114.6 | 172.2 | -73.5 | 179.6 | -178.2 | 172.2 | 0 | 106.9 | E331 N335 | E331-K333 PolarHBondContact O-N 2.67Å; K333-N335 PolarHBondContact O-N 3.18Å; K333-N335 VanDerWaalsContact O-N 3.16Å | ||
| 334 | F | 52.3 | Low | 62.1 | Low | 133 Ų | 133 | 119.9 Ų | 119.9 | 58% | 0.583 | 64% | 0.635 | S | S | * | * | trans | -41.8 | 124.7 | 165.3 | -79.8 | -87.9 | 0 | 0 | 0 | 109 | L332 Q336 M338 Q339 | L332-F334 PolarHBondContact O-N 2.74Å; F334-Q336 PolarHBondContact O-N 3.34Å; F334-M338 HydrophobicContact CD1-SD 3.84Å; F334-M338 HydrophobicContact CE1-SD 4.33Å; F334-Q339 HydrophobicContact CB-CG 3.98Å | ||
| 335 | N | 67.8 | Low | 63.8 | Low | 95 Ų | 95 | 115.9 Ų | 115.9 | 51% | 0.508 | 62% | 0.621 | S | S | . | * | trans | -50.2 | 130.7 | 178.6 | -177.4 | 6.7 | 0 | 0 | 0 | 108.6 | K333 E337 M338 Q339 | K333-N335 PolarHBondContact O-N 3.18Å; K333-N335 VanDerWaalsContact O-N 3.16Å; N335-E337 PolarHBondContact ND2-OE2 3.44Å; N335-E337 PolarHBondContact O-N 2.75Å; N335-M338 WeakPolarHBondContact O-CA 3.44Å; N335-M338 WeakPolarHBondContact O-CB 3.18Å; N335-M338 PolarHBondContact O-N 3.21Å; N335-Q339 PolarHBondContact O-N 3.28Å | ||
| 336 | Q | 71.4 | Confident | 66.3 | Low | 144 Ų | 144 | 114.3 Ų | 114.3 | 67% | 0.673 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -55.9 | -29.5 | -174.6 | -169 | 164.3 | 10.6 | 0 | 0 | 112 | F334 Q339 N340 | F334-Q336 PolarHBondContact O-N 3.34Å; Q336-Q339 PolarHBondContact O-N 2.89Å; Q336-N340 VanDerWaalsContact O-CG 3.26Å; Q336-N340 PolarHBondContact O-N 2.98Å; Q336-N340 PolarHBondContact O-ND2 3.49Å |
| 337 | E | 71.3 | Confident | 68.5 | Low | 134 Ų | 134 | 115.3 Ų | 115.3 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.7 | -41.2 | 172.1 | -65.5 | 174.4 | 158.6 | 0 | 0 | 113 | N335 Q339 N340 K341 | N335-E337 PolarHBondContact ND2-OE2 3.44Å; N335-E337 PolarHBondContact O-N 2.75Å; E337-Q339 VanDerWaalsContact C-N 3.35Å; E337-N340 PolarHBondContact O-N 3.13Å; E337-K341 WeakPolarHBondContact O-CB 3.36Å; E337-K341 PolarHBondContact O-N 3.01Å |
| 338 | M | 74.2 | Confident | 70.7 | Confident | 103 Ų | 103 | 118.4 Ų | 118.4 | 51% | 0.507 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66 | -39.6 | 177.3 | -170.1 | 176.7 | -172.7 | 0 | 0 | 111 | F334 N335 K341 I342 | F334-M338 HydrophobicContact CD1-SD 3.84Å; F334-M338 HydrophobicContact CE1-SD 4.33Å; N335-M338 WeakPolarHBondContact O-CA 3.44Å; N335-M338 WeakPolarHBondContact O-CB 3.18Å; N335-M338 PolarHBondContact O-N 3.21Å; M338-K341 PolarHBondContact O-N 3.45Å; M338-I342 HydrophobicContact CG-CD1 4.15Å; M338-I342 VanDerWaalsContact O-CG1 3.26Å; M338-I342 WeakPolarHBondContact O-CG1 3.23Å; M338-I342 PolarHBondContact O-N 3.36Å |
| 339 | Q | 81.1 | Confident | 73.3 | Confident | 106 Ų | 106 | 115.8 Ų | 115.8 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.1 | -42.2 | 175.3 | -66.9 | -173.6 | -16.2 | 0 | 0 | 111.9 | F334 N335 Q336 E337 I342 S343 | F334-Q339 HydrophobicContact CB-CG 3.98Å; N335-Q339 PolarHBondContact O-N 3.28Å; Q336-Q339 PolarHBondContact O-N 2.89Å; E337-Q339 VanDerWaalsContact C-N 3.35Å; Q339-I342 PolarHBondContact O-N 2.91Å; Q339-S343 PolarHBondContact O-N 3Å; Q339-S343 PolarHBondContact O-OG 3.07Å |
| 340 | N | 83 | Confident | 75.4 | Confident | 101 Ų | 101 | 117.8 Ų | 117.8 | 54% | 0.54 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.9 | -39.4 | 175.5 | -70 | -16.3 | 0 | 0 | 0 | 112.3 | Q336 E337 S343 S344 | Q336-N340 VanDerWaalsContact O-CG 3.26Å; Q336-N340 PolarHBondContact O-N 2.98Å; Q336-N340 PolarHBondContact O-ND2 3.49Å; E337-N340 PolarHBondContact O-N 3.13Å; N340-S343 PolarHBondContact O-N 3.2Å; N340-S343 PolarHBondContact O-OG 3.08Å; N340-S344 WeakPolarHBondContact O-CB 3.28Å; N340-S344 PolarHBondContact O-N 2.85Å |
| 341 | K | 81.3 | Confident | 77.8 | Confident | 128 Ų | 128 | 117 Ų | 117 | 56% | 0.557 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64 | -44.1 | 175.6 | -169.3 | 172 | -176.6 | 175.5 | 0 | 111.2 | E337 M338 S343 S344 L345 | E337-K341 WeakPolarHBondContact O-CB 3.36Å; E337-K341 PolarHBondContact O-N 3.01Å; M338-K341 PolarHBondContact O-N 3.45Å; K341-S343 PolarHBondContact O-N 2.76Å; K341-S344 PolarHBondContact O-N 2.95Å; K341-L345 HydrophobicContact CG-CD1 4.19Å; K341-L345 WeakPolarHBondContact O-CB 3.34Å; K341-L345 VanDerWaalsContact O-CG 3.28Å; K341-L345 WeakPolarHBondContact O-CG 3.47Å; K341-L345 PolarHBondContact O-N 3.43Å |
| 342 | I | 87.6 | Confident | 80.4 | Confident | 63 Ų | 63 | 113 Ų | 113 | 32% | 0.323 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -42.5 | 177 | -69.6 | 166.7 | 0 | 0 | 0 | 111.2 | M338 Q339 L345 R346 | M338-I342 HydrophobicContact CG-CD1 4.15Å; M338-I342 VanDerWaalsContact O-CG1 3.26Å; M338-I342 WeakPolarHBondContact O-CG1 3.23Å; M338-I342 PolarHBondContact O-N 3.36Å; Q339-I342 PolarHBondContact O-N 2.91Å; I342-L345 PolarHBondContact O-N 2.85Å; I342-R346 WeakPolarHBondContact O-CG 3.4Å; I342-R346 PolarHBondContact O-N 3.21Å |
| 343 | S | 89.9 | Confident | 82.8 | Confident | 57 Ų | 57 | 110.5 Ų | 110.5 | 40% | 0.399 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 179.1 | 65.3 | 0 | 0 | 0 | 0 | 112.2 | Q339 N340 K341 R346 N347 | Q339-S343 PolarHBondContact O-N 3Å; Q339-S343 PolarHBondContact O-OG 3.07Å; N340-S343 PolarHBondContact O-N 3.2Å; N340-S343 PolarHBondContact O-OG 3.08Å; K341-S343 PolarHBondContact O-N 2.76Å; S343-R346 PolarHBondContact O-N 3.19Å; S343-N347 PolarHBondContact O-N 2.94Å; S343-N347 VanDerWaalsContact O-N 3.14Å |
| 344 | S | 88.6 | Confident | 85.2 | Confident | 71 Ų | 71 | 109.5 Ų | 109.5 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 173.7 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | N340 K341 R346 N347 E348 | N340-S344 WeakPolarHBondContact O-CB 3.28Å; N340-S344 PolarHBondContact O-N 2.85Å; K341-S344 PolarHBondContact O-N 2.95Å; S344-R346 VanDerWaalsContact C-N 3.31Å; S344-R346 PolarHBondContact O-N 2.89Å; S344-N347 PolarHBondContact O-N 2.94Å; S344-E348 PolarHBondContact O-N 3.36Å |
| 345 | L | 89.6 | Confident | 87.3 | Confident | 93 Ų | 93 | 108.6 Ų | 108.6 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | 178.5 | -73.4 | 171 | 0 | 0 | 0 | 112.5 | K341 I342 L349 | K341-L345 HydrophobicContact CG-CD1 4.19Å; K341-L345 WeakPolarHBondContact O-CB 3.34Å; K341-L345 VanDerWaalsContact O-CG 3.28Å; K341-L345 WeakPolarHBondContact O-CG 3.47Å; K341-L345 PolarHBondContact O-N 3.43Å; I342-L345 PolarHBondContact O-N 2.85Å; L345-L349 WeakPolarHBondContact O-CB 3.5Å; L345-L349 PolarHBondContact O-N 2.93Å |
| 346 | R | 93.4 | Very high | 88.6 | Confident | 165 Ų | 165 | 107.3 Ų | 107.3 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.6 | -47.2 | 174.9 | -76.2 | 176.1 | -179.3 | 179.6 | 1.2 | 111.8 | I342 S343 S344 E348 L349 E350 | I342-R346 WeakPolarHBondContact O-CG 3.4Å; I342-R346 PolarHBondContact O-N 3.21Å; S343-R346 PolarHBondContact O-N 3.19Å; S344-R346 VanDerWaalsContact C-N 3.31Å; S344-R346 PolarHBondContact O-N 2.89Å; R346-E348 VanDerWaalsContact C-N 3.35Å; R346-E348 PolarHBondContact O-N 2.84Å; R346-L349 PolarHBondContact O-N 3.2Å; R346-E350 WeakPolarHBondContact O-CG 3.47Å; R346-E350 PolarHBondContact O-N 2.5Å |
| 347 | N | 94.1 | Very high | 89.7 | Confident | 107 Ų | 107 | 105 Ų | 105 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 178.6 | -67.9 | -17.4 | 0 | 0 | 0 | 111.8 | S343 S344 E350 H351 | S343-N347 PolarHBondContact O-N 2.94Å; S343-N347 VanDerWaalsContact O-N 3.14Å; S344-N347 PolarHBondContact O-N 2.94Å; N347-E350 PolarHBondContact O-N 3.26Å; N347-H351 PolarHBondContact O-N 3.46Å; N347-H351 VanDerWaalsContact O-N 3.11Å |
| 348 | E | 93.1 | Very high | 90.9 | Very high | 109 Ų | 109 | 102.8 Ų | 102.8 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.7 | -174.3 | 175.4 | -173.2 | 0 | 0 | 111.5 | S344 R346 H351 L352 | S344-E348 PolarHBondContact O-N 3.36Å; R346-E348 VanDerWaalsContact C-N 3.35Å; R346-E348 PolarHBondContact O-N 2.84Å; E348-H351 PolarHBondContact O-N 3.16Å; E348-L352 HydrophobicContact CG-CD1 3.94Å; E348-L352 HydrophobicContact CG-CG 4.39Å; E348-L352 WeakPolarHBondContact O-CB 3.42Å; E348-L352 WeakPolarHBondContact O-CG 3.38Å; E348-L352 PolarHBondContact O-N 2.88Å |
| 349 | L | 94.4 | Very high | 91.8 | Very high | 93 Ų | 93 | 102.9 Ų | 102.9 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 177.4 | 178.9 | 144.3 | 0 | 0 | 0 | 112 | L345 R346 L352 Q353 | L345-L349 WeakPolarHBondContact O-CB 3.5Å; L345-L349 PolarHBondContact O-N 2.93Å; R346-L349 PolarHBondContact O-N 3.2Å; L349-L352 PolarHBondContact O-N 3.35Å; L349-Q353 VanDerWaalsContact CD2-CD 3.46Å; L349-Q353 HydrophobicContact CD2-CG 4.3Å; L349-Q353 HydrophobicContact CG-CG 4.47Å; L349-Q353 VanDerWaalsContact O-CB 3.28Å; L349-Q353 WeakPolarHBondContact O-CB 3.2Å; L349-Q353 WeakPolarHBondContact O-CG 3.38Å; L349-Q353 PolarHBondContact O-N 2.95Å |
| 350 | E | 95.3 | Very high | 92.3 | Very high | 124 Ų | 124 | 103.7 Ų | 103.7 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 175.9 | -74.7 | 177.8 | -171.4 | 0 | 0 | 111.8 | R346 N347 Q353 Y354 | R346-E350 WeakPolarHBondContact O-CG 3.47Å; R346-E350 PolarHBondContact O-N 2.5Å; N347-E350 PolarHBondContact O-N 3.26Å; E350-Q353 PolarHBondContact O-N 2.66Å; E350-Y354 PolarHBondContact O-N 3.18Å |
| 351 | H | 95.5 | Very high | 92.8 | Very high | 123 Ų | 123 | 104.8 Ų | 104.8 | 57% | 0.569 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.9 | -44.9 | 177.8 | 174.8 | -92 | 0 | 0 | 0 | 112.1 | N347 E348 Y354 K355 | N347-H351 PolarHBondContact O-N 3.46Å; N347-H351 VanDerWaalsContact O-N 3.11Å; E348-H351 PolarHBondContact O-N 3.16Å; H351-Y354 PolarHBondContact O-N 3.18Å; H351-K355 PolarHBondContact O-N 2.88Å; H351-K355 VanDerWaalsContact O-N 3.08Å |
| 352 | L | 95.1 | Very high | 93.3 | Very high | 85 Ų | 85 | 101.9 Ų | 101.9 | 45% | 0.445 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 177.4 | -73.6 | 174.5 | 0 | 0 | 0 | 112 | E348 L349 K355 V356 | E348-L352 HydrophobicContact CG-CD1 3.94Å; E348-L352 HydrophobicContact CG-CG 4.39Å; E348-L352 WeakPolarHBondContact O-CB 3.42Å; E348-L352 WeakPolarHBondContact O-CG 3.38Å; E348-L352 PolarHBondContact O-N 2.88Å; L349-L352 PolarHBondContact O-N 3.35Å; L352-K355 PolarHBondContact O-N 3.45Å; L352-V356 WeakPolarHBondContact O-CB 3.43Å; L352-V356 VanDerWaalsContact O-CG2 3.25Å; L352-V356 WeakPolarHBondContact O-CG2 3.4Å; L352-V356 PolarHBondContact O-N 2.86Å |
| 353 | Q | 94.4 | Very high | 93.4 | Very high | 106 Ų | 106 | 102.9 Ų | 102.9 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 175.6 | -79.9 | 177.9 | -10.1 | 0 | 0 | 111.5 | L349 E350 K355 V356 L357 | L349-Q353 VanDerWaalsContact CD2-CD 3.46Å; L349-Q353 HydrophobicContact CD2-CG 4.3Å; L349-Q353 HydrophobicContact CG-CG 4.47Å; L349-Q353 VanDerWaalsContact O-CB 3.28Å; L349-Q353 WeakPolarHBondContact O-CB 3.2Å; L349-Q353 WeakPolarHBondContact O-CG 3.38Å; L349-Q353 PolarHBondContact O-N 2.95Å; E350-Q353 PolarHBondContact O-N 2.66Å; Q353-K355 PolarHBondContact O-N 3.31Å; Q353-V356 PolarHBondContact O-N 2.88Å; Q353-L357 WeakPolarHBondContact O-CB 3.48Å; Q353-L357 VanDerWaalsContact O-CG 3.26Å; Q353-L357 WeakPolarHBondContact O-CG 3.44Å; Q353-L357 PolarHBondContact O-N 3.39Å |
| 354 | Y | 96.1 | Very high | 93.4 | Very high | 159 Ų | 159 | 105.6 Ų | 105.6 | 62% | 0.624 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.5 | -49.1 | 176.9 | -179.9 | -97.3 | 0 | 0 | 0 | 111.7 | E350 H351 V356 L357 Q358 | E350-Y354 PolarHBondContact O-N 3.18Å; H351-Y354 PolarHBondContact O-N 3.18Å; Y354-V356 PolarHBondContact O-N 2.95Å; Y354-L357 PolarHBondContact O-N 3.47Å; Y354-Q358 PolarHBondContact O-N 3.26Å |
| 355 | K | 96.4 | Very high | 93.6 | Very high | 114 Ų | 114 | 108.5 Ų | 108.5 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 179.4 | -172.2 | 175.1 | -178.4 | 179.1 | 0 | 112.4 | H351 L352 Q353 Q358 E359 | H351-K355 PolarHBondContact O-N 2.88Å; H351-K355 VanDerWaalsContact O-N 3.08Å; L352-K355 PolarHBondContact O-N 3.45Å; Q353-K355 PolarHBondContact O-N 3.31Å; K355-Q358 PolarHBondContact O-N 2.96Å; K355-E359 PolarHBondContact O-N 3.2Å |
| 356 | V | 94.5 | Very high | 93.6 | Very high | 69 Ų | 69 | 106.8 Ų | 106.8 | 42% | 0.418 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 178.2 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | L352 Q353 Y354 E359 R360 | L352-V356 WeakPolarHBondContact O-CB 3.43Å; L352-V356 VanDerWaalsContact O-CG2 3.25Å; L352-V356 WeakPolarHBondContact O-CG2 3.4Å; L352-V356 PolarHBondContact O-N 2.86Å; Q353-V356 PolarHBondContact O-N 2.88Å; Y354-V356 PolarHBondContact O-N 2.95Å; V356-E359 PolarHBondContact O-N 2.63Å; V356-R360 HydrophobicContact CG1-CG 4.36Å; V356-R360 WeakPolarHBondContact O-CB 3.43Å; V356-R360 WeakPolarHBondContact O-CG 3.34Å; V356-R360 PolarHBondContact O-N 2.82Å |
| 357 | L | 94.9 | Very high | 93.3 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 175.8 | -74.8 | 168.7 | 0 | 0 | 0 | 111.4 | Q353 Y354 E359 R360 E361 | Q353-L357 WeakPolarHBondContact O-CB 3.48Å; Q353-L357 VanDerWaalsContact O-CG 3.26Å; Q353-L357 WeakPolarHBondContact O-CG 3.44Å; Q353-L357 PolarHBondContact O-N 3.39Å; Y354-L357 PolarHBondContact O-N 3.47Å; L357-E359 PolarHBondContact O-N 3.2Å; L357-R360 WeakPolarHBondContact O-CB 3.49Å; L357-R360 PolarHBondContact O-N 2.81Å; L357-E361 PolarHBondContact O-N 2.81Å |
| 358 | Q | 95.7 | Very high | 93.1 | Very high | 88 Ų | 88 | 103.7 Ų | 103.7 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 176.7 | -172.7 | 179.3 | 9 | 0 | 0 | 111.8 | Y354 K355 R360 E361 N362 | Y354-Q358 PolarHBondContact O-N 3.26Å; K355-Q358 PolarHBondContact O-N 2.96Å; Q358-R360 VanDerWaalsContact C-N 3.32Å; Q358-R360 PolarHBondContact O-N 2.77Å; Q358-E361 PolarHBondContact O-N 3.13Å; Q358-N362 VanDerWaalsContact O-CG 3.28Å; Q358-N362 PolarHBondContact O-N 3.38Å; Q358-N362 PolarHBondContact O-ND2 3.33Å |
| 359 | E | 93.8 | Very high | 93 | Very high | 104 Ų | 104 | 101.3 Ų | 101.3 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.9 | -28.5 | 178.4 | -67.9 | -55.5 | 153.2 | 0 | 0 | 113.3 | K355 V356 L357 N362 Y363 | K355-E359 PolarHBondContact O-N 3.2Å; V356-E359 PolarHBondContact O-N 2.63Å; L357-E359 PolarHBondContact O-N 3.2Å; E359-N362 PolarHBondContact O-N 3.25Å; E359-N362 PolarHBondContact OE2-ND2 3.18Å; E359-Y363 VanDerWaalsContact O-CB 3.28Å; E359-Y363 WeakPolarHBondContact O-CB 3.36Å; E359-Y363 PolarHBondContact O-N 2.88Å |
| 360 | R | 91.5 | Very high | 92.7 | Very high | 124 Ų | 124 | 102.9 Ų | 102.9 | 47% | 0.468 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 172.1 | -78.8 | 172.6 | -178 | -174.8 | 2.1 | 111.8 | V356 L357 Q358 Y363 Q364 | V356-R360 HydrophobicContact CG1-CG 4.36Å; V356-R360 WeakPolarHBondContact O-CB 3.43Å; V356-R360 WeakPolarHBondContact O-CG 3.34Å; V356-R360 PolarHBondContact O-N 2.82Å; L357-R360 WeakPolarHBondContact O-CB 3.49Å; L357-R360 PolarHBondContact O-N 2.81Å; Q358-R360 VanDerWaalsContact C-N 3.32Å; Q358-R360 PolarHBondContact O-N 2.77Å; R360-Y363 PolarHBondContact O-N 2.92Å; R360-Q364 WeakPolarHBondContact O-CB 3.46Å; R360-Q364 PolarHBondContact O-N 2.83Å |
| 361 | E | 93.4 | Very high | 92.5 | Very high | 124 Ų | 124 | 106 Ų | 106 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 174.9 | -70.9 | 179.1 | -177.2 | 0 | 0 | 111 | L357 Q358 Y363 Q364 Q365 | L357-E361 PolarHBondContact O-N 2.81Å; Q358-E361 PolarHBondContact O-N 3.13Å; E361-Y363 VanDerWaalsContact C-N 3.35Å; E361-Y363 PolarHBondContact O-N 3.23Å; E361-Q364 PolarHBondContact O-N 2.92Å; E361-Q365 WeakPolarHBondContact O-CG 3.26Å; E361-Q365 PolarHBondContact O-N 3Å |
| 362 | N | 92.1 | Very high | 92.1 | Very high | 67 Ų | 67 | 102.6 Ų | 102.6 | 36% | 0.358 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 174 | -66.8 | -19 | 0 | 0 | 0 | 111.6 | Q358 E359 Q364 Q365 S366 | Q358-N362 VanDerWaalsContact O-CG 3.28Å; Q358-N362 PolarHBondContact O-N 3.38Å; Q358-N362 PolarHBondContact O-ND2 3.33Å; E359-N362 PolarHBondContact O-N 3.25Å; E359-N362 PolarHBondContact OE2-ND2 3.18Å; N362-Q364 PolarHBondContact O-N 3.5Å; N362-Q365 PolarHBondContact O-N 3.06Å; N362-S366 WeakPolarHBondContact O-CB 3.36Å; N362-S366 PolarHBondContact O-N 2.94Å; N362-S366 PolarHBondContact O-OG 3.1Å |
| 363 | Y | 90.3 | Very high | 91.7 | Very high | 83 Ų | 83 | 108.1 Ų | 108.1 | 33% | 0.325 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 176.8 | 178.7 | -98.4 | 0 | 0 | 0 | 111.1 | E359 R360 E361 Q365 S366 S367 S374 P478 | E359-Y363 VanDerWaalsContact O-CB 3.28Å; E359-Y363 WeakPolarHBondContact O-CB 3.36Å; E359-Y363 PolarHBondContact O-N 2.88Å; R360-Y363 PolarHBondContact O-N 2.92Å; E361-Y363 VanDerWaalsContact C-N 3.35Å; E361-Y363 PolarHBondContact O-N 3.23Å; Y363-Q365 PolarHBondContact O-N 2.82Å; Y363-S366 WeakPolarHBondContact CA-OG 3.4Å; Y363-S366 PolarHBondContact O-N 2.86Å; Y363-S366 PolarHBondContact O-OG 2.78Å; Y363-S367 WeakPolarHBondContact O-CB 3.32Å; Y363-S367 PolarHBondContact O-N 2.99Å; Y363-S374 VanDerWaalsContact OH-CB 3.26Å; Y363-S374 WeakPolarHBondContact OH-CB 3.32Å; Y363-S374 PolarHBondContact OH-OG 3.04Å; Y363-P478 HydrophobicContact CE1-CG 4.35Å |
| 364 | Q | 89.9 | Confident | 91.4 | Very high | 115 Ų | 115 | 106.5 Ų | 106.5 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 179.2 | -173.4 | 63.6 | 32.9 | 0 | 0 | 112 | R360 E361 N362 S367 | R360-Q364 WeakPolarHBondContact O-CB 3.46Å; R360-Q364 PolarHBondContact O-N 2.83Å; E361-Q364 PolarHBondContact O-N 2.92Å; N362-Q364 PolarHBondContact O-N 3.5Å; Q364-S367 PolarHBondContact O-N 3.06Å; Q364-S367 PolarHBondContact O-OG 2.54Å |
| 365 | Q | 91.3 | Very high | 91 | Very high | 131 Ų | 131 | 102.9 Ų | 102.9 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -44.9 | 175.2 | -69.4 | 175.9 | 17.4 | 0 | 0 | 111.4 | E361 N362 Y363 S367 Q368 | E361-Q365 WeakPolarHBondContact O-CG 3.26Å; E361-Q365 PolarHBondContact O-N 3Å; N362-Q365 PolarHBondContact O-N 3.06Å; Y363-Q365 PolarHBondContact O-N 2.82Å; Q365-S367 VanDerWaalsContact C-N 3.26Å; Q365-S367 PolarHBondContact O-N 2.83Å; Q365-Q368 PolarHBondContact O-N 3.3Å |
| 366 | S | 90.2 | Very high | 90.7 | Very high | 57 Ų | 57 | 102.4 Ų | 102.4 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.2 | -30.4 | 179.1 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | N362 Y363 Q368 S369 A372 | N362-S366 WeakPolarHBondContact O-CB 3.36Å; N362-S366 PolarHBondContact O-N 2.94Å; N362-S366 PolarHBondContact O-OG 3.1Å; Y363-S366 WeakPolarHBondContact CA-OG 3.4Å; Y363-S366 PolarHBondContact O-N 2.86Å; Y363-S366 PolarHBondContact O-OG 2.78Å; S366-Q368 PolarHBondContact O-N 3.08Å; S366-S369 VanDerWaalsContact O-CB 3.31Å; S366-S369 WeakPolarHBondContact O-CB 3.4Å; S366-S369 PolarHBondContact O-N 3.22Å; S366-S369 VanDerWaalsContact O-N 3.09Å; S366-A372 WeakPolarHBondContact O-CB 3.19Å |
| 367 | S | 88.2 | Confident | 90.4 | Very high | 48 Ų | 48 | 101 Ų | 101 | 34% | 0.336 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.8 | -18.2 | -179.4 | 77.2 | 0 | 0 | 0 | 0 | 113.7 | Y363 Q364 Q365 S369 | Y363-S367 WeakPolarHBondContact O-CB 3.32Å; Y363-S367 PolarHBondContact O-N 2.99Å; Q364-S367 PolarHBondContact O-N 3.06Å; Q364-S367 PolarHBondContact O-OG 2.54Å; Q365-S367 VanDerWaalsContact C-N 3.26Å; Q365-S367 PolarHBondContact O-N 2.83Å; S367-S369 VanDerWaalsContact C-N 3.3Å |
| 368 | Q | 89.4 | Confident | 90 | Very high | 159 Ų | 159 | 101.9 Ų | 101.9 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -11.7 | 175.3 | -60.9 | 179.1 | -0.9 | 0 | 0 | 113.2 | Q365 S366 | Q365-Q368 PolarHBondContact O-N 3.3Å; S366-Q368 PolarHBondContact O-N 3.08Å |
| 369 | S | 91.2 | Very high | 89.8 | Confident | 60 Ų | 60 | 98.3 Ų | 98.3 | 42% | 0.42 | 53% | 0.532 | S | S | . | . | trans | -76.2 | 126.2 | 178.2 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | S366 S367 K371 A372 | S366-S369 VanDerWaalsContact O-CB 3.31Å; S366-S369 WeakPolarHBondContact O-CB 3.4Å; S366-S369 PolarHBondContact O-N 3.22Å; S366-S369 VanDerWaalsContact O-N 3.09Å; S367-S369 VanDerWaalsContact C-N 3.3Å; S369-K371 PolarHBondContact O-N 2.82Å; S369-K371 VanDerWaalsContact O-N 3.16Å; S369-K371 PolarHBondContact OG-N 2.84Å; S369-A372 PolarHBondContact O-N 2.9Å; S369-A372 VanDerWaalsContact O-N 3.14Å | ||
| 370 | S | 86.7 | Confident | 89.7 | Confident | 126 Ų | 126 | 94.9 Ų | 94.9 | 88% | 0.881 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15.4 | 177.4 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 371 | K | 91 | Very high | 89.8 | Confident | 190 Ų | 190 | 89.5 Ų | 89.5 | 83% | 0.826 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -14.7 | 177 | -63.9 | -177.4 | -178.6 | 178.6 | 0 | 112.9 | S369 | S369-K371 PolarHBondContact O-N 2.82Å; S369-K371 VanDerWaalsContact O-N 3.16Å; S369-K371 PolarHBondContact OG-N 2.84Å |
| 372 | A | 87.1 | Confident | 90 | Very high | 50 Ų | 50 | 86.9 Ų | 86.9 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | trans | -76.8 | 146.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S366 S369 | S366-A372 WeakPolarHBondContact O-CB 3.19Å; S369-A372 PolarHBondContact O-N 2.9Å; S369-A372 VanDerWaalsContact O-N 3.14Å | ||
| 373 | K | 88 | Confident | 90.2 | Very high | 202 Ų | 202 | 86.4 Ų | 86.4 | 88% | 0.878 | 49% | 0.493 | S | S | * | . | trans | -120.1 | 126.5 | 171.5 | -67.1 | -175.4 | 179.1 | -177.3 | 0 | 108.4 | A375 | K373-A375 PolarHBondContact O-N 2.77Š| ||
| 374 | S | 87.5 | Confident | 90.4 | Very high | 71 Ų | 71 | 84.8 Ų | 84.8 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 120.1 | 174.4 | -69 | 0 | 0 | 0 | 0 | 110.1 | Y363 | Y363-S374 VanDerWaalsContact OH-CB 3.26Å; Y363-S374 WeakPolarHBondContact OH-CB 3.32Å; Y363-S374 PolarHBondContact OH-OG 3.04Å |
| 375 | A | 87.9 | Confident | 90.6 | Very high | 83 Ų | 83 | 81.4 Ų | 81.4 | 69% | 0.686 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 138.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | K373 | K373-A375 PolarHBondContact O-N 2.77Š|
| 376 | V | 89.3 | Confident | 90.7 | Very high | 104 Ų | 104 | 77.6 Ų | 77.6 | 63% | 0.63 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -92.6 | 127.3 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | S378 T480 | V376-S378 PolarHBondContact O-N 3Å; V376-T480 HydrophobicContact CG1-CG2 4.5Å; V376-T480 WeakPolarHBondContact CG1-OG1 3.48Å |
| 377 | P | 88.5 | Confident | 90.8 | Very high | 41 Ų | 41 | 75.8 Ų | 75.8 | 27% | 0.266 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 124.8 | 176 | 26 | -31.4 | 0 | 0 | 0 | 109.9 | I476 P478 T480 | P377-I476 HydrophobicContact CB-CD1 4.17Å; P377-I476 HydrophobicContact CG-CD1 3.91Å; P377-I476 HydrophobicContact CG-CG1 4.49Å; P377-P478 WeakPolarHBondContact CG-O 3.18Å; P377-T480 HydrophobicContact CG-CG2 3.77Å |
| 378 | S | 87.4 | Confident | 90.9 | Very high | 112 Ų | 112 | 75.4 Ų | 75.4 | 78% | 0.783 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -82 | 136.8 | 172 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | V376 | V376-S378 PolarHBondContact O-N 3Š|
| 379 | F | 91.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 72 Ų | 72 | 6% | 0.057 | 42% | 0.42 | C | S | . | . | trans | -134.8 | 154.7 | 171.1 | 61.8 | -83.5 | 0 | 0 | 0 | 109.7 | I381 V400 P474 I476 T480 Q482 | F379-I381 HydrophobicContact CD2-CG1 3.93Å; F379-I381 HydrophobicContact CE2-CD1 3.73Å; F379-I381 HydrophobicContact CE2-CG1 3.5Å; F379-I381 HydrophobicContact CZ-CD1 4.31Å; F379-I381 HydrophobicContact CZ-CG1 4.5Å; F379-V400 HydrophobicContact CD2-CG1 3.7Å; F379-V400 HydrophobicContact CE2-CG1 4.16Å; F379-V400 HydrophobicContact CE2-CG2 4.42Å; F379-P474 HydrophobicContact CD1-CG 3.9Å; F379-P474 HydrophobicContact CD2-CG 4.06Å; F379-P474 HydrophobicContact CE1-CG 3.66Å; F379-P474 HydrophobicContact CE2-CG 3.78Å; F379-P474 HydrophobicContact CG-CG 4.1Å; F379-P474 HydrophobicContact CZ-CG 3.59Å; F379-I476 HydrophobicContact CD1-CD1 4.05Å; F379-T480 HydrophobicContact CD1-CG2 3.91Å; F379-T480 HydrophobicContact CE1-CG2 3.58Å; F379-Q482 HydrophobicContact CD1-CG 4.39Å; F379-Q482 HydrophobicContact CE1-CB 4.27Å; F379-Q482 HydrophobicContact CE1-CG 3.61Å; F379-Q482 HydrophobicContact CE2-CB 4.4Å; F379-Q482 HydrophobicContact CE2-CG 4.35Å; F379-Q482 HydrophobicContact CZ-CB 3.76Å; F379-Q482 HydrophobicContact CZ-CG 3.6Å; F379-Q482 PolarHBondContact O-NE2 2.64Å; F379-Q482 PolarHBondContact O-OE1 3.3Å | ||
| 380 | G | 90.6 | Very high | 90.3 | Very high | 33 Ų | 33 | 74.4 Ų | 74.4 | 34% | 0.34 | 43% | 0.428 | S | S | . | . | trans | -87.1 | 134.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y310 | Y310-G380 PolarHBondContact OH-O 3.12Š| ||
| 381 | I | 95.5 | Very high | 90.1 | Very high | 11 Ų | 11 | 70 Ų | 70 | 6% | 0.056 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 122.9 | 166.2 | -57.7 | 169.9 | 0 | 0 | 0 | 106.1 | F379 D383 L398 E399 V400 V472 Q482 R484 | F379-I381 HydrophobicContact CD2-CG1 3.93Å; F379-I381 HydrophobicContact CE2-CD1 3.73Å; F379-I381 HydrophobicContact CE2-CG1 3.5Å; F379-I381 HydrophobicContact CZ-CD1 4.31Å; F379-I381 HydrophobicContact CZ-CG1 4.5Å; I381-D383 HydrophobicContact CG2-CB 4.25Å; I381-L398 HydrophobicContact CG2-CD2 4.25Å; I381-E399 WeakPolarHBondContact CA-O 3.34Å; I381-V400 HydrophobicContact CG1-CG2 4.12Å; I381-V472 HydrophobicContact CD1-CB 3.76Å; I381-V472 HydrophobicContact CD1-CG1 4.27Å; I381-V472 HydrophobicContact CD1-CG2 3.94Å; I381-Q482 HydrophobicContact CD1-CB 3.77Å; I381-R484 HydrophobicContact CD1-CG 4.12Å |
| 382 | N | 96 | Very high | 90.1 | Very high | 69 Ų | 69 | 61 Ų | 61 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 102.9 | 168.1 | 177 | 44.2 | 0 | 0 | 0 | 107.3 | Y310 E399 | Y310-N382 HydrophobicContact CD2-CB 4.25Å; Y310-N382 HydrophobicContact CE1-CB 4.24Å; Y310-N382 HydrophobicContact CE2-CB 3.57Å; Y310-N382 PolarHBondContact OH-N 3.33Å; N382-E399 HydrophobicContact CB-CB 4.17Å; N382-E399 PolarHBondContact N-O 2.69Å; N382-E399 PolarHBondContact ND2-OE2 3.13Å; N382-E399 PolarHBondContact O-N 3.2Å |
| 383 | D | 96.2 | Very high | 90.3 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.7 | -177 | 55.1 | -35.9 | 0 | 0 | 0 | 112.6 | I381 I397 L398 Y486 | I381-D383 HydrophobicContact CG2-CB 4.25Å; D383-I397 CarbonylContact C-O 3.59Å; D383-I397 VanDerWaalsContact CA-O 3.27Å; D383-I397 WeakPolarHBondContact CA-O 3.43Å; D383-L398 HydrophobicContact CB-CD2 3.94Å; D383-Y486 HydrophobicContact CB-CE1 4.3Å; D383-Y486 WeakPolarHBondContact CB-OH 3.5Å; D383-Y486 WeakPolarHBondContact OD2-CE1 3.31Å; D383-Y486 PolarHBondContact OD2-OH 3.4Å; D383-Y486 VanDerWaalsContact OD2-OH 3.08Å |
| 384 | K | 94.8 | Very high | 90.7 | Very high | 49 Ų | 49 | 49.5 Ų | 49.5 | 21% | 0.213 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 125.6 | 175.1 | -178.3 | 178.9 | 179.3 | -168.6 | 0 | 109 | S212 D262 T386 L396 I397 | S212-K384 PolarHBondContact O-NZ 3.44Å; D262-K384 IonicContact OD2-NZ 3.59Å; D262-K384 PolarHBondContact OD2-NZ 3.44Å; K384-T386 HydrophobicContact CD-CG2 4.23Å; K384-T386 HydrophobicContact CG-CG2 3.69Å; K384-L396 CarbonylContact O-C 3.56Å; K384-L396 WeakPolarHBondContact O-CA 3.39Å; K384-I397 HydrophobicContact CB-CB 4.29Å; K384-I397 HydrophobicContact CD-CD1 4.2Å; K384-I397 PolarHBondContact N-O 2.9Å; K384-I397 PolarHBondContact O-N 3.5Å |
| 385 | F | 95.4 | Very high | 91 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 96.7 | 177.5 | -171.2 | -116.4 | 0 | 0 | 0 | 109.3 | Y394 L396 I458 L468 Y486 I488 | F385-Y394 HydrophobicContact CD1-CD1 4.01Å; F385-Y394 HydrophobicContact CD1-CE1 4.31Å; F385-Y394 HydrophobicContact CD2-CD1 4.45Å; F385-Y394 AromaticContact CE1-CD1 3.49Å; F385-Y394 HydrophobicContact CE1-CD1 3.49Å; F385-Y394 VanDerWaalsContact CE1-CD1 3.49Å; F385-Y394 AromaticContact CE1-CE1 3.73Å; F385-Y394 HydrophobicContact CE1-CE1 3.73Å; F385-Y394 HydrophobicContact CE1-CG 4.01Å; F385-Y394 VanDerWaalsContact CE2-CB 3.5Å; F385-Y394 AromaticContact CE2-CD1 3.98Å; F385-Y394 HydrophobicContact CE2-CD1 3.98Å; F385-Y394 AromaticContact CE2-CG 3.91Å; F385-Y394 HydrophobicContact CE2-CG 3.91Å; F385-Y394 HydrophobicContact CG-CD1 4.46Å; F385-Y394 AromaticContact CZ-CD1 3.46Å; F385-Y394 HydrophobicContact CZ-CD1 3.46Å; F385-Y394 VanDerWaalsContact CZ-CD1 3.46Å; F385-Y394 HydrophobicContact CZ-CD2 4.17Å; F385-Y394 HydrophobicContact CZ-CE1 4.09Å; F385-Y394 AromaticContact CZ-CG 3.49Å; F385-Y394 HydrophobicContact CZ-CG 3.49Å; F385-Y394 VanDerWaalsContact CZ-CG 3.49Å; F385-L396 HydrophobicContact CB-CD1 4.28Å; F385-L396 HydrophobicContact CD2-CB 3.87Å; F385-L396 HydrophobicContact CD2-CD1 3.99Å; F385-L396 HydrophobicContact CD2-CG 4.43Å; F385-L396 HydrophobicContact CE2-CB 4.29Å; F385-I458 HydrophobicContact CE2-CD1 4.22Å; F385-L468 HydrophobicContact CE2-CD2 4.15Å; F385-L468 HydrophobicContact CZ-CD2 4.45Å; F385-Y486 HydrophobicContact CB-CD1 3.64Å; F385-Y486 HydrophobicContact CB-CE1 4.05Å; F385-Y486 HydrophobicContact CB-CG 4.34Å; F385-Y486 HydrophobicContact CD1-CD1 4.36Å; F385-Y486 HydrophobicContact CD1-CG 4.42Å; F385-Y486 HydrophobicContact CD2-CG 4.49Å; F385-Y486 AromaticContact CG-CD1 3.95Å; F385-Y486 HydrophobicContact CG-CD1 3.95Å; F385-Y486 HydrophobicContact CG-CG 4.17Å; F385-I488 HydrophobicContact CE1-CD1 4.02Å; F385-I488 HydrophobicContact CZ-CD1 3.56Å |
| 386 | T | 92.3 | Very high | 91.3 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.5 | -170.4 | 48.3 | 0 | 0 | 0 | 0 | 112 | K384 Y394 S395 | K384-T386 HydrophobicContact CD-CG2 4.23Å; K384-T386 HydrophobicContact CG-CG2 3.69Å; T386-Y394 CarbonylContact O-C 3.53Å; T386-Y394 WeakPolarHBondContact O-CA 3.36Å; T386-S395 PolarHBondContact N-O 2.99Å; T386-S395 VanDerWaalsContact N-O 3.1Å; T386-S395 PolarHBondContact O-N 2.99Å |
| 387 | L | 92.8 | Very high | 91.6 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123.7 | 172.9 | -178 | 66.3 | 0 | 0 | 0 | 109.7 | Y394 S492 L493 Q495 T548 | L387-Y394 HydrophobicContact CB-CD1 4.11Å; L387-Y394 HydrophobicContact CB-CE1 3.9Å; L387-Y394 HydrophobicContact CD1-CD2 4.07Å; L387-Y394 HydrophobicContact CD1-CE1 4.4Å; L387-Y394 HydrophobicContact CD1-CE2 3.95Å; L387-Y394 HydrophobicContact CD1-CG 4.36Å; L387-S492 WeakPolarHBondContact CD2-O 3.27Å; L387-L493 HydrophobicContact CD1-CD2 4.35Å; L387-Q495 HydrophobicContact CD2-CG 4.47Å; L387-T548 HydrophobicContact CD2-CG2 3.72Å; L387-T548 HydrophobicContact CG-CG2 4.36Å |
| 388 | N | 89.3 | Confident | 92 | Very high | 40 Ų | 40 | 36.3 Ų | 36.3 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.5 | 172.2 | -169.2 | -15.4 | 0 | 0 | 0 | 109.7 | D390 D391 A392 S393 | N388-D390 PolarHBondContact OD1-N 3.35Å; N388-D390 VanDerWaalsContact OD1-N 3.13Å; N388-D391 WeakPolarHBondContact CB-OD1 3.46Å; N388-A392 WeakPolarHBondContact O-CA 3.32Å; N388-A392 PolarHBondContact O-N 3.19Å; N388-S393 WeakPolarHBondContact CB-O 3.32Å; N388-S393 PolarHBondContact N-O 2.6Å |
| 389 | K | 86.2 | Confident | 92.4 | Very high | 89 Ų | 89 | 31 Ų | 31 | 39% | 0.387 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -35.7 | -178.4 | -174.5 | 173.3 | -177.7 | 170.8 | 0 | 112 | T548 | K389-T548 HydrophobicContact CB-CG2 4.42Å; K389-T548 HydrophobicContact CG-CG2 4.2Å |
| 390 | D | 82.8 | Confident | 92.6 | Very high | 109 Ų | 109 | 30.4 Ų | 30.4 | 58% | 0.583 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -33 | -169.2 | -64.7 | -13.5 | 0 | 0 | 0 | 113.5 | K237 N388 | K237-D390 WeakPolarHBondContact CE-OD2 3.38Å; N388-D390 PolarHBondContact OD1-N 3.35Å; N388-D390 VanDerWaalsContact OD1-N 3.13Å |
| 391 | D | 82.9 | Confident | 92.7 | Very high | 33 Ų | 33 | 32.4 Ų | 32.4 | 18% | 0.176 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 4.7 | -177 | 65.9 | 14 | 0 | 0 | 0 | 114 | N388 S393 K457 | N388-D391 WeakPolarHBondContact CB-OD1 3.46Å; D391-S393 PolarHBondContact O-N 2.78Å; D391-S393 WeakPolarHBondContact OD1-CB 3.37Å; D391-S393 PolarHBondContact OD1-N 2.96Å; D391-S393 PolarHBondContact OD1-OG 3.24Å; D391-S393 PolarHBondContact OD2-OG 2.94Å; D391-K457 IonicContact OD2-NZ 3.53Å; D391-K457 PolarHBondContact OD2-NZ 3.29Å |
| 392 | A | 89.6 | Confident | 92.5 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 46.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N388 F549 R669 | N388-A392 WeakPolarHBondContact O-CA 3.32Å; N388-A392 PolarHBondContact O-N 3.19Å; A392-F549 HydrophobicContact CB-CB 3.81Å; A392-F549 HydrophobicContact CB-CD2 3.77Å; A392-F549 HydrophobicContact CB-CG 4.25Å; A392-R669 PolarHBondContact O-NH1 3.26Å; A392-R669 PolarHBondContact O-NH2 3.28Å |
| 393 | S | 92.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 151.3 | 175.7 | 76.6 | 0 | 0 | 0 | 0 | 110.9 | N388 D391 | N388-S393 WeakPolarHBondContact CB-O 3.32Å; N388-S393 PolarHBondContact N-O 2.6Å; D391-S393 PolarHBondContact O-N 2.78Å; D391-S393 WeakPolarHBondContact OD1-CB 3.37Å; D391-S393 PolarHBondContact OD1-N 2.96Å; D391-S393 PolarHBondContact OD1-OG 3.24Å; D391-S393 PolarHBondContact OD2-OG 2.94Å |
| 394 | Y | 95.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 4% | 0.039 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 137.3 | 170.8 | -72.7 | -92.7 | 0 | 0 | 0 | 110.3 | F385 T386 L387 K457 I458 S492 | F385-Y394 HydrophobicContact CD1-CD1 4.01Å; F385-Y394 HydrophobicContact CD1-CE1 4.31Å; F385-Y394 HydrophobicContact CD2-CD1 4.45Å; F385-Y394 AromaticContact CE1-CD1 3.49Å; F385-Y394 HydrophobicContact CE1-CD1 3.49Å; F385-Y394 VanDerWaalsContact CE1-CD1 3.49Å; F385-Y394 AromaticContact CE1-CE1 3.73Å; F385-Y394 HydrophobicContact CE1-CE1 3.73Å; F385-Y394 HydrophobicContact CE1-CG 4.01Å; F385-Y394 VanDerWaalsContact CE2-CB 3.5Å; F385-Y394 AromaticContact CE2-CD1 3.98Å; F385-Y394 HydrophobicContact CE2-CD1 3.98Å; F385-Y394 AromaticContact CE2-CG 3.91Å; F385-Y394 HydrophobicContact CE2-CG 3.91Å; F385-Y394 HydrophobicContact CG-CD1 4.46Å; F385-Y394 AromaticContact CZ-CD1 3.46Å; F385-Y394 HydrophobicContact CZ-CD1 3.46Å; F385-Y394 VanDerWaalsContact CZ-CD1 3.46Å; F385-Y394 HydrophobicContact CZ-CD2 4.17Å; F385-Y394 HydrophobicContact CZ-CE1 4.09Å; F385-Y394 AromaticContact CZ-CG 3.49Å; F385-Y394 HydrophobicContact CZ-CG 3.49Å; F385-Y394 VanDerWaalsContact CZ-CG 3.49Å; T386-Y394 CarbonylContact O-C 3.53Å; T386-Y394 WeakPolarHBondContact O-CA 3.36Å; L387-Y394 HydrophobicContact CB-CD1 4.11Å; L387-Y394 HydrophobicContact CB-CE1 3.9Å; L387-Y394 HydrophobicContact CD1-CD2 4.07Å; L387-Y394 HydrophobicContact CD1-CE1 4.4Å; L387-Y394 HydrophobicContact CD1-CE2 3.95Å; L387-Y394 HydrophobicContact CD1-CG 4.36Å; Y394-K457 CarbonylContact O-C 3.55Å; Y394-K457 WeakPolarHBondContact O-CA 3.29Å; Y394-I458 PolarHBondContact N-O 3Å; Y394-I458 PolarHBondContact O-N 3.06Å; Y394-S492 VanDerWaalsContact OH-CA 3.3Å; Y394-S492 WeakPolarHBondContact OH-CA 3.26Å; Y394-S492 VanDerWaalsContact OH-CB 3.26Å; Y394-S492 WeakPolarHBondContact OH-CB 3.17Å; Y394-S492 PolarHBondContact OH-O 2.78Å |
| 395 | S | 93.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 113.1 | 168 | -57.3 | 0 | 0 | 0 | 0 | 108.4 | T386 L456 | T386-S395 PolarHBondContact N-O 2.99Å; T386-S395 VanDerWaalsContact N-O 3.1Å; T386-S395 PolarHBondContact O-N 2.99Å; S395-L456 WeakPolarHBondContact CA-O 3.44Å |
| 396 | L | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 113.1 | 170.8 | 176.8 | 58.3 | 0 | 0 | 0 | 108.8 | K384 F385 L398 I409 E455 L456 I458 L468 A470 Y486 | K384-L396 CarbonylContact O-C 3.56Å; K384-L396 WeakPolarHBondContact O-CA 3.39Å; F385-L396 HydrophobicContact CB-CD1 4.28Å; F385-L396 HydrophobicContact CD2-CB 3.87Å; F385-L396 HydrophobicContact CD2-CD1 3.99Å; F385-L396 HydrophobicContact CD2-CG 4.43Å; F385-L396 HydrophobicContact CE2-CB 4.29Å; L396-L398 HydrophobicContact CD1-CD2 4.06Å; L396-L398 HydrophobicContact CD1-CG 4.36Å; L396-L398 HydrophobicContact CD2-CD1 4.46Å; L396-L398 HydrophobicContact CG-CD2 4.42Å; L396-L398 HydrophobicContact CG-CG 4.23Å; L396-I409 HydrophobicContact CD2-CD1 4.35Å; L396-E455 WeakPolarHBondContact O-CA 3.28Å; L396-L456 HydrophobicContact CB-CB 4.34Å; L396-L456 HydrophobicContact CD2-CD1 4.42Å; L396-L456 PolarHBondContact N-O 2.97Å; L396-L456 PolarHBondContact O-N 2.75Å; L396-I458 HydrophobicContact CB-CD1 3.98Å; L396-I458 HydrophobicContact CD2-CD1 4.09Å; L396-L468 HydrophobicContact CD2-CD2 4.19Å; L396-A470 HydrophobicContact CD2-CB 4.42Å; L396-Y486 HydrophobicContact CD1-CD1 4.41Å; L396-Y486 HydrophobicContact CD1-CD2 4.2Å; L396-Y486 HydrophobicContact CD1-CE1 3.86Å; L396-Y486 HydrophobicContact CD1-CE2 3.61Å; L396-Y486 VanDerWaalsContact CD1-CZ 3.42Å; L396-Y486 HydrophobicContact CD2-CD2 4.3Å; L396-Y486 HydrophobicContact CD2-CE2 3.94Å; L396-Y486 HydrophobicContact CG-CE2 4.45Å |
| 397 | I | 95.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.4 | 175.3 | -61.8 | 156.1 | 0 | 0 | 0 | 107.9 | D383 K384 R453 L454 E455 | D383-I397 CarbonylContact C-O 3.59Å; D383-I397 VanDerWaalsContact CA-O 3.27Å; D383-I397 WeakPolarHBondContact CA-O 3.43Å; K384-I397 HydrophobicContact CB-CB 4.29Å; K384-I397 HydrophobicContact CD-CD1 4.2Å; K384-I397 PolarHBondContact N-O 2.9Å; K384-I397 PolarHBondContact O-N 3.5Å; I397-R453 VanDerWaalsContact CD1-NH2 3.29Å; I397-R453 HydrophobicContact CG2-CG 4.05Å; I397-L454 WeakPolarHBondContact CA-O 3.48Å; I397-E455 HydrophobicContact CG1-CB 4.26Å; I397-E455 HydrophobicContact CG1-CG 3.89Å |
| 398 | L | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.2 | 177.2 | -60.6 | 169.8 | 0 | 0 | 0 | 108.5 | I381 D383 L396 V407 R453 L454 A470 V472 Y486 | I381-L398 HydrophobicContact CG2-CD2 4.25Å; D383-L398 HydrophobicContact CB-CD2 3.94Å; L396-L398 HydrophobicContact CD1-CD2 4.06Å; L396-L398 HydrophobicContact CD1-CG 4.36Å; L396-L398 HydrophobicContact CD2-CD1 4.46Å; L396-L398 HydrophobicContact CG-CD2 4.42Å; L396-L398 HydrophobicContact CG-CG 4.23Å; L398-V407 HydrophobicContact CD1-CG1 3.71Å; L398-V407 HydrophobicContact CD1-CG2 4.33Å; L398-R453 CarbonylContact O-C 3.54Å; L398-R453 WeakPolarHBondContact O-CA 3.47Å; L398-L454 PolarHBondContact N-O 2.96Å; L398-L454 PolarHBondContact O-N 2.88Å; L398-A470 HydrophobicContact CD1-CB 4.11Å; L398-V472 HydrophobicContact CD1-CG2 3.95Å; L398-V472 HydrophobicContact CD2-CG2 4.42Å; L398-Y486 WeakPolarHBondContact CD2-OH 3.47Å |
| 399 | E | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.1 | -179.4 | -174.9 | -179.3 | -148.2 | 0 | 0 | 111.4 | S288 Y310 I381 N382 T452 R453 | S288-E399 WeakPolarHBondContact CB-OE2 3.29Å; S288-E399 PolarHBondContact N-OE1 3.09Å; S288-E399 PolarHBondContact OG-OE1 3.4Å; S288-E399 PolarHBondContact OG-OE2 2.93Å; Y310-E399 WeakPolarHBondContact CB-OE1 3.47Å; Y310-E399 HydrophobicContact CD1-CG 3.58Å; Y310-E399 HydrophobicContact CE1-CG 3.93Å; Y310-E399 HydrophobicContact CG-CG 4.24Å; I381-E399 WeakPolarHBondContact CA-O 3.34Å; N382-E399 HydrophobicContact CB-CB 4.17Å; N382-E399 PolarHBondContact N-O 2.69Å; N382-E399 PolarHBondContact ND2-OE2 3.13Å; N382-E399 PolarHBondContact O-N 3.2Å; E399-T452 WeakPolarHBondContact CA-O 3.38Å; E399-R453 HydrophobicContact CB-CB 4.39Å; E399-R453 HydrophobicContact CB-CG 4.33Å; E399-R453 HydrophobicContact CG-CB 4.2Å |
| 400 | V | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 145.9 | -177.1 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | F379 I381 T402 I404 T452 V472 P474 | F379-V400 HydrophobicContact CD2-CG1 3.7Å; F379-V400 HydrophobicContact CE2-CG1 4.16Å; F379-V400 HydrophobicContact CE2-CG2 4.42Å; I381-V400 HydrophobicContact CG1-CG2 4.12Å; V400-T402 PolarHBondContact O-N 2.64Å; V400-T402 VanDerWaalsContact O-N 3.16Å; V400-I404 HydrophobicContact CB-CG1 4.34Å; V400-I404 HydrophobicContact CG2-CD1 4.34Å; V400-I404 HydrophobicContact CG2-CG1 4.22Å; V400-T452 PolarHBondContact N-O 3.01Å; V400-T452 WeakPolarHBondContact O-CB 3.46Å; V400-V472 HydrophobicContact CG2-CG1 3.82Å; V400-P474 HydrophobicContact CG1-CB 4.19Å |
| 401 | Q | 92.1 | Very high | 94.4 | Very high | 76 Ų | 76 | 17 Ų | 17 | 36% | 0.355 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -59.7 | -26.7 | -179.4 | 75.2 | -174.8 | -5.5 | 0 | 0 | 114.1 | V15 | V15-Q401 HydrophobicContact CG2-CB 3.41Å; V15-Q401 VanDerWaalsContact CG2-CB 3.41Å; V15-Q401 HydrophobicContact CG2-CG 4.26Å |
| 402 | T | 92.4 | Very high | 95 | Very high | 39 Ų | 39 | 17.4 Ų | 17.4 | 24% | 0.239 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -115.5 | 154.5 | 179.3 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | V400 I404 P474 I476 | V400-T402 PolarHBondContact O-N 2.64Å; V400-T402 VanDerWaalsContact O-N 3.16Å; T402-I404 PolarHBondContact O-N 2.99Å; T402-P474 VanDerWaalsContact OG1-CB 3.24Å; T402-P474 WeakPolarHBondContact OG1-CB 3.43Å; T402-I476 HydrophobicContact CG2-CG2 3.73Å |
| 403 | A | 93.6 | Very high | 95.2 | Very high | 16 Ų | 16 | 17.7 Ų | 17.7 | 13% | 0.132 | 10% | 0.095 | C | C | . | . | trans | -51.2 | 134.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T451 R475 | A403-T451 CarbonylContact C-O 3.13Å; A403-T451 WeakPolarHBondContact CA-O 3.36Å; A403-R475 WeakPolarHBondContact O-CB 3.43Å; A403-R475 WeakPolarHBondContact O-CG 3.4Å; A403-R475 PolarHBondContact O-N 2.83Å | ||
| 404 | I | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 135.7 | 177 | -58.6 | 173.1 | 0 | 0 | 0 | 108.5 | V400 T402 V407 C447 T451 L454 | V400-I404 HydrophobicContact CB-CG1 4.34Å; V400-I404 HydrophobicContact CG2-CD1 4.34Å; V400-I404 HydrophobicContact CG2-CG1 4.22Å; T402-I404 PolarHBondContact O-N 2.99Å; I404-V407 HydrophobicContact CG2-CG2 3.69Å; I404-C447 HydrophobicContact CB-CB 4.24Å; I404-C447 HydrophobicContact CG2-CB 4.38Å; I404-C447 WeakPolarHBondContact O-CB 3.47Å; I404-T451 PolarHBondContact N-O 2.74Å; I404-L454 HydrophobicContact CD1-CB 4.23Å |
| 405 | D | 95.3 | Very high | 95.1 | Very high | 39 Ų | 39 | 20 Ų | 20 | 21% | 0.209 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -58.1 | 171.6 | -169.1 | 33.6 | 0 | 0 | 0 | 109.1 | C447 T473 R475 K479 | D405-C447 PolarHBondContact O-N 2.62Å; D405-C447 VanDerWaalsContact O-N 3.15Å; D405-T473 WeakPolarHBondContact CA-O 3.43Å; D405-T473 HydrophobicContact CB-CG2 4.3Å; D405-T473 VanDerWaalsContact CB-O 3.28Å; D405-T473 WeakPolarHBondContact CB-O 3.49Å; D405-T473 PolarHBondContact N-O 2.96Å; D405-R475 HydrophobicContact CB-CG 3.79Å; D405-R475 IonicContact OD1-NE 3.12Å; D405-K479 IonicContact OD2-NZ 3.52Å; D405-K479 PolarHBondContact OD2-NZ 2.98Å |
| 406 | N | 96.1 | Very high | 94.9 | Very high | 41 Ų | 41 | 23.2 Ų | 23.2 | 22% | 0.219 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 155.6 | 177 | 63 | 89.6 | 0 | 0 | 0 | 111.7 | T444 Y445 T473 | N406-T444 HydrophobicContact CB-CG2 4.4Å; N406-Y445 CarbonylContact C-O 3.5Å; N406-Y445 WeakPolarHBondContact CA-O 3.42Å; N406-Y445 WeakPolarHBondContact CB-O 3.27Å; N406-T473 PolarHBondContact N-O 2.98Å; N406-T473 PolarHBondContact O-N 3.14Å |
| 407 | V | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.2 | 168.6 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | L398 I404 I409 Y445 L454 A470 Y471 V472 | L398-V407 HydrophobicContact CD1-CG1 3.71Å; L398-V407 HydrophobicContact CD1-CG2 4.33Å; I404-V407 HydrophobicContact CG2-CG2 3.69Å; V407-I409 HydrophobicContact CG1-CD1 3.73Å; V407-I409 HydrophobicContact CG1-CG1 4.41Å; V407-Y445 PolarHBondContact N-O 3.34Å; V407-Y445 PolarHBondContact O-N 2.84Å; V407-L454 HydrophobicContact CB-CD2 3.82Å; V407-L454 HydrophobicContact CG1-CD2 4.4Å; V407-L454 HydrophobicContact CG2-CD2 3.54Å; V407-A470 HydrophobicContact CG1-CB 4.44Å; V407-Y471 VanDerWaalsContact CA-O 3.3Å; V407-Y471 WeakPolarHBondContact CA-O 3.24Å; V407-V472 HydrophobicContact CG1-CG2 4.34Å; V407-V472 HydrophobicContact CG2-CG1 4.39Å; V407-V472 HydrophobicContact CG2-CG2 4.39Å |
| 408 | L | 97.6 | Very high | 94.3 | Very high | 57 Ų | 57 | 25.6 Ų | 25.6 | 30% | 0.298 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130 | 170.8 | -177.7 | 155 | 0 | 0 | 0 | 109.4 | Q410 A443 A470 Y471 | L408-Q410 HydrophobicContact CD2-CB 4.04Å; L408-A443 CarbonylContact C-O 3.59Å; L408-A443 WeakPolarHBondContact CA-O 3.19Å; L408-A470 CarbonylContact O-C 3.57Å; L408-A470 WeakPolarHBondContact O-CA 3.41Å; L408-Y471 HydrophobicContact CD2-CD2 3.63Å; L408-Y471 HydrophobicContact CD2-CE2 4.16Å; L408-Y471 HydrophobicContact CD2-CG 4.37Å; L408-Y471 PolarHBondContact N-O 3.27Å; L408-Y471 PolarHBondContact O-N 2.93Å |
| 409 | I | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 120.7 | 176.6 | -55.7 | -59.4 | 0 | 0 | 0 | 107.6 | L396 V407 L441 L442 A443 Y445 L456 L468 Q469 A470 | L396-I409 HydrophobicContact CD2-CD1 4.35Å; V407-I409 HydrophobicContact CG1-CD1 3.73Å; V407-I409 HydrophobicContact CG1-CG1 4.41Å; I409-L441 HydrophobicContact CG2-CD2 4.4Å; I409-L442 WeakPolarHBondContact O-CA 3.37Å; I409-A443 HydrophobicContact CB-CB 4.41Å; I409-A443 PolarHBondContact N-O 3.06Å; I409-A443 PolarHBondContact O-N 2.95Å; I409-Y445 HydrophobicContact CG1-CD2 4.19Å; I409-Y445 HydrophobicContact CG1-CE2 4.18Å; I409-L456 HydrophobicContact CD1-CD1 3.65Å; I409-L456 HydrophobicContact CG1-CD1 3.82Å; I409-L468 HydrophobicContact CG2-CD1 3.53Å; I409-L468 HydrophobicContact CG2-CG 4.47Å; I409-Q469 WeakPolarHBondContact CA-O 3.49Å; I409-A470 HydrophobicContact CD1-CB 3.76Å |
| 410 | Q | 96.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 33.6 Ų | 33.6 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137 | 174.6 | 177 | -81.8 | -32.4 | 0 | 0 | 108.6 | L408 N439 L441 L442 Q469 Y471 | L408-Q410 HydrophobicContact CD2-CB 4.04Å; Q410-N439 VanDerWaalsContact CG-OD1 3.27Å; Q410-N439 WeakPolarHBondContact CG-OD1 3.41Å; Q410-N439 PolarHBondContact NE2-OD1 2.95Å; Q410-L441 WeakPolarHBondContact CA-O 3.39Å; Q410-L442 HydrophobicContact CB-CD2 3.77Å; Q410-L442 HydrophobicContact CG-CD2 3.61Å; Q410-Q469 HydrophobicContact CB-CB 4.42Å; Q410-Q469 PolarHBondContact N-O 3.18Å; Q410-Q469 PolarHBondContact O-N 3.48Å; Q410-Y471 HydrophobicContact CB-CE2 4.3Å |
| 411 | S | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.3 | 177.7 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | V413 F440 L441 | S411-V413 VanDerWaalsContact C-N 3.28Å; S411-V413 WeakPolarHBondContact CB-O 3.31Å; S411-V413 VanDerWaalsContact OG-CG2 3.28Å; S411-V413 WeakPolarHBondContact OG-CG2 3.18Å; S411-V413 PolarHBondContact OG-N 3.33Å; S411-V413 PolarHBondContact OG-O 2.83Å; S411-F440 PolarHBondContact O-N 2.82Å; S411-L441 PolarHBondContact N-O 2.9Å; S411-L441 PolarHBondContact O-N 2.75Å |
| 412 | D | 94.6 | Very high | 91.3 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 23% | 0.225 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -88.7 | 3.7 | 168.8 | 66.9 | 7.7 | 0 | 0 | 0 | 112.6 | D438 F440 G466 T467 | D412-D438 WeakPolarHBondContact CA-O 3.48Å; D412-F440 WeakPolarHBondContact O-CD2 3.44Å; D412-F440 VanDerWaalsContact O-CE2 3.25Å; D412-F440 WeakPolarHBondContact O-CE2 3.5Å; D412-G466 VanDerWaalsContact OD1-CA 3.29Å; D412-G466 WeakPolarHBondContact OD1-CA 3.38Å; D412-T467 PolarHBondContact N-O 3.37Å; D412-T467 PolarHBondContact OD1-N 2.9Å; D412-T467 VanDerWaalsContact OD1-O 3.08Å; D412-T467 WeakPolarHBondContact OD2-CB 3.19Å; D412-T467 PolarHBondContact OD2-N 3.05Å; D412-T467 PolarHBondContact OD2-OG1 2.76Å |
| 413 | V | 93.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -127.2 | 148.9 | 175.1 | -75.4 | 0 | 0 | 0 | 0 | 112.1 | S411 I415 Y465 I488 | S411-V413 VanDerWaalsContact C-N 3.28Å; S411-V413 WeakPolarHBondContact CB-O 3.31Å; S411-V413 VanDerWaalsContact OG-CG2 3.28Å; S411-V413 WeakPolarHBondContact OG-CG2 3.18Å; S411-V413 PolarHBondContact OG-N 3.33Å; S411-V413 PolarHBondContact OG-O 2.83Å; V413-I415 HydrophobicContact CG2-CG2 4.04Å; V413-I415 PolarHBondContact O-N 3.05Å; V413-Y465 VanDerWaalsContact CG1-O 3.29Å; V413-Y465 WeakPolarHBondContact CG1-O 3.37Å; V413-I488 HydrophobicContact CG2-CB 4.18Å; V413-I488 HydrophobicContact CG2-CG1 3.99Å |
| 414 | P | 91.9 | Very high | 90.4 | Very high | 45 Ų | 45 | 45.4 Ų | 45.4 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | trans | -60 | 119.6 | 170.5 | -19.1 | 31.5 | 0 | 0 | 0 | 110.6 | F440 I461 Q464 | P414-F440 HydrophobicContact CG-CD1 3.64Å; P414-F440 HydrophobicContact CG-CE1 4.01Å; P414-F440 HydrophobicContact CG-CG 4.19Å; P414-I461 HydrophobicContact CB-CD1 4.47Å; P414-Q464 VanDerWaalsContact CB-OE1 3.28Å | ||
| 415 | I | 93.2 | Very high | 90.1 | Very high | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.9 | 176.4 | 52 | 154.3 | 0 | 0 | 0 | 109.8 | V413 L417 L441 I458 R459 L468 | V413-I415 HydrophobicContact CG2-CG2 4.04Å; V413-I415 PolarHBondContact O-N 3.05Å; I415-L417 HydrophobicContact CD1-CD2 4.25Å; I415-L441 HydrophobicContact CD1-CD2 3.48Å; I415-L441 VanDerWaalsContact CD1-CD2 3.48Å; I415-L441 HydrophobicContact CG1-CB 4.27Å; I415-L441 HydrophobicContact CG1-CD2 3.64Å; I415-I458 HydrophobicContact CB-CG2 4.01Å; I415-I458 HydrophobicContact CD1-CG2 3.65Å; I415-I458 HydrophobicContact CG1-CG2 4.46Å; I415-I458 HydrophobicContact CG2-CG2 4.18Å; I415-R459 VanDerWaalsContact CA-O 3.32Å; I415-R459 WeakPolarHBondContact CA-O 3.43Å; I415-R459 WeakPolarHBondContact CB-O 3.4Å; I415-L468 HydrophobicContact CD1-CD1 3.52Å |
| 416 | D | 91.1 | Very high | 89.9 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 42% | 0.417 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.9 | 172.2 | -48.5 | -45 | 0 | 0 | 0 | 109.7 | I458 R459 | D416-I458 WeakPolarHBondContact O-CA 3.46Å; D416-R459 HydrophobicContact CB-CB 4.05Å; D416-R459 PolarHBondContact N-O 3.41Å; D416-R459 PolarHBondContact O-N 2.69Å |
| 417 | L | 91.3 | Very high | 89.8 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 12% | 0.12 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.3 | 168.1 | -61.6 | -176.5 | 0 | 0 | 0 | 108.7 | I415 F429 L441 A443 Y445 K457 I458 | I415-L417 HydrophobicContact CD1-CD2 4.25Å; L417-F429 HydrophobicContact CB-CE1 4.36Å; L417-F429 HydrophobicContact CB-CZ 4.34Å; L417-F429 HydrophobicContact CD1-CE1 4Å; L417-F429 HydrophobicContact CD1-CZ 4.48Å; L417-F429 HydrophobicContact CG-CE1 4.47Å; L417-L441 HydrophobicContact CD1-CD2 3.74Å; L417-L441 HydrophobicContact CD2-CD2 4.11Å; L417-L441 HydrophobicContact CG-CD2 3.67Å; L417-A443 HydrophobicContact CD1-CB 3.49Å; L417-A443 VanDerWaalsContact CD1-CB 3.49Å; L417-Y445 HydrophobicContact CD1-CE2 3.81Å; L417-Y445 WeakPolarHBondContact CD1-OH 3.39Å; L417-K457 WeakPolarHBondContact CA-O 3.41Å; L417-I458 HydrophobicContact CD2-CD1 4.23Å; L417-I458 HydrophobicContact CD2-CG1 3.79Å; L417-I458 HydrophobicContact CD2-CG2 4.47Å |
| 418 | L | 87.4 | Confident | 89.6 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 143.5 | 179.1 | -52.1 | 174.6 | 0 | 0 | 0 | 110.1 | K457 | L418-K457 HydrophobicContact CB-CB 3.8Å; L418-K457 HydrophobicContact CD1-CB 4.28Å; L418-K457 HydrophobicContact CG-CB 4.39Å; L418-K457 PolarHBondContact N-O 2.93Å |
| 419 | D | 80.9 | Confident | 89.4 | Confident | 146 Ų | 146 | 53.9 Ų | 53.9 | 78% | 0.781 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 142.1 | 173.7 | -68.8 | -36.4 | 0 | 0 | 0 | 111 | ||
| 420 | V | 81.6 | Confident | 89.2 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | trans | -123.7 | 115.8 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 107.1 | K422 N423 K457 | V420-K422 HydrophobicContact CG1-CB 4.36Å; V420-K422 PolarHBondContact O-N 2.57Å; V420-K422 VanDerWaalsContact O-N 3.12Å; V420-N423 HydrophobicContact CB-CB 3.99Å; V420-N423 HydrophobicContact CG1-CB 4.36Å; V420-N423 VanDerWaalsContact O-CB 3.23Å; V420-N423 WeakPolarHBondContact O-CB 3.19Å; V420-N423 PolarHBondContact O-N 3.36Å; V420-K457 HydrophobicContact CG2-CB 4.06Å; V420-K457 HydrophobicContact CG2-CD 4.22Å; V420-K457 HydrophobicContact CG2-CG 3.81Å | ||
| 421 | D | 77.3 | Confident | 88.8 | Confident | 156 Ų | 156 | 61.1 Ų | 61.1 | 83% | 0.834 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.3 | -173.4 | -56.7 | -41.6 | 0 | 0 | 0 | 113.4 | N423 | D421-N423 PolarHBondContact O-N 3.3Š|
| 422 | K | 76.4 | Confident | 88.3 | Confident | 136 Ų | 136 | 63.2 Ų | 63.2 | 59% | 0.591 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -14.2 | 176.1 | -64.2 | -176 | -178.9 | 177.3 | 0 | 113.3 | D263 V420 | D263-K422 IonicContact OD2-NZ 2.75Å; V420-K422 HydrophobicContact CG1-CB 4.36Å; V420-K422 PolarHBondContact O-N 2.57Å; V420-K422 VanDerWaalsContact O-N 3.12Å |
| 423 | N | 82 | Confident | 87.6 | Confident | 35 Ų | 35 | 66 Ų | 66 | 19% | 0.187 | 38% | 0.375 | C | S | . | . | trans | -87.7 | 116.3 | -176.4 | -174.3 | 1.5 | 0 | 0 | 0 | 110.5 | V420 D421 A425 L454 E455 | V420-N423 HydrophobicContact CB-CB 3.99Å; V420-N423 HydrophobicContact CG1-CB 4.36Å; V420-N423 VanDerWaalsContact O-CB 3.23Å; V420-N423 WeakPolarHBondContact O-CB 3.19Å; V420-N423 PolarHBondContact O-N 3.36Å; D421-N423 PolarHBondContact O-N 3.3Å; N423-A425 WeakPolarHBondContact OD1-CB 3.47Å; N423-A425 PolarHBondContact OD1-N 3.45Å; N423-L454 WeakPolarHBondContact ND2-CD1 3.05Å; N423-L454 VanDerWaalsContact OD1-CD1 3.22Å; N423-L454 WeakPolarHBondContact OD1-CD1 3.19Å; N423-E455 PolarHBondContact ND2-O 3.19Å | ||
| 424 | S | 85.2 | Confident | 86.6 | Confident | 53 Ų | 53 | 68.7 Ų | 68.7 | 37% | 0.371 | 39% | 0.393 | S | S | . | . | trans | -90.1 | -1.8 | 177.7 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | Q448 | S424-Q448 WeakPolarHBondContact O-CG 3.41Å; S424-Q448 PolarHBondContact O-NE2 2.96Å | ||
| 425 | A | 89.3 | Confident | 85.7 | Confident | 12 Ų | 12 | 76 Ų | 76 | 10% | 0.099 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 143.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N423 Y445 R446 L454 | N423-A425 WeakPolarHBondContact OD1-CB 3.47Å; N423-A425 PolarHBondContact OD1-N 3.45Å; A425-Y445 HydrophobicContact CB-CD1 4.07Å; A425-R446 VanDerWaalsContact CA-O 3.29Å; A425-R446 WeakPolarHBondContact CA-O 3.18Å; A425-R446 WeakPolarHBondContact CB-O 3.43Å; A425-L454 HydrophobicContact CB-CD1 3.98Å |
| 426 | V | 90.8 | Very high | 84.8 | Confident | 92 Ų | 92 | 79.1 Ų | 79.1 | 56% | 0.558 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.8 | 174.5 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | R446 | V426-R446 PolarHBondContact N-O 3.47Å; V426-R446 PolarHBondContact O-N 2.77Å |
| 427 | V | 93.8 | Very high | 84 | Confident | 41 Ų | 41 | 80.1 Ų | 80.1 | 25% | 0.248 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.2 | -179.5 | -162.9 | 0 | 0 | 0 | 0 | 110.2 | F429 T444 Y445 | V427-F429 HydrophobicContact CB-CE2 4.47Å; V427-F429 HydrophobicContact CG1-CD2 4.27Å; V427-F429 HydrophobicContact CG1-CE2 3.74Å; V427-F429 HydrophobicContact CG1-CZ 3.88Å; V427-T444 WeakPolarHBondContact CA-O 2.94Å; V427-Y445 HydrophobicContact CB-CD1 4.46Å; V427-Y445 HydrophobicContact CB-CE1 4.17Å; V427-Y445 HydrophobicContact CG1-CD1 4.45Å; V427-Y445 HydrophobicContact CG1-CD2 4.49Å; V427-Y445 HydrophobicContact CG1-CE1 4Å; V427-Y445 HydrophobicContact CG1-CE2 4.01Å; V427-Y445 HydrophobicContact CG2-CD1 3.6Å; V427-Y445 HydrophobicContact CG2-CE1 3.18Å; V427-Y445 HydrophobicContact CG2-CG 4.49Å |
| 428 | S | 93.8 | Very high | 83.5 | Confident | 49 Ų | 49 | 84 Ų | 84 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 123 | 167.3 | 63.1 | 0 | 0 | 0 | 0 | 110 | A443 T444 | S428-A443 WeakPolarHBondContact O-CA 3.45Å; S428-T444 PolarHBondContact N-O 3.48Å; S428-T444 PolarHBondContact O-N 3.36Å; S428-T444 PolarHBondContact OG-O 2.67Å |
| 429 | F | 93.9 | Very high | 83.6 | Confident | 121 Ų | 121 | 83.6 Ų | 83.6 | 53% | 0.531 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 122.7 | 173.7 | -64.4 | -85.6 | 0 | 0 | 0 | 109.6 | L417 V427 L441 A443 | L417-F429 HydrophobicContact CB-CE1 4.36Å; L417-F429 HydrophobicContact CB-CZ 4.34Å; L417-F429 HydrophobicContact CD1-CE1 4Å; L417-F429 HydrophobicContact CD1-CZ 4.48Å; L417-F429 HydrophobicContact CG-CE1 4.47Å; V427-F429 HydrophobicContact CB-CE2 4.47Å; V427-F429 HydrophobicContact CG1-CD2 4.27Å; V427-F429 HydrophobicContact CG1-CE2 3.74Å; V427-F429 HydrophobicContact CG1-CZ 3.88Å; F429-L441 HydrophobicContact CD1-CD1 3.87Å; F429-L441 HydrophobicContact CE1-CD1 3.98Å; F429-A443 HydrophobicContact CD1-CB 3.98Å; F429-A443 HydrophobicContact CE1-CB 4.02Å |
| 430 | S | 93 | Very high | 84.1 | Confident | 61 Ų | 61 | 80.9 Ų | 80.9 | 43% | 0.427 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 146.6 | 174.3 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | C432 L442 | S430-C432 PolarHBondContact O-N 3.22Å; S430-C432 PolarHBondContact O-SG 3.01Å; S430-L442 PolarHBondContact N-O 2.72Å |
| 431 | S | 87.6 | Confident | 84.7 | Confident | 112 Ų | 112 | 80.7 Ų | 80.7 | 78% | 0.783 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 129.5 | 171.4 | 53.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 432 | C | 85.4 | Confident | 85.6 | Confident | 43 Ų | 43 | 75.1 Ų | 75.1 | 29% | 0.291 | 42% | 0.421 | S | S | . | . | trans | -108.2 | 132.8 | -178.7 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | S430 N439 L442 | S430-C432 PolarHBondContact O-N 3.22Å; S430-C432 PolarHBondContact O-SG 3.01Å; C432-N439 WeakPolarHBondContact CB-O 3.48Å; C432-L442 PolarHBondContact SG-N 3.27Å | ||
| 433 | D | 79.6 | Confident | 86.5 | Confident | 101 Ų | 101 | 68.6 Ų | 68.6 | 54% | 0.54 | 39% | 0.392 | S | S | . | . | trans | -105.6 | 93.6 | 171.7 | -65.9 | -19.3 | 0 | 0 | 0 | 108.4 | E435 S436 N437 | D433-E435 VanDerWaalsContact C-N 3.25Å; D433-E435 PolarHBondContact O-N 3.34Å; D433-S436 VanDerWaalsContact CB-OG 3.22Å; D433-S436 WeakPolarHBondContact CB-OG 3.23Å; D433-S436 PolarHBondContact O-N 3.44Å; D433-N437 PolarHBondContact O-N 3.35Å | ||
| 434 | S | 72.3 | Confident | 87.2 | Confident | 63 Ų | 63 | 68 Ų | 68 | 44% | 0.441 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.6 | -28.1 | -177.9 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 435 | E | 73.3 | Confident | 87.7 | Confident | 198 Ų | 198 | 65.7 Ų | 65.7 | 93% | 0.925 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -74.4 | -29.4 | -179.1 | -62.8 | -171.6 | 169.6 | 0 | 0 | 114 | D433 | D433-E435 VanDerWaalsContact C-N 3.25Å; D433-E435 PolarHBondContact O-N 3.34Å |
| 436 | S | 74 | Confident | 88 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -104.8 | -35.5 | -171.3 | 62.7 | 0 | 0 | 0 | 0 | 113.7 | D433 | D433-S436 VanDerWaalsContact CB-OG 3.22Å; D433-S436 WeakPolarHBondContact CB-OG 3.23Å; D433-S436 PolarHBondContact O-N 3.44Å |
| 437 | N | 75.3 | Confident | 88 | Confident | 100 Ų | 100 | 69 Ų | 69 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -122.2 | 4 | -168.3 | -63.8 | -42.7 | 0 | 0 | 0 | 114.2 | D433 N439 | D433-N437 PolarHBondContact O-N 3.35Å; N437-N439 PolarHBondContact O-N 3.17Å; N437-N439 PolarHBondContact O-ND2 2.89Å |
| 438 | D | 81.3 | Confident | 87.6 | Confident | 104 Ų | 104 | 72.2 Ų | 72.2 | 56% | 0.556 | 39% | 0.386 | S | S | * | . | trans | 55.5 | 19.5 | -178.9 | -148.9 | 20.7 | 0 | 0 | 0 | 113.7 | D412 | D412-D438 WeakPolarHBondContact CA-O 3.48Š| ||
| 439 | N | 88.8 | Confident | 86.8 | Confident | 31 Ų | 31 | 73 Ų | 73 | 17% | 0.166 | 40% | 0.396 | C | S | . | . | trans | -96.1 | 115.1 | 178.9 | -68.8 | -44.6 | 0 | 0 | 0 | 109 | Q410 C432 N437 L442 | Q410-N439 VanDerWaalsContact CG-OD1 3.27Å; Q410-N439 WeakPolarHBondContact CG-OD1 3.41Å; Q410-N439 PolarHBondContact NE2-OD1 2.95Å; C432-N439 WeakPolarHBondContact CB-O 3.48Å; N437-N439 PolarHBondContact O-N 3.17Å; N437-N439 PolarHBondContact O-ND2 2.89Å; N439-L442 HydrophobicContact CB-CD1 4.35Å; N439-L442 HydrophobicContact CB-CG 4.23Å | ||
| 440 | F | 91.9 | Very high | 86.4 | Confident | 90 Ų | 90 | 73.9 Ų | 73.9 | 40% | 0.395 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -90.4 | -25.9 | 173.5 | -73.5 | -94.7 | 0 | 0 | 0 | 112.2 | S411 D412 P414 | S411-F440 PolarHBondContact O-N 2.82Å; D412-F440 WeakPolarHBondContact O-CD2 3.44Å; D412-F440 VanDerWaalsContact O-CE2 3.25Å; D412-F440 WeakPolarHBondContact O-CE2 3.5Å; P414-F440 HydrophobicContact CG-CD1 3.64Å; P414-F440 HydrophobicContact CG-CE1 4.01Å; P414-F440 HydrophobicContact CG-CG 4.19Å |
| 441 | L | 93.8 | Very high | 86.2 | Confident | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.094 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 135.4 | 176 | -178.9 | 73.1 | 0 | 0 | 0 | 111.3 | I409 Q410 S411 I415 L417 F429 | I409-L441 HydrophobicContact CG2-CD2 4.4Å; Q410-L441 WeakPolarHBondContact CA-O 3.39Å; S411-L441 PolarHBondContact N-O 2.9Å; S411-L441 PolarHBondContact O-N 2.75Å; I415-L441 HydrophobicContact CD1-CD2 3.48Å; I415-L441 VanDerWaalsContact CD1-CD2 3.48Å; I415-L441 HydrophobicContact CG1-CB 4.27Å; I415-L441 HydrophobicContact CG1-CD2 3.64Å; L417-L441 HydrophobicContact CD1-CD2 3.74Å; L417-L441 HydrophobicContact CD2-CD2 4.11Å; L417-L441 HydrophobicContact CG-CD2 3.67Å; F429-L441 HydrophobicContact CD1-CD1 3.87Å; F429-L441 HydrophobicContact CE1-CD1 3.98Å |
| 442 | L | 95.4 | Very high | 86.5 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 20% | 0.199 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 108.5 | 167.1 | -69.1 | 173 | 0 | 0 | 0 | 108.9 | I409 Q410 S430 C432 N439 | I409-L442 WeakPolarHBondContact O-CA 3.37Å; Q410-L442 HydrophobicContact CB-CD2 3.77Å; Q410-L442 HydrophobicContact CG-CD2 3.61Å; S430-L442 PolarHBondContact N-O 2.72Å; C432-L442 PolarHBondContact SG-N 3.27Å; N439-L442 HydrophobicContact CB-CD1 4.35Å; N439-L442 HydrophobicContact CB-CG 4.23Å |
| 443 | A | 95.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L408 I409 L417 S428 F429 Y445 | L408-A443 CarbonylContact C-O 3.59Å; L408-A443 WeakPolarHBondContact CA-O 3.19Å; I409-A443 HydrophobicContact CB-CB 4.41Å; I409-A443 PolarHBondContact N-O 3.06Å; I409-A443 PolarHBondContact O-N 2.95Å; L417-A443 HydrophobicContact CD1-CB 3.49Å; L417-A443 VanDerWaalsContact CD1-CB 3.49Å; S428-A443 WeakPolarHBondContact O-CA 3.45Å; F429-A443 HydrophobicContact CD1-CB 3.98Å; F429-A443 HydrophobicContact CE1-CB 4.02Å; A443-Y445 HydrophobicContact CB-CE2 4.25Å |
| 444 | T | 96.8 | Very high | 87.5 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 14% | 0.135 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.3 | 173.3 | -57.5 | 0 | 0 | 0 | 0 | 109.6 | N406 V427 S428 R446 | N406-T444 HydrophobicContact CB-CG2 4.4Å; V427-T444 WeakPolarHBondContact CA-O 2.94Å; S428-T444 PolarHBondContact N-O 3.48Å; S428-T444 PolarHBondContact O-N 3.36Å; S428-T444 PolarHBondContact OG-O 2.67Å; T444-R446 HydrophobicContact CG2-CG 4.35Å |
| 445 | Y | 96.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115.3 | 172.2 | -72.9 | -98.5 | 0 | 0 | 0 | 109.1 | N406 V407 I409 L417 A425 V427 A443 L454 L456 | N406-Y445 CarbonylContact C-O 3.5Å; N406-Y445 WeakPolarHBondContact CA-O 3.42Å; N406-Y445 WeakPolarHBondContact CB-O 3.27Å; V407-Y445 PolarHBondContact N-O 3.34Å; V407-Y445 PolarHBondContact O-N 2.84Å; I409-Y445 HydrophobicContact CG1-CD2 4.19Å; I409-Y445 HydrophobicContact CG1-CE2 4.18Å; L417-Y445 HydrophobicContact CD1-CE2 3.81Å; L417-Y445 WeakPolarHBondContact CD1-OH 3.39Å; A425-Y445 HydrophobicContact CB-CD1 4.07Å; V427-Y445 HydrophobicContact CB-CD1 4.46Å; V427-Y445 HydrophobicContact CB-CE1 4.17Å; V427-Y445 HydrophobicContact CG1-CD1 4.45Å; V427-Y445 HydrophobicContact CG1-CD2 4.49Å; V427-Y445 HydrophobicContact CG1-CE1 4Å; V427-Y445 HydrophobicContact CG1-CE2 4.01Å; V427-Y445 HydrophobicContact CG2-CD1 3.6Å; V427-Y445 HydrophobicContact CG2-CE1 3.18Å; V427-Y445 HydrophobicContact CG2-CG 4.49Å; A443-Y445 HydrophobicContact CB-CE2 4.25Å; Y445-L454 HydrophobicContact CG-CD2 4.31Å; Y445-L456 HydrophobicContact CD1-CD2 3.68Å; Y445-L456 HydrophobicContact CD2-CD1 4.32Å; Y445-L456 HydrophobicContact CD2-CD2 4.09Å; Y445-L456 HydrophobicContact CE1-CD2 3.32Å; Y445-L456 HydrophobicContact CE2-CD1 4.17Å; Y445-L456 HydrophobicContact CE2-CD2 3.79Å; Y445-L456 HydrophobicContact CG-CD2 4.05Å; Y445-L456 VanDerWaalsContact CZ-CD2 3.41Å |
| 446 | R | 95.3 | Very high | 89.4 | Confident | 168 Ų | 168 | 52 Ų | 52 | 63% | 0.634 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 113.5 | 172.5 | -66.8 | -176.5 | -177 | 173.7 | 2.6 | 109.1 | A425 V426 T444 | A425-R446 VanDerWaalsContact CA-O 3.29Å; A425-R446 WeakPolarHBondContact CA-O 3.18Å; A425-R446 WeakPolarHBondContact CB-O 3.43Å; V426-R446 PolarHBondContact N-O 3.47Å; V426-R446 PolarHBondContact O-N 2.77Å; T444-R446 HydrophobicContact CG2-CG 4.35Å |
| 447 | C | 91 | Very high | 90.3 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 137.8 | -176.1 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | I404 D405 T451 R475 | I404-C447 HydrophobicContact CB-CB 4.24Å; I404-C447 HydrophobicContact CG2-CB 4.38Å; I404-C447 WeakPolarHBondContact O-CB 3.47Å; D405-C447 PolarHBondContact O-N 2.62Å; D405-C447 VanDerWaalsContact O-N 3.15Å; C447-T451 HydrophobicContact CB-CG2 4.36Å; C447-R475 PolarHBondContact O-NH2 2.84Å |
| 448 | Q | 84.1 | Confident | 91.3 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 51% | 0.505 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -67.5 | 165.9 | 170.6 | -63 | -173.2 | 13.6 | 0 | 0 | 110.4 | S424 N450 T451 | S424-Q448 WeakPolarHBondContact O-CG 3.41Å; S424-Q448 PolarHBondContact O-NE2 2.96Å; Q448-N450 PolarHBondContact O-N 2.84Å; Q448-T451 PolarHBondContact O-N 3.22Å; Q448-T451 PolarHBondContact O-OG1 3.34Å |
| 449 | A | 78.9 | Confident | 91.9 | Very high | 65 Ų | 65 | 41.5 Ų | 41.5 | 54% | 0.537 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 142 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T451 | A449-T451 VanDerWaalsContact C-N 3.29Å; A449-T451 PolarHBondContact O-N 2.89Å |
| 450 | N | 83.6 | Confident | 92.1 | Very high | 140 Ų | 140 | 40.1 Ų | 40.1 | 75% | 0.749 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 19.2 | 175.9 | -53.8 | -25.7 | 0 | 0 | 0 | 116.6 | Q448 T452 | Q448-N450 PolarHBondContact O-N 2.84Å; N450-T452 PolarHBondContact O-N 3.16Å |
| 451 | T | 90.8 | Very high | 92.1 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 14% | 0.135 | 20% | 0.196 | C | C | . | . | trans | -81.7 | 110 | 173.2 | -50.6 | 0 | 0 | 0 | 0 | 110.3 | A403 I404 C447 Q448 A449 R453 | A403-T451 CarbonylContact C-O 3.13Å; A403-T451 WeakPolarHBondContact CA-O 3.36Å; I404-T451 PolarHBondContact N-O 2.74Å; C447-T451 HydrophobicContact CB-CG2 4.36Å; Q448-T451 PolarHBondContact O-N 3.22Å; Q448-T451 PolarHBondContact O-OG1 3.34Å; A449-T451 VanDerWaalsContact C-N 3.29Å; A449-T451 PolarHBondContact O-N 2.89Å; T451-R453 WeakPolarHBondContact CG2-O 3.34Å | ||
| 452 | T | 91.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 9% | 0.092 | 20% | 0.197 | C | C | . | . | trans | -96 | -22.3 | 177.5 | 46.5 | 0 | 0 | 0 | 0 | 113.1 | E399 V400 N450 | E399-T452 WeakPolarHBondContact CA-O 3.38Å; V400-T452 PolarHBondContact N-O 3.01Å; V400-T452 WeakPolarHBondContact O-CB 3.46Å; N450-T452 PolarHBondContact O-N 3.16Å | ||
| 453 | R | 92.7 | Very high | 91.7 | Very high | 40 Ų | 40 | 39 Ų | 39 | 15% | 0.151 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.6 | -179.9 | -176.4 | -178 | -178.5 | -75.5 | 3.9 | 110.5 | D262 I397 L398 E399 T451 E455 | D262-R453 PolarHBondContact O-NE 2.82Å; I397-R453 VanDerWaalsContact CD1-NH2 3.29Å; I397-R453 HydrophobicContact CG2-CG 4.05Å; L398-R453 CarbonylContact O-C 3.54Å; L398-R453 WeakPolarHBondContact O-CA 3.47Å; E399-R453 HydrophobicContact CB-CB 4.39Å; E399-R453 HydrophobicContact CB-CG 4.33Å; E399-R453 HydrophobicContact CG-CB 4.2Å; T451-R453 WeakPolarHBondContact CG2-O 3.34Å; R453-E455 IonicContact CZ-OE2 3.73Å; R453-E455 IonicContact NH1-OE2 3.99Å; R453-E455 PolarHBondContact NH1-OE2 3.23Å; R453-E455 IonicContact NH2-OE2 2.69Å; R453-E455 PolarHBondContact NH2-OE2 3.14Å; R453-E455 VanDerWaalsContact NH2-OE2 3.15Å |
| 454 | L | 93.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.3 | 174 | -176.6 | 68.1 | 0 | 0 | 0 | 109.4 | I397 L398 I404 V407 N423 A425 Y445 L456 | I397-L454 WeakPolarHBondContact CA-O 3.48Å; L398-L454 PolarHBondContact N-O 2.96Å; L398-L454 PolarHBondContact O-N 2.88Å; I404-L454 HydrophobicContact CD1-CB 4.23Å; V407-L454 HydrophobicContact CB-CD2 3.82Å; V407-L454 HydrophobicContact CG1-CD2 4.4Å; V407-L454 HydrophobicContact CG2-CD2 3.54Å; N423-L454 WeakPolarHBondContact ND2-CD1 3.05Å; N423-L454 VanDerWaalsContact OD1-CD1 3.22Å; N423-L454 WeakPolarHBondContact OD1-CD1 3.19Å; A425-L454 HydrophobicContact CB-CD1 3.98Å; Y445-L454 HydrophobicContact CG-CD2 4.31Å; L454-L456 HydrophobicContact CD1-CD2 4.24Å; L454-L456 HydrophobicContact CD2-CD1 4.24Å; L454-L456 HydrophobicContact CD2-CD2 4.04Å; L454-L456 HydrophobicContact CD2-CG 4.23Å; L454-L456 HydrophobicContact CG-CD2 3.96Å; L454-L456 HydrophobicContact CG-CG 4.17Å |
| 455 | E | 93.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 44.1 Ų | 44.1 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128.5 | 175.9 | -177.6 | 172.4 | 157.1 | 0 | 0 | 109.9 | L396 I397 N423 R453 | L396-E455 WeakPolarHBondContact O-CA 3.28Å; I397-E455 HydrophobicContact CG1-CB 4.26Å; I397-E455 HydrophobicContact CG1-CG 3.89Å; N423-E455 PolarHBondContact ND2-O 3.19Å; R453-E455 IonicContact CZ-OE2 3.73Å; R453-E455 IonicContact NH1-OE2 3.99Å; R453-E455 PolarHBondContact NH1-OE2 3.23Å; R453-E455 IonicContact NH2-OE2 2.69Å; R453-E455 PolarHBondContact NH2-OE2 3.14Å; R453-E455 VanDerWaalsContact NH2-OE2 3.15Å |
| 456 | L | 93.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.3 | -177.1 | -54.8 | 178 | 0 | 0 | 0 | 108.9 | S395 L396 I409 Y445 L454 | S395-L456 WeakPolarHBondContact CA-O 3.44Å; L396-L456 HydrophobicContact CB-CB 4.34Å; L396-L456 HydrophobicContact CD2-CD1 4.42Å; L396-L456 PolarHBondContact N-O 2.97Å; L396-L456 PolarHBondContact O-N 2.75Å; I409-L456 HydrophobicContact CD1-CD1 3.65Å; I409-L456 HydrophobicContact CG1-CD1 3.82Å; Y445-L456 HydrophobicContact CD1-CD2 3.68Å; Y445-L456 HydrophobicContact CD2-CD1 4.32Å; Y445-L456 HydrophobicContact CD2-CD2 4.09Å; Y445-L456 HydrophobicContact CE1-CD2 3.32Å; Y445-L456 HydrophobicContact CE2-CD1 4.17Å; Y445-L456 HydrophobicContact CE2-CD2 3.79Å; Y445-L456 HydrophobicContact CG-CD2 4.05Å; Y445-L456 VanDerWaalsContact CZ-CD2 3.41Å; L454-L456 HydrophobicContact CD1-CD2 4.24Å; L454-L456 HydrophobicContact CD2-CD1 4.24Å; L454-L456 HydrophobicContact CD2-CD2 4.04Å; L454-L456 HydrophobicContact CD2-CG 4.23Å; L454-L456 HydrophobicContact CG-CD2 3.96Å; L454-L456 HydrophobicContact CG-CG 4.17Å |
| 457 | K | 93.4 | Very high | 91.5 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.9 | 171.7 | -79.2 | -171.1 | 179.4 | -165.2 | 0 | 110.2 | D391 Y394 L417 L418 V420 | D391-K457 IonicContact OD2-NZ 3.53Å; D391-K457 PolarHBondContact OD2-NZ 3.29Å; Y394-K457 CarbonylContact O-C 3.55Å; Y394-K457 WeakPolarHBondContact O-CA 3.29Å; L417-K457 WeakPolarHBondContact CA-O 3.41Å; L418-K457 HydrophobicContact CB-CB 3.8Å; L418-K457 HydrophobicContact CD1-CB 4.28Å; L418-K457 HydrophobicContact CG-CB 4.39Å; L418-K457 PolarHBondContact N-O 2.93Å; V420-K457 HydrophobicContact CG2-CB 4.06Å; V420-K457 HydrophobicContact CG2-CD 4.22Å; V420-K457 HydrophobicContact CG2-CG 3.81Å |
| 458 | I | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 117.5 | -171.6 | -51.9 | -173.4 | 0 | 0 | 0 | 108.4 | F385 Y394 L396 I415 D416 L417 L468 | F385-I458 HydrophobicContact CE2-CD1 4.22Å; Y394-I458 PolarHBondContact N-O 3Å; Y394-I458 PolarHBondContact O-N 3.06Å; L396-I458 HydrophobicContact CB-CD1 3.98Å; L396-I458 HydrophobicContact CD2-CD1 4.09Å; I415-I458 HydrophobicContact CB-CG2 4.01Å; I415-I458 HydrophobicContact CD1-CG2 3.65Å; I415-I458 HydrophobicContact CG1-CG2 4.46Å; I415-I458 HydrophobicContact CG2-CG2 4.18Å; D416-I458 WeakPolarHBondContact O-CA 3.46Å; L417-I458 HydrophobicContact CD2-CD1 4.23Å; L417-I458 HydrophobicContact CD2-CG1 3.79Å; L417-I458 HydrophobicContact CD2-CG2 4.47Å; I458-L468 HydrophobicContact CD1-CD1 4.48Å; I458-L468 HydrophobicContact CD1-CD2 3.29Å; I458-L468 HydrophobicContact CD1-CG 4.5Å |
| 459 | R | 93.4 | Very high | 92.4 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 6% | 0.064 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129.4 | 173.4 | -169.7 | 175.6 | -71.2 | 153.3 | -2.5 | 109 | I415 D416 | I415-R459 VanDerWaalsContact CA-O 3.32Å; I415-R459 WeakPolarHBondContact CA-O 3.43Å; I415-R459 WeakPolarHBondContact CB-O 3.4Å; D416-R459 HydrophobicContact CB-CB 4.05Å; D416-R459 PolarHBondContact N-O 3.41Å; D416-R459 PolarHBondContact O-N 2.69Å |
| 460 | S | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 157.6 | 174.5 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | S492 | S460-S492 WeakPolarHBondContact OG-CB 3.27Å; S460-S492 PolarHBondContact OG-OG 2.91Å |
| 461 | I | 91.6 | Very high | 94 | Very high | 69 Ų | 69 | 28.3 Ų | 28.3 | 35% | 0.354 | 14% | 0.143 | S | C | . | . | trans | -105.7 | 127.1 | 174.9 | -56.6 | 174.4 | 0 | 0 | 0 | 107.7 | P414 Q464 | P414-I461 HydrophobicContact CB-CD1 4.47Å; I461-Q464 HydrophobicContact CB-CG 4.42Å; I461-Q464 HydrophobicContact CG2-CG 4.4Å; I461-Q464 PolarHBondContact O-N 2.93Å | ||
| 462 | E | 89.6 | Confident | 94.4 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 139.9 | -179 | -160.9 | 154.9 | -153.7 | 0 | 0 | 110.8 | Q464 L491 L493 H494 N547 I575 | E462-Q464 VanDerWaalsContact C-N 3.28Å; E462-Q464 PolarHBondContact O-N 3.43Å; E462-L491 HydrophobicContact CG-CD2 4.06Å; E462-L491 WeakPolarHBondContact OE1-CA 3.29Å; E462-L491 WeakPolarHBondContact OE1-CD2 3.25Å; E462-L493 HydrophobicContact CB-CD1 4.12Å; E462-H494 IonicContact OE1-CE1 3.92Å; E462-H494 PolarHBondContact OE1-CE1 3.12Å; E462-H494 IonicContact OE1-ND1 3.94Å; E462-H494 PolarHBondContact OE1-ND1 2.98Å; E462-N547 PolarHBondContact OE2-ND2 2.79Å; E462-I575 HydrophobicContact CB-CD1 4.5Å; E462-I575 HydrophobicContact CG-CD1 3.91Å |
| 463 | G | 90.9 | Very high | 94.6 | Very high | 28 Ų | 28 | 27.4 Ų | 27.4 | 29% | 0.289 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -17.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P490 | G463-P490 PolarHBondContact N-O 3.22Š|
| 464 | Q | 93.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 25.5 Ų | 25.5 | 34% | 0.341 | 13% | 0.13 | S | C | . | . | trans | -100.1 | 114.5 | 173 | -59.3 | -178.8 | 8 | 0 | 0 | 109.8 | P414 I461 E462 | P414-Q464 VanDerWaalsContact CB-OE1 3.28Å; I461-Q464 HydrophobicContact CB-CG 4.42Å; I461-Q464 HydrophobicContact CG2-CG 4.4Å; I461-Q464 PolarHBondContact O-N 2.93Å; E462-Q464 VanDerWaalsContact C-N 3.28Å; E462-Q464 PolarHBondContact O-N 3.43Å | ||
| 465 | Y | 95.9 | Very high | 94.7 | Very high | 57 Ų | 57 | 30.9 Ų | 30.9 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | trans | -133.1 | 148.3 | -170.6 | 63 | -89.7 | 0 | 0 | 0 | 112.1 | V413 I488 P490 F526 V579 | V413-Y465 VanDerWaalsContact CG1-O 3.29Å; V413-Y465 WeakPolarHBondContact CG1-O 3.37Å; Y465-I488 WeakPolarHBondContact CA-O 3.31Å; Y465-I488 VanDerWaalsContact CB-O 3.29Å; Y465-I488 WeakPolarHBondContact CB-O 3.29Å; Y465-P490 HydrophobicContact CD1-CB 3.98Å; Y465-P490 HydrophobicContact CD1-CG 3.74Å; Y465-P490 HydrophobicContact CD2-CG 4.23Å; Y465-P490 HydrophobicContact CE1-CG 4.4Å; Y465-P490 HydrophobicContact CG-CB 4.27Å; Y465-P490 HydrophobicContact CG-CG 3.64Å; Y465-F526 AromaticContact CD2-CE1 3.89Å; Y465-F526 HydrophobicContact CD2-CE1 3.89Å; Y465-F526 AromaticContact CD2-CZ 3.66Å; Y465-F526 HydrophobicContact CD2-CZ 3.66Å; Y465-F526 AromaticContact CE2-CE1 3.77Å; Y465-F526 HydrophobicContact CE2-CE1 3.77Å; Y465-F526 AromaticContact CE2-CZ 3.64Å; Y465-F526 HydrophobicContact CE2-CZ 3.64Å; Y465-V579 HydrophobicContact CD1-CG2 4.24Å; Y465-V579 HydrophobicContact CE1-CG2 3.66Å | ||
| 466 | G | 95.6 | Very high | 94.6 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 17% | 0.165 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -155.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D412 H487 I488 | D412-G466 VanDerWaalsContact OD1-CA 3.29Å; D412-G466 WeakPolarHBondContact OD1-CA 3.38Å; G466-H487 WeakPolarHBondContact O-CA 3.42Å; G466-I488 PolarHBondContact N-O 2.85Å; G466-I488 VanDerWaalsContact N-O 3.09Å; G466-I488 PolarHBondContact O-N 3Å |
| 467 | T | 95.9 | Very high | 94.3 | Very high | 31 Ų | 31 | 36.4 Ų | 36.4 | 19% | 0.19 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.9 | -172.7 | -41.6 | 0 | 0 | 0 | 0 | 111.6 | D412 Q469 Q485 Y486 | D412-T467 PolarHBondContact N-O 3.37Å; D412-T467 PolarHBondContact OD1-N 2.9Å; D412-T467 VanDerWaalsContact OD1-O 3.08Å; D412-T467 WeakPolarHBondContact OD2-CB 3.19Å; D412-T467 PolarHBondContact OD2-N 3.05Å; D412-T467 PolarHBondContact OD2-OG1 2.76Å; T467-Q469 HydrophobicContact CG2-CG 4.12Å; T467-Q485 HydrophobicContact CG2-CB 4.19Å; T467-Q485 HydrophobicContact CG2-CG 4.48Å; T467-Y486 WeakPolarHBondContact CA-O 3.41Å |
| 468 | L | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124.8 | 167.3 | 178.4 | 75.5 | 0 | 0 | 0 | 108.9 | F385 L396 I409 I415 I458 Y486 | F385-L468 HydrophobicContact CE2-CD2 4.15Å; F385-L468 HydrophobicContact CZ-CD2 4.45Å; L396-L468 HydrophobicContact CD2-CD2 4.19Å; I409-L468 HydrophobicContact CG2-CD1 3.53Å; I409-L468 HydrophobicContact CG2-CG 4.47Å; I415-L468 HydrophobicContact CD1-CD1 3.52Å; I458-L468 HydrophobicContact CD1-CD1 4.48Å; I458-L468 HydrophobicContact CD1-CD2 3.29Å; I458-L468 HydrophobicContact CD1-CG 4.5Å; L468-Y486 HydrophobicContact CD2-CD2 4.22Å; L468-Y486 PolarHBondContact N-O 3.5Å; L468-Y486 PolarHBondContact O-N 2.84Å |
| 469 | Q | 97.6 | Very high | 94 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.4 | 178.4 | -54.5 | -170.3 | -10.7 | 0 | 0 | 111.1 | I409 Q410 T467 Y471 V483 R484 Q485 | I409-Q469 WeakPolarHBondContact CA-O 3.49Å; Q410-Q469 HydrophobicContact CB-CB 4.42Å; Q410-Q469 PolarHBondContact N-O 3.18Å; Q410-Q469 PolarHBondContact O-N 3.48Å; T467-Q469 HydrophobicContact CG2-CG 4.12Å; Q469-Y471 HydrophobicContact CB-CD2 4.37Å; Q469-Y471 HydrophobicContact CB-CE2 3.72Å; Q469-Y471 PolarHBondContact OE1-OH 2.83Å; Q469-V483 HydrophobicContact CB-CG2 4.23Å; Q469-R484 CarbonylContact C-O 3.58Å; Q469-R484 VanDerWaalsContact CA-O 3.31Å; Q469-R484 WeakPolarHBondContact CA-O 3.43Å; Q469-Q485 HydrophobicContact CG-CG 4.21Å; Q469-Q485 VanDerWaalsContact NE2-NE2 3.19Å |
| 470 | A | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L396 L398 V407 L408 I409 V483 R484 Y486 | L396-A470 HydrophobicContact CD2-CB 4.42Å; L398-A470 HydrophobicContact CD1-CB 4.11Å; V407-A470 HydrophobicContact CG1-CB 4.44Å; L408-A470 CarbonylContact O-C 3.57Å; L408-A470 WeakPolarHBondContact O-CA 3.41Å; I409-A470 HydrophobicContact CD1-CB 3.76Å; A470-V483 CarbonylContact O-C 3.51Å; A470-V483 WeakPolarHBondContact O-CA 3.32Å; A470-R484 PolarHBondContact N-O 2.86Å; A470-R484 PolarHBondContact O-N 3.27Å; A470-Y486 HydrophobicContact CB-CE2 3.93Å |
| 471 | Y | 98 | Very high | 94.1 | Very high | 79 Ų | 79 | 45.2 Ų | 45.2 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 105.3 | 179 | -68.7 | -95.3 | 0 | 0 | 0 | 108.6 | V407 L408 Q410 Q469 C481 V483 | V407-Y471 VanDerWaalsContact CA-O 3.3Å; V407-Y471 WeakPolarHBondContact CA-O 3.24Å; L408-Y471 HydrophobicContact CD2-CD2 3.63Å; L408-Y471 HydrophobicContact CD2-CE2 4.16Å; L408-Y471 HydrophobicContact CD2-CG 4.37Å; L408-Y471 PolarHBondContact N-O 3.27Å; L408-Y471 PolarHBondContact O-N 2.93Å; Q410-Y471 HydrophobicContact CB-CE2 4.3Å; Q469-Y471 HydrophobicContact CB-CD2 4.37Å; Q469-Y471 HydrophobicContact CB-CE2 3.72Å; Q469-Y471 PolarHBondContact OE1-OH 2.83Å; Y471-C481 VanDerWaalsContact CB-SG 3.59Å; Y471-V483 HydrophobicContact CD1-CB 3.96Å; Y471-V483 HydrophobicContact CD1-CG2 4.08Å; Y471-V483 HydrophobicContact CD2-CG2 4.42Å; Y471-V483 HydrophobicContact CE1-CB 3.88Å; Y471-V483 HydrophobicContact CE1-CG2 3.76Å; Y471-V483 HydrophobicContact CE2-CG2 4.11Å; Y471-V483 HydrophobicContact CG-CG2 4.4Å |
| 472 | V | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 120.1 | -173.7 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | I381 L398 V400 V407 C481 Q482 | I381-V472 HydrophobicContact CD1-CB 3.76Å; I381-V472 HydrophobicContact CD1-CG1 4.27Å; I381-V472 HydrophobicContact CD1-CG2 3.94Å; L398-V472 HydrophobicContact CD1-CG2 3.95Å; L398-V472 HydrophobicContact CD2-CG2 4.42Å; V400-V472 HydrophobicContact CG2-CG1 3.82Å; V407-V472 HydrophobicContact CG1-CG2 4.34Å; V407-V472 HydrophobicContact CG2-CG1 4.39Å; V407-V472 HydrophobicContact CG2-CG2 4.39Å; V472-C481 WeakPolarHBondContact O-CA 3.46Å; V472-Q482 PolarHBondContact N-O 2.81Å; V472-Q482 PolarHBondContact O-N 3.09Å; V472-Q482 VanDerWaalsContact O-N 3.13Å |
| 473 | T | 96.8 | Very high | 94.6 | Very high | 17 Ų | 17 | 46 Ų | 46 | 10% | 0.104 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 107.9 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 109.8 | D405 N406 | D405-T473 WeakPolarHBondContact CA-O 3.43Å; D405-T473 HydrophobicContact CB-CG2 4.3Å; D405-T473 VanDerWaalsContact CB-O 3.28Å; D405-T473 WeakPolarHBondContact CB-O 3.49Å; D405-T473 PolarHBondContact N-O 2.96Å; N406-T473 PolarHBondContact N-O 2.98Å; N406-T473 PolarHBondContact O-N 3.14Å |
| 474 | P | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 161.5 | 173 | 26.7 | -28.3 | 0 | 0 | 0 | 113 | F379 V400 T402 I476 T480 | F379-P474 HydrophobicContact CD1-CG 3.9Å; F379-P474 HydrophobicContact CD2-CG 4.06Å; F379-P474 HydrophobicContact CE1-CG 3.66Å; F379-P474 HydrophobicContact CE2-CG 3.78Å; F379-P474 HydrophobicContact CG-CG 4.1Å; F379-P474 HydrophobicContact CZ-CG 3.59Å; V400-P474 HydrophobicContact CG1-CB 4.19Å; T402-P474 VanDerWaalsContact OG1-CB 3.24Å; T402-P474 WeakPolarHBondContact OG1-CB 3.43Å; P474-I476 HydrophobicContact CB-CG1 4.48Å; P474-I476 HydrophobicContact CB-CG2 4.35Å; P474-I476 HydrophobicContact CG-CD1 3.82Å; P474-I476 HydrophobicContact CG-CG1 3.95Å; P474-I476 PolarHBondContact O-N 2.9Å; P474-T480 WeakPolarHBondContact CD-O 3.41Å |
| 475 | R | 93 | Very high | 95.2 | Very high | 116 Ų | 116 | 50.3 Ų | 50.3 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -79 | 61.7 | 172.9 | -64.5 | -174.1 | -177 | -165.6 | 0.6 | 111.7 | A403 D405 C447 | A403-R475 WeakPolarHBondContact O-CB 3.43Å; A403-R475 WeakPolarHBondContact O-CG 3.4Å; A403-R475 PolarHBondContact O-N 2.83Å; D405-R475 HydrophobicContact CB-CG 3.79Å; D405-R475 IonicContact OD1-NE 3.12Å; C447-R475 PolarHBondContact O-NH2 2.84Å |
| 476 | I | 90.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 19% | 0.185 | 24% | 0.236 | C | C | . | . | trans | -116.7 | 160.9 | 173.9 | 65.2 | -177.6 | 0 | 0 | 0 | 111.4 | P377 F379 T402 P474 P478 K479 T480 | P377-I476 HydrophobicContact CB-CD1 4.17Å; P377-I476 HydrophobicContact CG-CD1 3.91Å; P377-I476 HydrophobicContact CG-CG1 4.49Å; F379-I476 HydrophobicContact CD1-CD1 4.05Å; T402-I476 HydrophobicContact CG2-CG2 3.73Å; P474-I476 HydrophobicContact CB-CG1 4.48Å; P474-I476 HydrophobicContact CB-CG2 4.35Å; P474-I476 HydrophobicContact CG-CD1 3.82Å; P474-I476 HydrophobicContact CG-CG1 3.95Å; P474-I476 PolarHBondContact O-N 2.9Å; I476-P478 CarbonylContact O-C 3.55Å; I476-K479 PolarHBondContact O-N 3.33Å; I476-T480 HydrophobicContact CD1-CG2 3.61Å; I476-T480 HydrophobicContact CG1-CG2 4.1Å | ||
| 477 | Q | 87.8 | Confident | 95.3 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 56% | 0.561 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -123 | 124.6 | 176.6 | -170.1 | 67.9 | 28.1 | 0 | 0 | 109.4 | ||
| 478 | P | 89.3 | Confident | 95.3 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 26% | 0.26 | 24% | 0.243 | S | C | . | . | S | Bend | cis | -63.1 | 148.7 | -3.7 | -20.9 | 33.4 | 0 | 0 | 0 | 113.7 | Y363 P377 I476 T480 | Y363-P478 HydrophobicContact CE1-CG 4.35Å; P377-P478 WeakPolarHBondContact CG-O 3.18Å; I476-P478 CarbonylContact O-C 3.55Å; P478-T480 PolarHBondContact O-N 3.05Å |
| 479 | K | 91.8 | Very high | 95.3 | Very high | 132 Ų | 132 | 53.5 Ų | 53.5 | 57% | 0.574 | 25% | 0.252 | S | S | * | . | trans | -63.2 | 135.7 | 172.2 | -73.7 | -161.9 | 177 | -162.4 | 0 | 109.6 | D405 I476 | D405-K479 IonicContact OD2-NZ 3.52Å; D405-K479 PolarHBondContact OD2-NZ 2.98Å; I476-K479 PolarHBondContact O-N 3.33Å | ||
| 480 | T | 94 | Very high | 95.3 | Very high | 17 Ų | 17 | 52 Ų | 52 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | trans | -142.1 | 156 | 177.9 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | V376 P377 F379 P474 I476 P478 | V376-T480 HydrophobicContact CG1-CG2 4.5Å; V376-T480 WeakPolarHBondContact CG1-OG1 3.48Å; P377-T480 HydrophobicContact CG-CG2 3.77Å; F379-T480 HydrophobicContact CD1-CG2 3.91Å; F379-T480 HydrophobicContact CE1-CG2 3.58Å; P474-T480 WeakPolarHBondContact CD-O 3.41Å; I476-T480 HydrophobicContact CD1-CG2 3.61Å; I476-T480 HydrophobicContact CG1-CG2 4.1Å; P478-T480 PolarHBondContact O-N 3.05Å | ||
| 481 | C | 95.7 | Very high | 95.3 | Very high | 58 Ų | 58 | 52 Ų | 52 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | trans | -126.6 | 135 | 175.3 | 177.5 | 0 | 0 | 0 | 0 | 108.2 | Y471 V472 | Y471-C481 VanDerWaalsContact CB-SG 3.59Å; V472-C481 WeakPolarHBondContact O-CA 3.46Å | ||
| 482 | Q | 96.2 | Very high | 95.2 | Very high | 42 Ų | 42 | 48.2 Ų | 48.2 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.4 | 168.6 | -74.5 | -175.7 | 12.3 | 0 | 0 | 109.4 | F379 I381 V472 | F379-Q482 HydrophobicContact CD1-CG 4.39Å; F379-Q482 HydrophobicContact CE1-CB 4.27Å; F379-Q482 HydrophobicContact CE1-CG 3.61Å; F379-Q482 HydrophobicContact CE2-CB 4.4Å; F379-Q482 HydrophobicContact CE2-CG 4.35Å; F379-Q482 HydrophobicContact CZ-CB 3.76Å; F379-Q482 HydrophobicContact CZ-CG 3.6Å; F379-Q482 PolarHBondContact O-NE2 2.64Å; F379-Q482 PolarHBondContact O-OE1 3.3Å; I381-Q482 HydrophobicContact CD1-CB 3.77Å; V472-Q482 PolarHBondContact N-O 2.81Å; V472-Q482 PolarHBondContact O-N 3.09Å; V472-Q482 VanDerWaalsContact O-N 3.13Å |
| 483 | V | 97.2 | Very high | 95.2 | Very high | 68 Ų | 68 | 48.2 Ų | 48.2 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 135.9 | 174.4 | 62.7 | 0 | 0 | 0 | 0 | 110.1 | Q469 A470 Y471 Q485 | Q469-V483 HydrophobicContact CB-CG2 4.23Å; A470-V483 CarbonylContact O-C 3.51Å; A470-V483 WeakPolarHBondContact O-CA 3.32Å; Y471-V483 HydrophobicContact CD1-CB 3.96Å; Y471-V483 HydrophobicContact CD1-CG2 4.08Å; Y471-V483 HydrophobicContact CD2-CG2 4.42Å; Y471-V483 HydrophobicContact CE1-CB 3.88Å; Y471-V483 HydrophobicContact CE1-CG2 3.76Å; Y471-V483 HydrophobicContact CE2-CG2 4.11Å; Y471-V483 HydrophobicContact CG-CG2 4.4Å; V483-Q485 HydrophobicContact CG2-CG 4.45Å |
| 484 | R | 97.8 | Very high | 95.2 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 29% | 0.291 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.9 | 168.1 | -63.9 | -70.7 | 166 | 170.2 | -5 | 108.8 | I381 Q469 A470 Y486 | I381-R484 HydrophobicContact CD1-CG 4.12Å; Q469-R484 CarbonylContact C-O 3.58Å; Q469-R484 VanDerWaalsContact CA-O 3.31Å; Q469-R484 WeakPolarHBondContact CA-O 3.43Å; A470-R484 PolarHBondContact N-O 2.86Å; A470-R484 PolarHBondContact O-N 3.27Å; R484-Y486 HydrophobicContact CB-CE2 3.8Å; R484-Y486 WeakPolarHBondContact CB-OH 3.33Å |
| 485 | Q | 97.4 | Very high | 95.2 | Very high | 115 Ų | 115 | 48.3 Ų | 48.3 | 54% | 0.537 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.2 | -178.6 | -64.1 | -174.9 | -29.2 | 0 | 0 | 109.4 | T467 Q469 V483 | T467-Q485 HydrophobicContact CG2-CB 4.19Å; T467-Q485 HydrophobicContact CG2-CG 4.48Å; Q469-Q485 HydrophobicContact CG-CG 4.21Å; Q469-Q485 VanDerWaalsContact NE2-NE2 3.19Å; V483-Q485 HydrophobicContact CG2-CG 4.45Å |
| 486 | Y | 97.2 | Very high | 95.3 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 151 | 176.7 | -48.7 | -80.7 | 0 | 0 | 0 | 109 | D383 F385 L396 L398 T467 L468 A470 R484 | D383-Y486 HydrophobicContact CB-CE1 4.3Å; D383-Y486 WeakPolarHBondContact CB-OH 3.5Å; D383-Y486 WeakPolarHBondContact OD2-CE1 3.31Å; D383-Y486 PolarHBondContact OD2-OH 3.4Å; D383-Y486 VanDerWaalsContact OD2-OH 3.08Å; F385-Y486 HydrophobicContact CB-CD1 3.64Å; F385-Y486 HydrophobicContact CB-CE1 4.05Å; F385-Y486 HydrophobicContact CB-CG 4.34Å; F385-Y486 HydrophobicContact CD1-CD1 4.36Å; F385-Y486 HydrophobicContact CD1-CG 4.42Å; F385-Y486 HydrophobicContact CD2-CG 4.49Å; F385-Y486 AromaticContact CG-CD1 3.95Å; F385-Y486 HydrophobicContact CG-CD1 3.95Å; F385-Y486 HydrophobicContact CG-CG 4.17Å; L396-Y486 HydrophobicContact CD1-CD1 4.41Å; L396-Y486 HydrophobicContact CD1-CD2 4.2Å; L396-Y486 HydrophobicContact CD1-CE1 3.86Å; L396-Y486 HydrophobicContact CD1-CE2 3.61Å; L396-Y486 VanDerWaalsContact CD1-CZ 3.42Å; L396-Y486 HydrophobicContact CD2-CD2 4.3Å; L396-Y486 HydrophobicContact CD2-CE2 3.94Å; L396-Y486 HydrophobicContact CG-CE2 4.45Å; L398-Y486 WeakPolarHBondContact CD2-OH 3.47Å; T467-Y486 WeakPolarHBondContact CA-O 3.41Å; L468-Y486 HydrophobicContact CD2-CD2 4.22Å; L468-Y486 PolarHBondContact N-O 3.5Å; L468-Y486 PolarHBondContact O-N 2.84Å; A470-Y486 HydrophobicContact CB-CE2 3.93Å; R484-Y486 HydrophobicContact CB-CE2 3.8Å; R484-Y486 WeakPolarHBondContact CB-OH 3.33Å |
| 487 | H | 95.9 | Very high | 95.5 | Very high | 105 Ų | 105 | 44 Ų | 44 | 49% | 0.486 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122 | -177.9 | -63.3 | 86.5 | 0 | 0 | 0 | 109.8 | G466 | G466-H487 WeakPolarHBondContact O-CA 3.42Å |
| 488 | I | 97.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 113.9 | 164.9 | -56.1 | -58.7 | 0 | 0 | 0 | 106.8 | F385 V413 Y465 G466 | F385-I488 HydrophobicContact CE1-CD1 4.02Å; F385-I488 HydrophobicContact CZ-CD1 3.56Å; V413-I488 HydrophobicContact CG2-CB 4.18Å; V413-I488 HydrophobicContact CG2-CG1 3.99Å; Y465-I488 WeakPolarHBondContact CA-O 3.31Å; Y465-I488 VanDerWaalsContact CB-O 3.29Å; Y465-I488 WeakPolarHBondContact CB-O 3.29Å; G466-I488 PolarHBondContact N-O 2.85Å; G466-I488 VanDerWaalsContact N-O 3.09Å; G466-I488 PolarHBondContact O-N 3Å |
| 489 | K | 97.3 | Very high | 95.9 | Very high | 46 Ų | 46 | 45.9 Ų | 45.9 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | trans | -77.8 | 153.5 | -175.7 | -59 | -71.8 | 177.9 | 171.1 | 0 | 110.6 | L491 S492 V525 F526 P529 | K489-L491 VanDerWaalsContact C-N 3.29Å; K489-L491 PolarHBondContact O-N 2.89Å; K489-S492 WeakPolarHBondContact O-CB 3.39Å; K489-S492 PolarHBondContact O-N 2.8Å; K489-S492 VanDerWaalsContact O-N 3.08Å; K489-V525 PolarHBondContact NZ-O 3.49Å; K489-F526 WeakPolarHBondContact CD-O 3.22Å; K489-P529 HydrophobicContact CB-CG 4.33Å; K489-P529 HydrophobicContact CG-CG 4.31Å | ||
| 490 | P | 97.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -43.7 | 173.4 | -25.5 | 30.9 | 0 | 0 | 0 | 114.1 | G463 Y465 F526 I575 V579 | G463-P490 PolarHBondContact N-O 3.22Å; Y465-P490 HydrophobicContact CD1-CB 3.98Å; Y465-P490 HydrophobicContact CD1-CG 3.74Å; Y465-P490 HydrophobicContact CD2-CG 4.23Å; Y465-P490 HydrophobicContact CE1-CG 4.4Å; Y465-P490 HydrophobicContact CG-CB 4.27Å; Y465-P490 HydrophobicContact CG-CG 3.64Å; P490-F526 WeakPolarHBondContact CD-O 3.47Å; P490-F526 HydrophobicContact CG-CD1 4.27Å; P490-F526 HydrophobicContact CG-CE1 4.03Å; P490-I575 HydrophobicContact CB-CG2 4.04Å; P490-V579 HydrophobicContact CB-CG2 3.94Å; P490-V579 HydrophobicContact CG-CG1 3.97Å; P490-V579 HydrophobicContact CG-CG2 4.09Å |
| 491 | L | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 52.4 | 174 | -64.9 | -175.9 | 0 | 0 | 0 | 110.1 | E462 K489 L493 H494 C527 L528 P529 L554 T572 I575 L576 | E462-L491 HydrophobicContact CG-CD2 4.06Å; E462-L491 WeakPolarHBondContact OE1-CA 3.29Å; E462-L491 WeakPolarHBondContact OE1-CD2 3.25Å; K489-L491 VanDerWaalsContact C-N 3.29Å; K489-L491 PolarHBondContact O-N 2.89Å; L491-L493 PolarHBondContact O-N 3.21Å; L491-L493 VanDerWaalsContact O-N 3.07Å; L491-H494 HydrophobicContact CB-CB 4.43Å; L491-H494 WeakPolarHBondContact O-CB 3.44Å; L491-H494 PolarHBondContact O-N 2.89Å; L491-H494 VanDerWaalsContact O-N 3.11Å; L491-C527 WeakPolarHBondContact CB-O 3.33Å; L491-C527 PolarHBondContact N-O 3.46Å; L491-L528 HydrophobicContact CB-CD2 3.84Å; L491-L528 HydrophobicContact CB-CG 4.49Å; L491-L528 HydrophobicContact CD1-CD2 3.7Å; L491-L528 HydrophobicContact CD1-CG 4.19Å; L491-L528 HydrophobicContact CG-CD2 4.43Å; L491-P529 WeakPolarHBondContact O-CD 3.25Å; L491-L554 HydrophobicContact CD1-CD2 3.7Å; L491-T572 HydrophobicContact CD1-CG2 3.85Å; L491-T572 HydrophobicContact CD2-CG2 4.03Å; L491-I575 HydrophobicContact CD2-CB 4.08Å; L491-I575 HydrophobicContact CD2-CD1 4.13Å; L491-I575 HydrophobicContact CD2-CG2 3.78Å; L491-I575 HydrophobicContact CG-CG2 4.4Å; L491-L576 HydrophobicContact CD1-CD1 4.07Å; L491-L576 HydrophobicContact CD1-CD2 3.65Å; L491-L576 HydrophobicContact CD1-CG 3.76Å; L491-L576 HydrophobicContact CG-CD2 4.44Å |
| 492 | S | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.7 | -173.3 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | L387 Y394 S460 K489 | L387-S492 WeakPolarHBondContact CD2-O 3.27Å; Y394-S492 VanDerWaalsContact OH-CA 3.3Å; Y394-S492 WeakPolarHBondContact OH-CA 3.26Å; Y394-S492 VanDerWaalsContact OH-CB 3.26Å; Y394-S492 WeakPolarHBondContact OH-CB 3.17Å; Y394-S492 PolarHBondContact OH-O 2.78Å; S460-S492 WeakPolarHBondContact OG-CB 3.27Å; S460-S492 PolarHBondContact OG-OG 2.91Å; K489-S492 WeakPolarHBondContact O-CB 3.39Å; K489-S492 PolarHBondContact O-N 2.8Å; K489-S492 VanDerWaalsContact O-N 3.08Å |
| 493 | L | 96.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.8 | -177.8 | -56.3 | 177 | 0 | 0 | 0 | 113.3 | L387 E462 L491 N547 T548 R669 M673 | L387-L493 HydrophobicContact CD1-CD2 4.35Å; E462-L493 HydrophobicContact CB-CD1 4.12Å; L491-L493 PolarHBondContact O-N 3.21Å; L491-L493 VanDerWaalsContact O-N 3.07Å; L493-N547 CarbonylContact O-C 3.53Å; L493-N547 WeakPolarHBondContact O-CA 3.47Å; L493-T548 PolarHBondContact O-N 3.42Å; L493-T548 PolarHBondContact O-OG1 3.13Å; L493-R669 VanDerWaalsContact CD2-NH2 3.27Å; L493-M673 HydrophobicContact CD1-CE 3.99Å |
| 494 | H | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 128 | 177.4 | -75.5 | 74.4 | 0 | 0 | 0 | 111.3 | E462 L491 L528 P529 F545 | E462-H494 IonicContact OE1-CE1 3.92Å; E462-H494 PolarHBondContact OE1-CE1 3.12Å; E462-H494 IonicContact OE1-ND1 3.94Å; E462-H494 PolarHBondContact OE1-ND1 2.98Å; L491-H494 HydrophobicContact CB-CB 4.43Å; L491-H494 WeakPolarHBondContact O-CB 3.44Å; L491-H494 PolarHBondContact O-N 2.89Å; L491-H494 VanDerWaalsContact O-N 3.11Å; H494-L528 HydrophobicContact CB-CD2 3.91Å; H494-P529 VanDerWaalsContact O-CG 3.29Å; H494-P529 WeakPolarHBondContact O-CG 3.37Å; H494-F545 HydrophobicContact CB-CB 4.1Å; H494-F545 HydrophobicContact CB-CD1 4.43Å |
| 495 | Q | 95.3 | Very high | 95.8 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 141.3 | 172.2 | -126.6 | -160.1 | -6.7 | 0 | 0 | 109.8 | R170 L387 F545 Q546 T548 | R170-Q495 VanDerWaalsContact NH2-NE2 3.16Å; L387-Q495 HydrophobicContact CD2-CG 4.47Å; Q495-F545 CarbonylContact O-C 3.42Å; Q495-F545 WeakPolarHBondContact O-CA 3.42Å; Q495-Q546 PolarHBondContact N-O 3.42Å; Q495-Q546 PolarHBondContact O-N 3.04Å; Q495-T548 HydrophobicContact CB-CG2 3.93Å; Q495-T548 HydrophobicContact CG-CG2 4.3Å |
| 496 | R | 94.6 | Very high | 95.7 | Very high | 38 Ų | 38 | 43.1 Ų | 43.1 | 14% | 0.143 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 144 | 176.6 | -173.2 | 170.7 | 169.7 | -168.3 | -10.4 | 110.8 | D145 D169 R170 E530 Y544 F545 | D145-R496 IonicContact OD2-CZ 3.76Å; D145-R496 IonicContact OD2-NH1 2.83Å; D145-R496 PolarHBondContact OD2-NH1 2.85Å; D169-R496 VanDerWaalsContact CB-CZ 3.48Å; D169-R496 IonicContact OD2-NH2 3.78Å; D169-R496 PolarHBondContact OD2-NH2 2.95Å; R170-R496 PolarHBondContact NH1-O 2.84Å; R170-R496 PolarHBondContact NH2-O 3.18Å; R496-E530 HydrophobicContact CB-CB 4.04Å; R496-E530 WeakPolarHBondContact CB-OE2 3.3Å; R496-E530 WeakPolarHBondContact CD-O 2.95Å; R496-E530 PolarHBondContact N-OE2 2.91Å; R496-Y544 CarbonylContact C-O 3.57Å; R496-Y544 WeakPolarHBondContact CA-O 3.08Å; R496-F545 HydrophobicContact CB-CD1 4.1Å; R496-F545 HydrophobicContact CB-CE1 3.98Å; R496-F545 HydrophobicContact CG-CE1 4.38Å |
| 497 | T | 94.4 | Very high | 95.8 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 171.9 | 175.2 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | F499 Y544 Q546 | T497-F499 PolarHBondContact OG1-O 3.12Å; T497-Y544 PolarHBondContact N-O 3.14Å; T497-Q546 HydrophobicContact CG2-CB 3.76Å |
| 498 | H | 92.7 | Very high | 95.9 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 26% | 0.255 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -91.2 | -26.3 | -179.6 | -57.8 | -63.3 | 0 | 0 | 0 | 113.4 | D169 R170 E185 Y544 | D169-H498 PolarHBondContact O-CE1 3.41Å; R170-H498 PolarHBondContact O-CE1 2.82Å; R170-H498 PolarHBondContact O-NE2 3.33Å; E185-H498 HydrophobicContact CG-CB 4.3Å; E185-H498 WeakPolarHBondContact OE1-CB 3.4Å; E185-H498 IonicContact OE1-CG 3.44Å; E185-H498 IonicContact OE2-CD2 2.9Å; E185-H498 IonicContact OE2-CG 2.8Å; H498-Y544 WeakPolarHBondContact O-CD2 3.44Å; H498-Y544 WeakPolarHBondContact O-CE2 3.24Å |
| 499 | F | 93.4 | Very high | 95.9 | Very high | 145 Ų | 145 | 38.3 Ų | 38.3 | 64% | 0.636 | 19% | 0.186 | S | C | * | . | trans | -147.4 | 167 | -179.4 | 62.1 | -90.8 | 0 | 0 | 0 | 111.2 | T497 | T497-F499 PolarHBondContact OG1-O 3.12Š| ||
| 500 | I | 95.4 | Very high | 96 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.062 | 19% | 0.185 | C | C | . | . | trans | -135.2 | 169.1 | 174.2 | 58.2 | 171 | 0 | 0 | 0 | 109.9 | M506 Y544 Q553 E555 | I500-M506 HydrophobicContact CD1-CE 4.3Å; I500-Y544 HydrophobicContact CB-CD1 4.45Å; I500-Y544 HydrophobicContact CD1-CD1 3.83Å; I500-Y544 HydrophobicContact CD1-CE1 3.97Å; I500-Y544 HydrophobicContact CG1-CD1 3.81Å; I500-Y544 HydrophobicContact CG1-CE1 3.97Å; I500-Y544 HydrophobicContact CG2-CD1 3.89Å; I500-Y544 HydrophobicContact CG2-CG 4.11Å; I500-Q553 HydrophobicContact CB-CB 4.42Å; I500-Q553 HydrophobicContact CG2-CB 4.07Å; I500-Q553 HydrophobicContact CG2-CG 4.29Å; I500-E555 HydrophobicContact CD1-CB 3.65Å; I500-E555 HydrophobicContact CD1-CG 4.15Å | ||
| 501 | D | 95.2 | Very high | 95.9 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 35% | 0.353 | 18% | 0.184 | S | C | . | . | trans | -96 | 108 | 174.1 | 177.2 | 5.9 | 0 | 0 | 0 | 109.3 | D503 R504 M506 Q553 | D501-D503 VanDerWaalsContact C-N 3.26Å; D501-D503 PolarHBondContact O-N 2.87Å; D501-D503 WeakPolarHBondContact OD1-CB 3.38Å; D501-D503 PolarHBondContact OD1-N 3.49Å; D501-R504 HydrophobicContact CB-CG 4.02Å; D501-R504 IonicContact OD2-NE 2.67Å; D501-M506 VanDerWaalsContact O-CE 3.23Å; D501-M506 WeakPolarHBondContact O-CE 3.49Å; D501-Q553 PolarHBondContact O-OE1 3.31Å | ||
| 502 | H | 92.7 | Very high | 95.9 | Very high | 111 Ų | 111 | 39.8 Ų | 39.8 | 51% | 0.514 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -10.6 | -178.1 | -65.2 | -71.8 | 0 | 0 | 0 | 113.6 | R504 E555 | H502-R504 VanDerWaalsContact C-N 3.25Å; H502-R504 PolarHBondContact O-N 3.18Å; H502-E555 IonicContact CE1-OE1 2.73Å |
| 503 | D | 95.1 | Very high | 95.9 | Very high | 158 Ų | 158 | 40.9 Ų | 40.9 | 85% | 0.845 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8 | 179 | -65.4 | -28.6 | 0 | 0 | 0 | 112.2 | D501 | D501-D503 VanDerWaalsContact C-N 3.26Å; D501-D503 PolarHBondContact O-N 2.87Å; D501-D503 WeakPolarHBondContact OD1-CB 3.38Å; D501-D503 PolarHBondContact OD1-N 3.49Å |
| 504 | R | 95.7 | Very high | 95.7 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -69.2 | 152.3 | 176.1 | -62.8 | -169.8 | 178.2 | -162.1 | 1.4 | 112.1 | D501 H502 M506 D551 D568 | D501-R504 HydrophobicContact CB-CG 4.02Å; D501-R504 IonicContact OD2-NE 2.67Å; H502-R504 VanDerWaalsContact C-N 3.25Å; H502-R504 PolarHBondContact O-N 3.18Å; R504-M506 HydrophobicContact CB-CE 4.03Å; R504-M506 PolarHBondContact O-N 2.68Å; R504-D551 PolarHBondContact NH1-O 3.22Å; R504-D568 HydrophobicContact CB-CB 4.21Å; R504-D568 WeakPolarHBondContact CD-OD2 3.45Å; R504-D568 IonicContact CZ-OD2 2.96Å; R504-D568 IonicContact NE-OD2 2.99Å; R504-D568 IonicContact NH1-OD2 2.67Å; R504-D568 PolarHBondContact NH1-OD2 2.99Å |
| 505 | P | 96.4 | Very high | 95.7 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | trans | -71.1 | 87.6 | 177.9 | 29.9 | -35.7 | 0 | 0 | 0 | 111.4 | N598 V600 S601 H604 | P505-N598 HydrophobicContact CB-CB 4.41Å; P505-N598 WeakPolarHBondContact CB-ND2 3.34Å; P505-V600 HydrophobicContact CB-CB 4.42Å; P505-S601 VanDerWaalsContact O-CB 3.26Å; P505-S601 WeakPolarHBondContact O-CB 3.37Å; P505-H604 HydrophobicContact CG-CB 3.66Å | ||
| 506 | M | 96.3 | Very high | 95.7 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 15% | 0.153 | 26% | 0.261 | C | S | . | . | trans | -78.5 | 132.3 | -177.8 | -64.1 | -61.6 | -179.7 | 0 | 0 | 112.4 | I500 D501 R504 K566 D568 | I500-M506 HydrophobicContact CD1-CE 4.3Å; D501-M506 VanDerWaalsContact O-CE 3.23Å; D501-M506 WeakPolarHBondContact O-CE 3.49Å; R504-M506 HydrophobicContact CB-CE 4.03Å; R504-M506 PolarHBondContact O-N 2.68Å; M506-K566 HydrophobicContact CB-CB 4.28Å; M506-D568 HydrophobicContact SD-CB 4.23Å; M506-D568 PolarHBondContact SD-N 3.29Å; M506-D568 VanDerWaalsContact SD-N 3.44Å | ||
| 507 | N | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 138.2 | 162.2 | -55.2 | -73 | 0 | 0 | 0 | 108.7 | K566 S567 I573 E596 I597 N598 S601 | N507-K566 CarbonylContact O-C 3.59Å; N507-K566 WeakPolarHBondContact O-CA 3.28Å; N507-S567 WeakPolarHBondContact CB-O 3.45Å; N507-S567 PolarHBondContact N-O 2.96Å; N507-S567 PolarHBondContact ND2-O 3.02Å; N507-S567 VanDerWaalsContact ND2-O 3.08Å; N507-S567 PolarHBondContact O-N 2.93Å; N507-I573 HydrophobicContact CB-CG1 3.99Å; N507-E596 CarbonylContact C-O 3.42Å; N507-E596 WeakPolarHBondContact CA-O 3.24Å; N507-I597 HydrophobicContact CB-CD1 4.13Å; N507-I597 WeakPolarHBondContact OD1-CA 3.2Å; N507-I597 WeakPolarHBondContact OD1-CG2 3.36Å; N507-N598 PolarHBondContact OD1-N 2.96Å; N507-S601 VanDerWaalsContact ND2-CB 3.32Å; N507-S601 WeakPolarHBondContact ND2-CB 3.46Å; N507-S601 PolarHBondContact ND2-OG 3.37Å; N507-S601 PolarHBondContact OD1-OG 3.36Å |
| 508 | T | 98 | Very high | 95.7 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 15% | 0.153 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132 | -176.4 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | V564 F565 K566 Y595 E596 | T508-V564 HydrophobicContact CG2-CG1 3.87Å; T508-F565 CarbonylContact C-O 3.58Å; T508-F565 WeakPolarHBondContact CA-O 3.2Å; T508-K566 HydrophobicContact CG2-CG 4.17Å; T508-Y595 CarbonylContact O-C 3.52Å; T508-Y595 WeakPolarHBondContact O-CA 3.27Å; T508-E596 PolarHBondContact N-O 3.26Å; T508-E596 PolarHBondContact O-N 3.42Å |
| 509 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.3 | 169.4 | 176.8 | 70.9 | 0 | 0 | 0 | 108.9 | V564 F565 I573 L576 K577 I593 | L509-V564 WeakPolarHBondContact O-CA 3.29Å; L509-F565 HydrophobicContact CB-CB 4.32Å; L509-F565 HydrophobicContact CD2-CD2 4.4Å; L509-F565 PolarHBondContact N-O 3.46Å; L509-F565 PolarHBondContact O-N 2.92Å; L509-I573 HydrophobicContact CB-CD1 4.21Å; L509-I573 HydrophobicContact CB-CG2 3.75Å; L509-I573 HydrophobicContact CD1-CG2 4.47Å; L509-I573 HydrophobicContact CD2-CG2 4.4Å; L509-I573 HydrophobicContact CG-CG2 4.43Å; L509-L576 HydrophobicContact CD2-CB 3.92Å; L509-K577 HydrophobicContact CD1-CB 4.16Å; L509-K577 HydrophobicContact CD1-CG 4.42Å; L509-K577 HydrophobicContact CD2-CB 4.12Å; L509-I593 HydrophobicContact CD1-CG2 3.59Å |
| 510 | T | 98.3 | Very high | 96 | Very high | 31 Ų | 31 | 44.7 Ų | 44.7 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.5 | 178.9 | -58.1 | 0 | 0 | 0 | 0 | 110.1 | T512 G563 V564 S594 | T510-T512 HydrophobicContact CG2-CG2 4.25Å; T510-G563 CarbonylContact C-O 3.49Å; T510-G563 WeakPolarHBondContact CA-O 3.41Å; T510-V564 HydrophobicContact CG2-CG2 4.24Å; T510-S594 WeakPolarHBondContact CB-OG 3.25Å; T510-S594 PolarHBondContact N-O 3.1Å; T510-S594 PolarHBondContact O-N 2.97Å; T510-S594 PolarHBondContact O-OG 3.49Å |
| 511 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.3 | 174.9 | -57.2 | 179.4 | 0 | 0 | 0 | 109.1 | E562 G563 F565 L580 L591 I593 | L511-E562 CarbonylContact O-C 3.58Å; L511-E562 WeakPolarHBondContact O-CA 3.29Å; L511-G563 PolarHBondContact N-O 3.38Å; L511-G563 PolarHBondContact O-N 2.85Å; L511-F565 HydrophobicContact CD1-CE2 3.82Å; L511-F565 HydrophobicContact CG-CE2 4.34Å; L511-L580 HydrophobicContact CD1-CB 3.89Å; L511-L580 HydrophobicContact CD1-CD1 3.49Å; L511-L580 VanDerWaalsContact CD1-CD1 3.49Å; L511-L580 HydrophobicContact CD1-CG 4.23Å; L511-L591 HydrophobicContact CD2-CD1 4.45Å; L511-I593 HydrophobicContact CD2-CB 4.06Å; L511-I593 HydrophobicContact CD2-CD1 3.82Å; L511-I593 HydrophobicContact CD2-CG1 3.54Å; L511-I593 HydrophobicContact CD2-CG2 3.79Å |
| 512 | T | 97.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.9 | 172.4 | 53 | 0 | 0 | 0 | 0 | 110 | T510 G561 E562 N592 | T510-T512 HydrophobicContact CG2-CG2 4.25Å; T512-G561 WeakPolarHBondContact CA-O 3.44Å; T512-E562 HydrophobicContact CG2-CG 4.45Å; T512-N592 PolarHBondContact N-O 2.8Å; T512-N592 PolarHBondContact O-N 3.24Å; T512-N592 WeakPolarHBondContact OG1-CB 3.36Å; T512-N592 PolarHBondContact OG1-O 3.31Å |
| 513 | G | 95 | Very high | 96.3 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 24% | 0.237 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | -176.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F515 G561 | G513-F515 PolarHBondContact O-N 2.74Å; G513-G561 PolarHBondContact N-O 2.97Å; G513-G561 VanDerWaalsContact N-O 3.11Å; G513-G561 VanDerWaalsContact O-CA 3.23Å; G513-G561 WeakPolarHBondContact O-CA 3.36Å |
| 514 | Q | 94.4 | Very high | 96.4 | Very high | 179 Ų | 179 | 30.1 Ų | 30.1 | 84% | 0.836 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -91 | 73.3 | 178.8 | -64 | -65.2 | -20.6 | 0 | 0 | 110.2 | ||
| 515 | F | 95.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | trans | -128.4 | 146.4 | 173.6 | 55.6 | -97.2 | 0 | 0 | 0 | 111.4 | G513 E519 V520 W523 G561 E562 I589 L591 | G513-F515 PolarHBondContact O-N 2.74Å; F515-E519 HydrophobicContact CB-CB 4.33Å; F515-V520 HydrophobicContact CD2-CB 3.64Å; F515-V520 HydrophobicContact CD2-CG1 3.94Å; F515-V520 HydrophobicContact CD2-CG2 4.47Å; F515-V520 HydrophobicContact CE2-CB 3.6Å; F515-V520 HydrophobicContact CE2-CG1 3.85Å; F515-V520 HydrophobicContact CE2-CG2 3.99Å; F515-W523 HydrophobicContact CB-CH2 3.87Å; F515-W523 HydrophobicContact CB-CZ3 4.34Å; F515-W523 HydrophobicContact CD1-CH2 4.09Å; F515-W523 HydrophobicContact CD1-CZ3 4.02Å; F515-W523 HydrophobicContact CD2-CZ3 4.47Å; F515-W523 HydrophobicContact CE1-CZ3 4.43Å; F515-W523 HydrophobicContact CG-CH2 4.03Å; F515-W523 HydrophobicContact CG-CZ3 4.03Å; F515-G561 PolarHBondContact O-N 2.8Å; F515-E562 VanDerWaalsContact CZ-N 3.28Å; F515-I589 HydrophobicContact CB-CD1 4.26Å; F515-I589 HydrophobicContact CB-CG2 4.37Å; F515-L591 HydrophobicContact CD1-CD2 3.53Å; F515-L591 HydrophobicContact CE1-CD2 3.56Å | ||
| 516 | S | 95.1 | Very high | 96.5 | Very high | 43 Ų | 43 | 30.8 Ų | 30.8 | 30% | 0.301 | 18% | 0.176 | S | C | . | . | trans | -75 | 161.3 | 172.9 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | A518 E519 V520 | S516-A518 VanDerWaalsContact C-N 3.28Å; S516-A518 PolarHBondContact O-N 3.35Å; S516-E519 WeakPolarHBondContact CB-OE2 3.44Å; S516-E519 PolarHBondContact N-OE2 3.44Å; S516-E519 PolarHBondContact O-N 3.38Å; S516-E519 WeakPolarHBondContact OG-CB 3.32Å; S516-E519 VanDerWaalsContact OG-CD 3.28Å; S516-E519 VanDerWaalsContact OG-CG 3.22Å; S516-E519 WeakPolarHBondContact OG-CG 3.49Å; S516-E519 PolarHBondContact OG-N 3.17Å; S516-E519 PolarHBondContact OG-OE2 3.45Å; S516-V520 PolarHBondContact O-N 3.3Å | ||
| 517 | F | 95.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 29.3 Ų | 29.3 | 13% | 0.127 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | 174 | 176.8 | -110.1 | 0 | 0 | 0 | 112.3 | E519 V520 H521 P535 P536 V541 Y558 | F517-E519 VanDerWaalsContact C-N 3.34Å; F517-E519 PolarHBondContact O-N 3.21Å; F517-V520 VanDerWaalsContact O-CG1 3.25Å; F517-V520 WeakPolarHBondContact O-CG1 3.33Å; F517-H521 VanDerWaalsContact O-CB 3.23Å; F517-H521 WeakPolarHBondContact O-CB 3.38Å; F517-H521 PolarHBondContact O-N 2.95Å; F517-P535 HydrophobicContact CD1-CB 4.32Å; F517-P535 HydrophobicContact CE1-CB 3.9Å; F517-P536 WeakPolarHBondContact CE1-O 3.48Å; F517-V541 HydrophobicContact CE2-CB 4.35Å; F517-V541 HydrophobicContact CE2-CG2 4.03Å; F517-V541 HydrophobicContact CZ-CB 4.31Å; F517-V541 HydrophobicContact CZ-CG2 3.58Å; F517-Y558 HydrophobicContact CD2-CD2 4.23Å; F517-Y558 HydrophobicContact CD2-CE2 4.38Å; F517-Y558 AromaticContact CE2-CD2 3.82Å; F517-Y558 HydrophobicContact CE2-CD2 3.82Å; F517-Y558 AromaticContact CE2-CE2 3.65Å; F517-Y558 HydrophobicContact CE2-CE2 3.65Å; F517-Y558 HydrophobicContact CZ-CE2 4.2Å |
| 518 | A | 94.6 | Very high | 96.6 | Very high | 52 Ų | 52 | 29.5 Ų | 29.5 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.7 | -34.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S516 S522 P535 | S516-A518 VanDerWaalsContact C-N 3.28Å; S516-A518 PolarHBondContact O-N 3.35Å; A518-S522 WeakPolarHBondContact O-CB 3.38Å; A518-S522 PolarHBondContact O-N 3.14Å; A518-P535 HydrophobicContact CB-CG 4.29Å |
| 519 | E | 95.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 29 Ų | 29 | 23% | 0.234 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.8 | -52.2 | 177.6 | -76.6 | 165 | 139.5 | 0 | 0 | 111.8 | F515 S516 F517 H521 S522 W523 | F515-E519 HydrophobicContact CB-CB 4.33Å; S516-E519 WeakPolarHBondContact CB-OE2 3.44Å; S516-E519 PolarHBondContact N-OE2 3.44Å; S516-E519 PolarHBondContact O-N 3.38Å; S516-E519 WeakPolarHBondContact OG-CB 3.32Å; S516-E519 VanDerWaalsContact OG-CD 3.28Å; S516-E519 VanDerWaalsContact OG-CG 3.22Å; S516-E519 WeakPolarHBondContact OG-CG 3.49Å; S516-E519 PolarHBondContact OG-N 3.17Å; S516-E519 PolarHBondContact OG-OE2 3.45Å; F517-E519 VanDerWaalsContact C-N 3.34Å; F517-E519 PolarHBondContact O-N 3.21Å; E519-H521 VanDerWaalsContact C-N 3.28Å; E519-H521 PolarHBondContact O-N 3.38Å; E519-S522 PolarHBondContact O-N 2.81Å; E519-S522 VanDerWaalsContact O-N 3.11Å; E519-S522 PolarHBondContact O-OG 2.91Å; E519-W523 HydrophobicContact CB-CZ2 4.48Å; E519-W523 VanDerWaalsContact O-CG 3.3Å; E519-W523 PolarHBondContact O-N 3.24Å |
| 520 | V | 96.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 177.1 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | F515 S516 F517 S522 W523 V524 Y558 | F515-V520 HydrophobicContact CD2-CB 3.64Å; F515-V520 HydrophobicContact CD2-CG1 3.94Å; F515-V520 HydrophobicContact CD2-CG2 4.47Å; F515-V520 HydrophobicContact CE2-CB 3.6Å; F515-V520 HydrophobicContact CE2-CG1 3.85Å; F515-V520 HydrophobicContact CE2-CG2 3.99Å; S516-V520 PolarHBondContact O-N 3.3Å; F517-V520 VanDerWaalsContact O-CG1 3.25Å; F517-V520 WeakPolarHBondContact O-CG1 3.33Å; V520-S522 VanDerWaalsContact C-N 3.34Å; V520-S522 PolarHBondContact O-N 2.94Å; V520-W523 HydrophobicContact CB-CE3 4.21Å; V520-W523 HydrophobicContact CG2-CE3 4.27Å; V520-W523 WeakPolarHBondContact O-CB 3.44Å; V520-W523 PolarHBondContact O-N 2.95Å; V520-W523 VanDerWaalsContact O-N 3.15Å; V520-V524 WeakPolarHBondContact O-CG2 3.39Å; V520-V524 PolarHBondContact O-N 3.21Å; V520-Y558 HydrophobicContact CG1-CD2 3.74Å; V520-Y558 HydrophobicContact CG1-CG 4.41Å; V520-Y558 HydrophobicContact CG2-CD2 4.26Å; V520-Y558 HydrophobicContact CG2-CG 4.2Å |
| 521 | H | 96.9 | Very high | 96 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 174.3 | -178 | 72.6 | 0 | 0 | 0 | 111.6 | F517 E519 W523 V524 V525 P532 P536 Y558 | F517-H521 VanDerWaalsContact O-CB 3.23Å; F517-H521 WeakPolarHBondContact O-CB 3.38Å; F517-H521 PolarHBondContact O-N 2.95Å; E519-H521 VanDerWaalsContact C-N 3.28Å; E519-H521 PolarHBondContact O-N 3.38Å; H521-W523 VanDerWaalsContact C-N 3.26Å; H521-W523 PolarHBondContact O-N 3.44Å; H521-V524 PolarHBondContact O-N 3.39Å; H521-V524 VanDerWaalsContact O-N 3.13Å; H521-V525 WeakPolarHBondContact O-CG2 3.36Å; H521-V525 PolarHBondContact O-N 3.07Å; H521-P532 PolarHBondContact CE1-O 3.45Å; H521-P532 PolarHBondContact NE2-O 3.17Å; H521-P536 VanDerWaalsContact CE1-CD 3.44Å; H521-P536 WeakPolarHBondContact CE1-CD 3.44Å; H521-Y558 HydrophobicContact CB-CE2 4.02Å; H521-Y558 AromaticContact ND1-CE2 3.97Å; H521-Y558 AromaticContact ND1-CZ 3.84Å; H521-Y558 PolarHBondContact ND1-OH 3.05Å |
| 522 | S | 96.5 | Very high | 95.8 | Very high | 37 Ų | 37 | 32 Ų | 32 | 26% | 0.259 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.3 | -33.1 | 176.4 | 76.2 | 0 | 0 | 0 | 0 | 113.1 | A518 E519 V520 F526 R587 | A518-S522 WeakPolarHBondContact O-CB 3.38Å; A518-S522 PolarHBondContact O-N 3.14Å; E519-S522 PolarHBondContact O-N 2.81Å; E519-S522 VanDerWaalsContact O-N 3.11Å; E519-S522 PolarHBondContact O-OG 2.91Å; V520-S522 VanDerWaalsContact C-N 3.34Å; V520-S522 PolarHBondContact O-N 2.94Å; S522-F526 WeakPolarHBondContact O-CB 3.32Å; S522-F526 PolarHBondContact O-N 3.21Å; S522-R587 PolarHBondContact OG-NH2 2.86Å |
| 523 | W | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.6 | -41.5 | 173.6 | -55.1 | -23.9 | 0 | 0 | 0 | 111.6 | F515 E519 V520 H521 F526 C527 L580 E583 A584 I589 L591 | F515-W523 HydrophobicContact CB-CH2 3.87Å; F515-W523 HydrophobicContact CB-CZ3 4.34Å; F515-W523 HydrophobicContact CD1-CH2 4.09Å; F515-W523 HydrophobicContact CD1-CZ3 4.02Å; F515-W523 HydrophobicContact CD2-CZ3 4.47Å; F515-W523 HydrophobicContact CE1-CZ3 4.43Å; F515-W523 HydrophobicContact CG-CH2 4.03Å; F515-W523 HydrophobicContact CG-CZ3 4.03Å; E519-W523 HydrophobicContact CB-CZ2 4.48Å; E519-W523 VanDerWaalsContact O-CG 3.3Å; E519-W523 PolarHBondContact O-N 3.24Å; V520-W523 HydrophobicContact CB-CE3 4.21Å; V520-W523 HydrophobicContact CG2-CE3 4.27Å; V520-W523 WeakPolarHBondContact O-CB 3.44Å; V520-W523 PolarHBondContact O-N 2.95Å; V520-W523 VanDerWaalsContact O-N 3.15Å; H521-W523 VanDerWaalsContact C-N 3.26Å; H521-W523 PolarHBondContact O-N 3.44Å; W523-F526 WeakPolarHBondContact O-CB 3.28Å; W523-F526 PolarHBondContact O-N 2.84Å; W523-F526 VanDerWaalsContact O-N 3.16Å; W523-C527 WeakPolarHBondContact O-CB 3.49Å; W523-C527 PolarHBondContact O-N 2.99Å; W523-C527 PolarHBondContact O-SG 3.2Å; W523-L580 HydrophobicContact CB-CD2 3.61Å; W523-L580 HydrophobicContact CG-CD2 4.46Å; W523-E583 HydrophobicContact CG-CB 4.13Å; W523-A584 HydrophobicContact CH2-CB 4.05Å; W523-A584 HydrophobicContact CZ2-CB 4.17Å; W523-I589 HydrophobicContact CH2-CD1 4.04Å; W523-I589 HydrophobicContact CH2-CG2 4.24Å; W523-I589 HydrophobicContact CZ2-CD1 3.68Å; W523-L591 HydrophobicContact CH2-CD2 4.21Å; W523-L591 HydrophobicContact CZ3-CD1 4.3Å; W523-L591 HydrophobicContact CZ3-CD2 4.19Å |
| 524 | V | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V520 H521 F526 C527 L528 V531 Y558 F565 | V520-V524 WeakPolarHBondContact O-CG2 3.39Å; V520-V524 PolarHBondContact O-N 3.21Å; H521-V524 PolarHBondContact O-N 3.39Å; H521-V524 VanDerWaalsContact O-N 3.13Å; V524-F526 PolarHBondContact O-N 3.32Å; V524-C527 PolarHBondContact O-N 2.93Å; V524-C527 VanDerWaalsContact O-N 3.1Å; V524-L528 HydrophobicContact CG1-CD1 4Å; V524-L528 PolarHBondContact O-N 2.88Å; V524-V531 HydrophobicContact CG1-CG1 4.37Å; V524-V531 HydrophobicContact CG1-CG2 4.22Å; V524-Y558 HydrophobicContact CB-CE1 4.32Å; V524-Y558 HydrophobicContact CG1-CE1 4.01Å; V524-Y558 HydrophobicContact CG2-CD1 3.98Å; V524-Y558 HydrophobicContact CG2-CE1 3.87Å; V524-Y558 HydrophobicContact CG2-CG 4.5Å; V524-F565 HydrophobicContact CG2-CE1 4.05Å; V524-F565 HydrophobicContact CG2-CZ 4.12Å |
| 525 | V | 97.1 | Very high | 95 | Very high | 24 Ų | 24 | 34.2 Ų | 34.2 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -33.8 | 173.4 | 171.6 | 0 | 0 | 0 | 0 | 112 | K489 H521 V531 P532 E533 | K489-V525 PolarHBondContact NZ-O 3.49Å; H521-V525 WeakPolarHBondContact O-CG2 3.36Å; H521-V525 PolarHBondContact O-N 3.07Å; V525-V531 HydrophobicContact CG2-CB 4.06Å; V525-V531 HydrophobicContact CG2-CG1 3.54Å; V525-P532 WeakPolarHBondContact CG2-O 3.5Å; V525-E533 HydrophobicContact CG1-CG 4.45Å |
| 526 | F | 97.2 | Very high | 94.6 | Very high | 62 Ų | 62 | 35 Ų | 35 | 27% | 0.272 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -70.3 | -40.7 | 174.4 | -177.6 | -94 | 0 | 0 | 0 | 111.8 | Y465 K489 P490 S522 W523 V524 V579 E583 | Y465-F526 AromaticContact CD2-CE1 3.89Å; Y465-F526 HydrophobicContact CD2-CE1 3.89Å; Y465-F526 AromaticContact CD2-CZ 3.66Å; Y465-F526 HydrophobicContact CD2-CZ 3.66Å; Y465-F526 AromaticContact CE2-CE1 3.77Å; Y465-F526 HydrophobicContact CE2-CE1 3.77Å; Y465-F526 AromaticContact CE2-CZ 3.64Å; Y465-F526 HydrophobicContact CE2-CZ 3.64Å; K489-F526 WeakPolarHBondContact CD-O 3.22Å; P490-F526 WeakPolarHBondContact CD-O 3.47Å; P490-F526 HydrophobicContact CG-CD1 4.27Å; P490-F526 HydrophobicContact CG-CE1 4.03Å; S522-F526 WeakPolarHBondContact O-CB 3.32Å; S522-F526 PolarHBondContact O-N 3.21Å; W523-F526 WeakPolarHBondContact O-CB 3.28Å; W523-F526 PolarHBondContact O-N 2.84Å; W523-F526 VanDerWaalsContact O-N 3.16Å; V524-F526 PolarHBondContact O-N 3.32Å; F526-V579 HydrophobicContact CD1-CG1 3.97Å; F526-V579 HydrophobicContact CE1-CG1 3.87Å; F526-E583 HydrophobicContact CD1-CG 4.2Å |
| 527 | C | 97.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -77.9 | -37.1 | -175.6 | -71.8 | 0 | 0 | 0 | 0 | 114.5 | L491 W523 V524 L576 V579 | L491-C527 WeakPolarHBondContact CB-O 3.33Å; L491-C527 PolarHBondContact N-O 3.46Å; W523-C527 WeakPolarHBondContact O-CB 3.49Å; W523-C527 PolarHBondContact O-N 2.99Å; W523-C527 PolarHBondContact O-SG 3.2Å; V524-C527 PolarHBondContact O-N 2.93Å; V524-C527 VanDerWaalsContact O-N 3.1Å; C527-L576 HydrophobicContact CB-CD2 4.09Å; C527-V579 VanDerWaalsContact SG-CG1 3.53Å |
| 528 | L | 96.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -119.5 | 142 | -165.2 | -76.7 | 155.1 | 0 | 0 | 0 | 112.6 | L491 H494 V524 V531 F545 L554 | L491-L528 HydrophobicContact CB-CD2 3.84Å; L491-L528 HydrophobicContact CB-CG 4.49Å; L491-L528 HydrophobicContact CD1-CD2 3.7Å; L491-L528 HydrophobicContact CD1-CG 4.19Å; L491-L528 HydrophobicContact CG-CD2 4.43Å; H494-L528 HydrophobicContact CB-CD2 3.91Å; V524-L528 HydrophobicContact CG1-CD1 4Å; V524-L528 PolarHBondContact O-N 2.88Å; L528-V531 HydrophobicContact CB-CG2 3.94Å; L528-F545 HydrophobicContact CB-CE1 4.21Å; L528-F545 HydrophobicContact CB-CZ 4.06Å; L528-F545 HydrophobicContact CD1-CD2 4.18Å; L528-F545 HydrophobicContact CD1-CE2 3.65Å; L528-F545 HydrophobicContact CD1-CZ 3.93Å; L528-F545 HydrophobicContact CD2-CD1 4.11Å; L528-F545 HydrophobicContact CD2-CD2 4.12Å; L528-F545 HydrophobicContact CD2-CE1 4.22Å; L528-F545 HydrophobicContact CD2-CE2 4.21Å; L528-F545 HydrophobicContact CD2-CG 4.08Å; L528-F545 HydrophobicContact CD2-CZ 4.27Å; L528-F545 HydrophobicContact CG-CE2 4.36Å; L528-F545 HydrophobicContact CG-CZ 4.31Å; L528-L554 HydrophobicContact CD1-CD2 4.15Å; L528-L554 HydrophobicContact CD2-CD2 3.77Å |
| 529 | P | 94.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 162.7 | 166.7 | -19.9 | 33.9 | 0 | 0 | 0 | 112.3 | K489 L491 H494 V531 F545 | K489-P529 HydrophobicContact CB-CG 4.33Å; K489-P529 HydrophobicContact CG-CG 4.31Å; L491-P529 WeakPolarHBondContact O-CD 3.25Å; H494-P529 VanDerWaalsContact O-CG 3.29Å; H494-P529 WeakPolarHBondContact O-CG 3.37Å; P529-V531 PolarHBondContact O-N 2.89Å; P529-V531 VanDerWaalsContact O-N 3.08Å; P529-F545 WeakPolarHBondContact O-CE1 3.47Å |
| 530 | E | 93.4 | Very high | 93 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 27.8 | 168.4 | -56.5 | -177.1 | 170.5 | 0 | 0 | 115.8 | R170 R496 | R170-E530 IonicContact CZ-OE2 3.24Å; R170-E530 IonicContact NE-OE2 3.31Å; R170-E530 IonicContact NH2-OE1 3.92Å; R170-E530 IonicContact NH2-OE2 3.42Å; R170-E530 PolarHBondContact NH2-OE2 3.23Å; R496-E530 HydrophobicContact CB-CB 4.04Å; R496-E530 WeakPolarHBondContact CB-OE2 3.3Å; R496-E530 WeakPolarHBondContact CD-O 2.95Å; R496-E530 PolarHBondContact N-OE2 2.91Å |
| 531 | V | 95.1 | Very high | 93 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | trans | -100.3 | 129.5 | 169 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | V524 V525 L528 P529 F543 F545 | V524-V531 HydrophobicContact CG1-CG1 4.37Å; V524-V531 HydrophobicContact CG1-CG2 4.22Å; V525-V531 HydrophobicContact CG2-CB 4.06Å; V525-V531 HydrophobicContact CG2-CG1 3.54Å; L528-V531 HydrophobicContact CB-CG2 3.94Å; P529-V531 PolarHBondContact O-N 2.89Å; P529-V531 VanDerWaalsContact O-N 3.08Å; V531-F543 HydrophobicContact CG1-CD2 4.28Å; V531-F543 HydrophobicContact CG1-CE2 3.61Å; V531-F543 HydrophobicContact CG1-CZ 4.21Å; V531-F543 HydrophobicContact CG2-CD2 4.45Å; V531-F545 HydrophobicContact CG2-CE1 4.21Å; V531-F545 HydrophobicContact CG2-CZ 3.72Å | ||
| 532 | P | 93.5 | Very high | 92.9 | Very high | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.045 | 28% | 0.28 | C | S | . | . | trans | -61.2 | 139.7 | 176.7 | 25.5 | -34.1 | 0 | 0 | 0 | 110.2 | Y127 H521 V525 K534 P536 F543 | Y127-P532 HydrophobicContact CE1-CB 4.26Å; H521-P532 PolarHBondContact CE1-O 3.45Å; H521-P532 PolarHBondContact NE2-O 3.17Å; V525-P532 WeakPolarHBondContact CG2-O 3.5Å; P532-K534 VanDerWaalsContact C-N 3.25Å; P532-K534 PolarHBondContact O-N 2.88Å; P532-P536 HydrophobicContact CG-CG 4.5Å; P532-F543 HydrophobicContact CG-CZ 4.38Å | ||
| 533 | E | 90.7 | Very high | 93 | Very high | 146 Ų | 146 | 46.8 Ų | 46.8 | 68% | 0.682 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -67.7 | -29.5 | 179.4 | -69 | 175.5 | 179.3 | 0 | 0 | 112.5 | V525 | V525-E533 HydrophobicContact CG1-CG 4.45Š|
| 534 | K | 90.2 | Very high | 93 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -81.4 | 126.2 | 178.2 | -173.4 | 175.1 | 179.3 | 176.3 | 0 | 108.5 | P532 P536 | P532-K534 VanDerWaalsContact C-N 3.25Å; P532-K534 PolarHBondContact O-N 2.88Å; K534-P536 WeakPolarHBondContact O-CD 3.5Å |
| 535 | P | 89.1 | Confident | 93 | Very high | 52 Ų | 52 | 49.5 Ų | 49.5 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 126.4 | 173.3 | -24.2 | 32.3 | 0 | 0 | 0 | 110.6 | F517 A518 | F517-P535 HydrophobicContact CD1-CB 4.32Å; F517-P535 HydrophobicContact CE1-CB 3.9Å; A518-P535 HydrophobicContact CB-CG 4.29Å |
| 536 | P | 87.8 | Confident | 93 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 14% | 0.143 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 153.8 | 175.5 | -25.6 | 34.4 | 0 | 0 | 0 | 111.5 | F517 H521 P532 K534 V541 F543 | F517-P536 WeakPolarHBondContact CE1-O 3.48Å; H521-P536 VanDerWaalsContact CE1-CD 3.44Å; H521-P536 WeakPolarHBondContact CE1-CD 3.44Å; P532-P536 HydrophobicContact CG-CG 4.5Å; K534-P536 WeakPolarHBondContact O-CD 3.5Å; P536-V541 HydrophobicContact CB-CG2 3.74Å; P536-V541 HydrophobicContact CG-CG1 4.38Å; P536-V541 HydrophobicContact CG-CG2 3.85Å; P536-F543 HydrophobicContact CG-CZ 4.19Å |
| 537 | A | 82.6 | Confident | 93 | Very high | 100 Ų | 100 | 47.3 Ų | 47.3 | 83% | 0.826 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -66.8 | 135.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 538 | G | 85.1 | Confident | 92.8 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 56% | 0.557 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 122.3 | -178.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 539 | E | 85.7 | Confident | 92.6 | Very high | 164 Ų | 164 | 48.7 Ų | 48.7 | 77% | 0.766 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -106.3 | -9.7 | 179.5 | -61 | -166 | 154.4 | 0 | 0 | 113.4 | R559 | E539-R559 VanDerWaalsContact O-CA 3.23Å; E539-R559 WeakPolarHBondContact O-CA 3.41Å; E539-R559 WeakPolarHBondContact O-CB 3.48Å |
| 540 | C | 93.5 | Very high | 92.5 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 139.9 | -176.9 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | Y558 R559 | C540-Y558 WeakPolarHBondContact CA-O 3.47Å; C540-R559 HydrophobicContact CB-CB 4.02Å |
| 541 | V | 95.3 | Very high | 92.5 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 145.3 | 177.9 | 169.5 | 0 | 0 | 0 | 0 | 109.7 | F517 P536 F543 I557 Y558 | F517-V541 HydrophobicContact CE2-CB 4.35Å; F517-V541 HydrophobicContact CE2-CG2 4.03Å; F517-V541 HydrophobicContact CZ-CB 4.31Å; F517-V541 HydrophobicContact CZ-CG2 3.58Å; P536-V541 HydrophobicContact CB-CG2 3.74Å; P536-V541 HydrophobicContact CG-CG1 4.38Å; P536-V541 HydrophobicContact CG-CG2 3.85Å; V541-F543 HydrophobicContact CG1-CD1 4.26Å; V541-F543 HydrophobicContact CG1-CD2 3.9Å; V541-F543 HydrophobicContact CG1-CE1 3.93Å; V541-F543 HydrophobicContact CG1-CE2 3.56Å; V541-F543 HydrophobicContact CG1-CG 4.24Å; V541-F543 HydrophobicContact CG1-CZ 3.57Å; V541-I557 WeakPolarHBondContact O-CA 3.46Å; V541-Y558 HydrophobicContact CB-CE1 4.46Å; V541-Y558 HydrophobicContact CB-CE2 4.14Å; V541-Y558 HydrophobicContact CG1-CE1 4.34Å; V541-Y558 PolarHBondContact N-O 2.78Å; V541-Y558 PolarHBondContact O-N 3.31Å |
| 542 | T | 96.2 | Very high | 92.5 | Very high | 58 Ų | 58 | 46.7 Ų | 46.7 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.7 | 171.7 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | Y544 E555 S556 I557 | T542-Y544 HydrophobicContact CG2-CD1 4.37Å; T542-Y544 HydrophobicContact CG2-CE1 3.68Å; T542-Y544 HydrophobicContact CG2-CE2 4.25Å; T542-E555 HydrophobicContact CG2-CG 4.49Å; T542-S556 CarbonylContact C-O 3.59Å; T542-S556 VanDerWaalsContact CA-O 3.29Å; T542-S556 WeakPolarHBondContact CA-O 3.27Å; T542-I557 HydrophobicContact CG2-CG1 3.7Å |
| 543 | F | 96.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.2 | 169.9 | -67.1 | -51.6 | 0 | 0 | 0 | 110.7 | V531 P532 P536 V541 F545 S556 Y558 | V531-F543 HydrophobicContact CG1-CD2 4.28Å; V531-F543 HydrophobicContact CG1-CE2 3.61Å; V531-F543 HydrophobicContact CG1-CZ 4.21Å; V531-F543 HydrophobicContact CG2-CD2 4.45Å; P532-F543 HydrophobicContact CG-CZ 4.38Å; P536-F543 HydrophobicContact CG-CZ 4.19Å; V541-F543 HydrophobicContact CG1-CD1 4.26Å; V541-F543 HydrophobicContact CG1-CD2 3.9Å; V541-F543 HydrophobicContact CG1-CE1 3.93Å; V541-F543 HydrophobicContact CG1-CE2 3.56Å; V541-F543 HydrophobicContact CG1-CG 4.24Å; V541-F543 HydrophobicContact CG1-CZ 3.57Å; F543-F545 HydrophobicContact CB-CD2 4.34Å; F543-F545 HydrophobicContact CB-CE2 3.41Å; F543-F545 VanDerWaalsContact CB-CE2 3.41Å; F543-F545 HydrophobicContact CB-CZ 3.76Å; F543-F545 HydrophobicContact CG-CE2 4.42Å; F543-F545 HydrophobicContact CG-CZ 4.36Å; F543-S556 PolarHBondContact N-O 3.15Å; F543-S556 PolarHBondContact O-N 3.23Å; F543-Y558 HydrophobicContact CD2-CE1 4.06Å; F543-Y558 HydrophobicContact CE2-CE1 4.4Å; F543-Y558 WeakPolarHBondContact CE2-OH 3.19Å |
| 544 | Y | 97.8 | Very high | 93.1 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.9 | 176.5 | -59.4 | -56.7 | 0 | 0 | 0 | 109.7 | R496 T497 H498 I500 T542 L554 E555 | R496-Y544 CarbonylContact C-O 3.57Å; R496-Y544 WeakPolarHBondContact CA-O 3.08Å; T497-Y544 PolarHBondContact N-O 3.14Å; H498-Y544 WeakPolarHBondContact O-CD2 3.44Å; H498-Y544 WeakPolarHBondContact O-CE2 3.24Å; I500-Y544 HydrophobicContact CB-CD1 4.45Å; I500-Y544 HydrophobicContact CD1-CD1 3.83Å; I500-Y544 HydrophobicContact CD1-CE1 3.97Å; I500-Y544 HydrophobicContact CG1-CD1 3.81Å; I500-Y544 HydrophobicContact CG1-CE1 3.97Å; I500-Y544 HydrophobicContact CG2-CD1 3.89Å; I500-Y544 HydrophobicContact CG2-CG 4.11Å; T542-Y544 HydrophobicContact CG2-CD1 4.37Å; T542-Y544 HydrophobicContact CG2-CE1 3.68Å; T542-Y544 HydrophobicContact CG2-CE2 4.25Å; Y544-L554 CarbonylContact C-O 3.51Å; Y544-E555 HydrophobicContact CD1-CB 4.38Å; Y544-E555 HydrophobicContact CD1-CG 4.11Å; Y544-E555 HydrophobicContact CE1-CG 3.81Å |
| 545 | F | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.8 | 178.2 | -56.7 | -92.1 | 0 | 0 | 0 | 111.3 | H494 Q495 R496 L528 P529 V531 F543 Q553 L554 | H494-F545 HydrophobicContact CB-CB 4.1Å; H494-F545 HydrophobicContact CB-CD1 4.43Å; Q495-F545 CarbonylContact O-C 3.42Å; Q495-F545 WeakPolarHBondContact O-CA 3.42Å; R496-F545 HydrophobicContact CB-CD1 4.1Å; R496-F545 HydrophobicContact CB-CE1 3.98Å; R496-F545 HydrophobicContact CG-CE1 4.38Å; L528-F545 HydrophobicContact CB-CE1 4.21Å; L528-F545 HydrophobicContact CB-CZ 4.06Å; L528-F545 HydrophobicContact CD1-CD2 4.18Å; L528-F545 HydrophobicContact CD1-CE2 3.65Å; L528-F545 HydrophobicContact CD1-CZ 3.93Å; L528-F545 HydrophobicContact CD2-CD1 4.11Å; L528-F545 HydrophobicContact CD2-CD2 4.12Å; L528-F545 HydrophobicContact CD2-CE1 4.22Å; L528-F545 HydrophobicContact CD2-CE2 4.21Å; L528-F545 HydrophobicContact CD2-CG 4.08Å; L528-F545 HydrophobicContact CD2-CZ 4.27Å; L528-F545 HydrophobicContact CG-CE2 4.36Å; L528-F545 HydrophobicContact CG-CZ 4.31Å; P529-F545 WeakPolarHBondContact O-CE1 3.47Å; V531-F545 HydrophobicContact CG2-CE1 4.21Å; V531-F545 HydrophobicContact CG2-CZ 3.72Å; F543-F545 HydrophobicContact CB-CD2 4.34Å; F543-F545 HydrophobicContact CB-CE2 3.41Å; F543-F545 VanDerWaalsContact CB-CE2 3.41Å; F543-F545 HydrophobicContact CB-CZ 3.76Å; F543-F545 HydrophobicContact CG-CE2 4.42Å; F543-F545 HydrophobicContact CG-CZ 4.36Å; F545-Q553 WeakPolarHBondContact O-CA 3.31Å; F545-L554 HydrophobicContact CB-CB 4.24Å; F545-L554 HydrophobicContact CD2-CD2 4.26Å; F545-L554 HydrophobicContact CD2-CG 4.44Å; F545-L554 PolarHBondContact N-O 2.6Å; F545-L554 PolarHBondContact O-N 3.09Å |
| 546 | Q | 96.8 | Very high | 93.9 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.9 | 171.2 | -174.9 | 178.9 | 8.8 | 0 | 0 | 109.2 | Q495 T497 T548 D551 T552 | Q495-Q546 PolarHBondContact N-O 3.42Å; Q495-Q546 PolarHBondContact O-N 3.04Å; T497-Q546 HydrophobicContact CG2-CB 3.76Å; Q546-T548 PolarHBondContact O-N 3.46Å; Q546-D551 PolarHBondContact NE2-OD1 3.38Å; Q546-T552 CarbonylContact C-O 3.52Å; Q546-T552 WeakPolarHBondContact CA-O 3.29Å |
| 547 | N | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 125.4 | 171.7 | -172.5 | -76.3 | 0 | 0 | 0 | 109.5 | E462 L493 F549 L550 D551 T552 | E462-N547 PolarHBondContact OE2-ND2 2.79Å; L493-N547 CarbonylContact O-C 3.53Å; L493-N547 WeakPolarHBondContact O-CA 3.47Å; N547-F549 PolarHBondContact O-N 3.37Å; N547-F549 WeakPolarHBondContact OD1-CA 3.36Å; N547-F549 PolarHBondContact OD1-N 2.64Å; N547-L550 PolarHBondContact OD1-N 3.45Å; N547-D551 WeakPolarHBondContact O-CA 3.42Å; N547-D551 PolarHBondContact O-N 3.41Å; N547-D551 VanDerWaalsContact O-N 3.09Å; N547-T552 VanDerWaalsContact CB-OG1 3.22Å; N547-T552 WeakPolarHBondContact CB-OG1 3.48Å; N547-T552 PolarHBondContact N-O 3.4Å |
| 548 | T | 93.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.8 | -175.2 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | L387 K389 L493 Q495 Q546 | L387-T548 HydrophobicContact CD2-CG2 3.72Å; L387-T548 HydrophobicContact CG-CG2 4.36Å; K389-T548 HydrophobicContact CB-CG2 4.42Å; K389-T548 HydrophobicContact CG-CG2 4.2Å; L493-T548 PolarHBondContact O-N 3.42Å; L493-T548 PolarHBondContact O-OG1 3.13Å; Q495-T548 HydrophobicContact CB-CG2 3.93Å; Q495-T548 HydrophobicContact CG-CG2 4.3Å; Q546-T548 PolarHBondContact O-N 3.46Å |
| 549 | F | 92.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 33 Ų | 33 | 9% | 0.092 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -44.5 | -177.5 | -170.4 | -104 | 0 | 0 | 0 | 112.8 | A392 N547 K612 R669 L670 M673 | A392-F549 HydrophobicContact CB-CB 3.81Å; A392-F549 HydrophobicContact CB-CD2 3.77Å; A392-F549 HydrophobicContact CB-CG 4.25Å; N547-F549 PolarHBondContact O-N 3.37Å; N547-F549 WeakPolarHBondContact OD1-CA 3.36Å; N547-F549 PolarHBondContact OD1-N 2.64Å; F549-K612 WeakPolarHBondContact O-CE 3.19Å; F549-K612 PolarHBondContact O-NZ 2.86Å; F549-R669 HydrophobicContact CE1-CG 4.23Å; F549-R669 HydrophobicContact CZ-CG 4.09Å; F549-L670 HydrophobicContact CE1-CD2 3.6Å; F549-L670 HydrophobicContact CE1-CG 4.24Å; F549-L670 HydrophobicContact CZ-CD2 3.84Å; F549-L670 HydrophobicContact CZ-CG 4.1Å; F549-M673 HydrophobicContact CB-CE 4.48Å; F549-M673 HydrophobicContact CD1-CE 3.41Å; F549-M673 VanDerWaalsContact CD1-CE 3.41Å; F549-M673 HydrophobicContact CD1-SD 3.26Å; F549-M673 WeakPolarHBondContact CD1-SD 3.46Å; F549-M673 HydrophobicContact CE1-CE 3.79Å; F549-M673 HydrophobicContact CE1-SD 3.37Å; F549-M673 WeakPolarHBondContact CE1-SD 3.28Å; F549-M673 HydrophobicContact CG-CE 4.09Å; F549-M673 HydrophobicContact CG-SD 4.42Å |
| 550 | L | 91.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -9.5 | -175.4 | -61.3 | -177.2 | 0 | 0 | 0 | 114.3 | N547 T552 I609 M673 | N547-L550 PolarHBondContact OD1-N 3.45Å; L550-T552 HydrophobicContact CB-CG2 3.93Å; L550-T552 PolarHBondContact O-N 2.83Å; L550-I609 HydrophobicContact CD2-CD1 4.29Å; L550-I609 HydrophobicContact CD2-CG1 3.72Å; L550-M673 HydrophobicContact CD1-SD 4.02Å; L550-M673 HydrophobicContact CD2-SD 3.88Å; L550-M673 HydrophobicContact CG-SD 4.01Å |
| 551 | D | 93.3 | Very high | 96.3 | Very high | 55 Ų | 55 | 30.9 Ų | 30.9 | 29% | 0.294 | 15% | 0.148 | S | C | . | . | trans | 63 | 16.6 | -177.2 | -56.8 | -65 | 0 | 0 | 0 | 114.7 | R504 Q546 N547 K612 | R504-D551 PolarHBondContact NH1-O 3.22Å; Q546-D551 PolarHBondContact NE2-OD1 3.38Å; N547-D551 WeakPolarHBondContact O-CA 3.42Å; N547-D551 PolarHBondContact O-N 3.41Å; N547-D551 VanDerWaalsContact O-N 3.09Å; D551-K612 IonicContact OD2-NZ 3.85Å; D551-K612 PolarHBondContact OD2-NZ 3.4Å; D551-K612 VanDerWaalsContact OD2-NZ 3.12Å | ||
| 552 | T | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -74.4 | 153.5 | 172 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | Q546 N547 L550 D568 N569 T605 L608 | Q546-T552 CarbonylContact C-O 3.52Å; Q546-T552 WeakPolarHBondContact CA-O 3.29Å; N547-T552 VanDerWaalsContact CB-OG1 3.22Å; N547-T552 WeakPolarHBondContact CB-OG1 3.48Å; N547-T552 PolarHBondContact N-O 3.4Å; L550-T552 HydrophobicContact CB-CG2 3.93Å; L550-T552 PolarHBondContact O-N 2.83Å; T552-D568 VanDerWaalsContact CA-OD1 3.27Å; T552-D568 WeakPolarHBondContact CA-OD1 3.21Å; T552-D568 WeakPolarHBondContact CB-OD1 3.4Å; T552-N569 HydrophobicContact CG2-CB 3.94Å; T552-T605 HydrophobicContact CG2-CG2 4.45Å; T552-L608 HydrophobicContact CG2-CD1 3.93Å | ||
| 553 | Q | 97.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 151.3 | -172.9 | -66.2 | 173.5 | -14.4 | 0 | 0 | 111.9 | I500 D501 F545 S567 D568 | I500-Q553 HydrophobicContact CB-CB 4.42Å; I500-Q553 HydrophobicContact CG2-CB 4.07Å; I500-Q553 HydrophobicContact CG2-CG 4.29Å; D501-Q553 PolarHBondContact O-OE1 3.31Å; F545-Q553 WeakPolarHBondContact O-CA 3.31Å; Q553-S567 WeakPolarHBondContact O-CA 3.39Å; Q553-S567 VanDerWaalsContact O-CB 3.29Å; Q553-S567 WeakPolarHBondContact O-CB 3.45Å; Q553-S567 PolarHBondContact O-OG 3.42Å; Q553-D568 PolarHBondContact N-OD1 2.94Å; Q553-D568 PolarHBondContact N-OD2 3.19Å; Q553-D568 PolarHBondContact O-N 3.23Å |
| 554 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 121.4 | 175.2 | 170.9 | 69.6 | 0 | 0 | 0 | 110 | L491 L528 Y544 F545 F565 K566 T572 L576 | L491-L554 HydrophobicContact CD1-CD2 3.7Å; L528-L554 HydrophobicContact CD1-CD2 4.15Å; L528-L554 HydrophobicContact CD2-CD2 3.77Å; Y544-L554 CarbonylContact C-O 3.51Å; F545-L554 HydrophobicContact CB-CB 4.24Å; F545-L554 HydrophobicContact CD2-CD2 4.26Å; F545-L554 HydrophobicContact CD2-CG 4.44Å; F545-L554 PolarHBondContact N-O 2.6Å; F545-L554 PolarHBondContact O-N 3.09Å; L554-F565 HydrophobicContact CD1-CB 4.37Å; L554-K566 CarbonylContact C-O 3.54Å; L554-K566 WeakPolarHBondContact CA-O 3.43Å; L554-T572 HydrophobicContact CB-CG2 4.47Å; L554-T572 HydrophobicContact CD1-CG2 4.11Å; L554-T572 HydrophobicContact CD2-CG2 4.07Å; L554-T572 HydrophobicContact CG-CG2 4.46Å; L554-L576 HydrophobicContact CD1-CD1 3.86Å; L554-L576 HydrophobicContact CD2-CD1 4.23Å |
| 555 | E | 98.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.9 | 166.6 | -174.6 | 174 | -133.2 | 0 | 0 | 109.1 | I500 H502 T542 Y544 I557 F565 K566 | I500-E555 HydrophobicContact CD1-CB 3.65Å; I500-E555 HydrophobicContact CD1-CG 4.15Å; H502-E555 IonicContact CE1-OE1 2.73Å; T542-E555 HydrophobicContact CG2-CG 4.49Å; Y544-E555 HydrophobicContact CD1-CB 4.38Å; Y544-E555 HydrophobicContact CD1-CG 4.11Å; Y544-E555 HydrophobicContact CE1-CG 3.81Å; E555-I557 HydrophobicContact CG-CD1 3.94Å; E555-I557 HydrophobicContact CG-CG1 3.92Å; E555-F565 CarbonylContact O-C 3.36Å; E555-F565 VanDerWaalsContact O-CA 3.3Å; E555-F565 WeakPolarHBondContact O-CA 3.36Å; E555-K566 HydrophobicContact CB-CB 4.15Å; E555-K566 PolarHBondContact N-O 3.29Å; E555-K566 PolarHBondContact O-N 3.18Å; E555-K566 WeakPolarHBondContact OE2-CD 3.34Å; E555-K566 WeakPolarHBondContact OE2-CE 3.44Å; E555-K566 IonicContact OE2-NZ 3.24Å; E555-K566 PolarHBondContact OE2-NZ 3.19Å |
| 556 | S | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 110.9 | 172.7 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | T542 F543 F565 | T542-S556 CarbonylContact C-O 3.59Å; T542-S556 VanDerWaalsContact CA-O 3.29Å; T542-S556 WeakPolarHBondContact CA-O 3.27Å; F543-S556 PolarHBondContact N-O 3.15Å; F543-S556 PolarHBondContact O-N 3.23Å; S556-F565 WeakPolarHBondContact OG-CD1 3.43Å; S556-F565 WeakPolarHBondContact OG-CE1 2.9Å |
| 557 | I | 97.9 | Very high | 96.7 | Very high | 40 Ų | 40 | 29 Ų | 29 | 21% | 0.205 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.8 | 176 | -58.5 | 163.1 | 0 | 0 | 0 | 107.5 | V541 T542 E555 V564 | V541-I557 WeakPolarHBondContact O-CA 3.46Å; T542-I557 HydrophobicContact CG2-CG1 3.7Å; E555-I557 HydrophobicContact CG-CD1 3.94Å; E555-I557 HydrophobicContact CG-CG1 3.92Å; I557-V564 PolarHBondContact N-O 2.81Å; I557-V564 PolarHBondContact O-N 2.89Å; I557-V564 VanDerWaalsContact O-O 3.11Å |
| 558 | Y | 97.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 150.7 | 178.8 | 56.9 | -88.3 | 0 | 0 | 0 | 112.6 | F517 V520 H521 V524 C540 V541 F543 E562 | F517-Y558 HydrophobicContact CD2-CD2 4.23Å; F517-Y558 HydrophobicContact CD2-CE2 4.38Å; F517-Y558 AromaticContact CE2-CD2 3.82Å; F517-Y558 HydrophobicContact CE2-CD2 3.82Å; F517-Y558 AromaticContact CE2-CE2 3.65Å; F517-Y558 HydrophobicContact CE2-CE2 3.65Å; F517-Y558 HydrophobicContact CZ-CE2 4.2Å; V520-Y558 HydrophobicContact CG1-CD2 3.74Å; V520-Y558 HydrophobicContact CG1-CG 4.41Å; V520-Y558 HydrophobicContact CG2-CD2 4.26Å; V520-Y558 HydrophobicContact CG2-CG 4.2Å; H521-Y558 HydrophobicContact CB-CE2 4.02Å; H521-Y558 AromaticContact ND1-CE2 3.97Å; H521-Y558 AromaticContact ND1-CZ 3.84Å; H521-Y558 PolarHBondContact ND1-OH 3.05Å; V524-Y558 HydrophobicContact CB-CE1 4.32Å; V524-Y558 HydrophobicContact CG1-CE1 4.01Å; V524-Y558 HydrophobicContact CG2-CD1 3.98Å; V524-Y558 HydrophobicContact CG2-CE1 3.87Å; V524-Y558 HydrophobicContact CG2-CG 4.5Å; C540-Y558 WeakPolarHBondContact CA-O 3.47Å; V541-Y558 HydrophobicContact CB-CE1 4.46Å; V541-Y558 HydrophobicContact CB-CE2 4.14Å; V541-Y558 HydrophobicContact CG1-CE1 4.34Å; V541-Y558 PolarHBondContact N-O 2.78Å; V541-Y558 PolarHBondContact O-N 3.31Å; F543-Y558 HydrophobicContact CD2-CE1 4.06Å; F543-Y558 HydrophobicContact CE2-CE1 4.4Å; F543-Y558 WeakPolarHBondContact CE2-OH 3.19Å; Y558-E562 WeakPolarHBondContact CA-O 3.23Å |
| 559 | R | 97.1 | Very high | 96.9 | Very high | 121 Ų | 121 | 28.7 Ų | 28.7 | 46% | 0.457 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | -178.9 | 177.4 | 60.3 | 179.2 | 136.1 | -147.7 | -6.4 | 109.8 | E539 C540 G561 E562 | E539-R559 VanDerWaalsContact O-CA 3.23Å; E539-R559 WeakPolarHBondContact O-CA 3.41Å; E539-R559 WeakPolarHBondContact O-CB 3.48Å; C540-R559 HydrophobicContact CB-CB 4.02Å; R559-G561 PolarHBondContact O-N 3.41Å; R559-G561 VanDerWaalsContact O-N 3.15Å; R559-E562 HydrophobicContact CG-CB 4.03Å; R559-E562 IonicContact CZ-OE2 3.78Å; R559-E562 VanDerWaalsContact CZ-OE2 3.24Å; R559-E562 PolarHBondContact N-O 2.97Å; R559-E562 IonicContact NE-OE2 3.76Å; R559-E562 PolarHBondContact NE-OE2 2.94Å; R559-E562 IonicContact NH2-OE2 2.78Å; R559-E562 PolarHBondContact NH2-OE2 3.49Å; R559-E562 PolarHBondContact O-N 3.45Å |
| 560 | K | 96.3 | Very high | 97 | Very high | 159 Ų | 159 | 27.7 Ų | 27.7 | 69% | 0.691 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 121.7 | 173.7 | -176.3 | -179.4 | 177.9 | -177.2 | 0 | 110.7 | E562 | K560-E562 VanDerWaalsContact C-N 3.27Å; K560-E562 PolarHBondContact O-N 3.49Å |
| 561 | G | 95.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 28 Ų | 28 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -1.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | T512 G513 F515 R559 | T512-G561 WeakPolarHBondContact CA-O 3.44Å; G513-G561 PolarHBondContact N-O 2.97Å; G513-G561 VanDerWaalsContact N-O 3.11Å; G513-G561 VanDerWaalsContact O-CA 3.23Å; G513-G561 WeakPolarHBondContact O-CA 3.36Å; F515-G561 PolarHBondContact O-N 2.8Å; R559-G561 PolarHBondContact O-N 3.41Å; R559-G561 VanDerWaalsContact O-N 3.15Å |
| 562 | E | 97.6 | Very high | 97.5 | Very high | 60 Ų | 60 | 25.4 Ų | 25.4 | 28% | 0.28 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 134.2 | 179.7 | -175.1 | -174.6 | -149.9 | 0 | 0 | 111.5 | L511 T512 F515 Y558 R559 K560 V564 | L511-E562 CarbonylContact O-C 3.58Å; L511-E562 WeakPolarHBondContact O-CA 3.29Å; T512-E562 HydrophobicContact CG2-CG 4.45Å; F515-E562 VanDerWaalsContact CZ-N 3.28Å; Y558-E562 WeakPolarHBondContact CA-O 3.23Å; R559-E562 HydrophobicContact CG-CB 4.03Å; R559-E562 IonicContact CZ-OE2 3.78Å; R559-E562 VanDerWaalsContact CZ-OE2 3.24Å; R559-E562 PolarHBondContact N-O 2.97Å; R559-E562 IonicContact NE-OE2 3.76Å; R559-E562 PolarHBondContact NE-OE2 2.94Å; R559-E562 IonicContact NH2-OE2 2.78Å; R559-E562 PolarHBondContact NH2-OE2 3.49Å; R559-E562 PolarHBondContact O-N 3.45Å; K560-E562 VanDerWaalsContact C-N 3.27Å; K560-E562 PolarHBondContact O-N 3.49Å; E562-V564 HydrophobicContact CG-CG2 4.37Å |
| 563 | G | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 129.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T510 L511 | T510-G563 CarbonylContact C-O 3.49Å; T510-G563 WeakPolarHBondContact CA-O 3.41Å; L511-G563 PolarHBondContact N-O 3.38Å; L511-G563 PolarHBondContact O-N 2.85Å |
| 564 | V | 98.4 | Very high | 97.5 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 15% | 0.152 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.2 | -180 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | T508 L509 T510 I557 E562 K566 | T508-V564 HydrophobicContact CG2-CG1 3.87Å; L509-V564 WeakPolarHBondContact O-CA 3.29Å; T510-V564 HydrophobicContact CG2-CG2 4.24Å; I557-V564 PolarHBondContact N-O 2.81Å; I557-V564 PolarHBondContact O-N 2.89Å; I557-V564 VanDerWaalsContact O-O 3.11Å; E562-V564 HydrophobicContact CG-CG2 4.37Å; V564-K566 HydrophobicContact CG1-CG 4.14Å |
| 565 | F | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.7 | 178.8 | -55.5 | -94.3 | 0 | 0 | 0 | 108.6 | T508 L509 L511 V524 L554 E555 S556 I573 L576 L580 | T508-F565 CarbonylContact C-O 3.58Å; T508-F565 WeakPolarHBondContact CA-O 3.2Å; L509-F565 HydrophobicContact CB-CB 4.32Å; L509-F565 HydrophobicContact CD2-CD2 4.4Å; L509-F565 PolarHBondContact N-O 3.46Å; L509-F565 PolarHBondContact O-N 2.92Å; L511-F565 HydrophobicContact CD1-CE2 3.82Å; L511-F565 HydrophobicContact CG-CE2 4.34Å; V524-F565 HydrophobicContact CG2-CE1 4.05Å; V524-F565 HydrophobicContact CG2-CZ 4.12Å; L554-F565 HydrophobicContact CD1-CB 4.37Å; E555-F565 CarbonylContact O-C 3.36Å; E555-F565 VanDerWaalsContact O-CA 3.3Å; E555-F565 WeakPolarHBondContact O-CA 3.36Å; S556-F565 WeakPolarHBondContact OG-CD1 3.43Å; S556-F565 WeakPolarHBondContact OG-CE1 2.9Å; F565-I573 HydrophobicContact CB-CD1 4.45Å; F565-L576 HydrophobicContact CB-CD1 3.95Å; F565-L576 HydrophobicContact CD1-CD1 3.96Å; F565-L576 HydrophobicContact CG-CD1 4.1Å; F565-L580 HydrophobicContact CD2-CD1 4.31Å; F565-L580 HydrophobicContact CE1-CD1 4.39Å; F565-L580 HydrophobicContact CE2-CD1 3.75Å; F565-L580 HydrophobicContact CZ-CD1 3.79Å |
| 566 | K | 98.3 | Very high | 97.4 | Very high | 59 Ų | 59 | 25.3 Ų | 25.3 | 26% | 0.257 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.2 | 178.9 | -49.8 | -168.6 | -160 | 128.8 | 0 | 110.9 | M506 N507 T508 L554 E555 V564 | M506-K566 HydrophobicContact CB-CB 4.28Å; N507-K566 CarbonylContact O-C 3.59Å; N507-K566 WeakPolarHBondContact O-CA 3.28Å; T508-K566 HydrophobicContact CG2-CG 4.17Å; L554-K566 CarbonylContact C-O 3.54Å; L554-K566 WeakPolarHBondContact CA-O 3.43Å; E555-K566 HydrophobicContact CB-CB 4.15Å; E555-K566 PolarHBondContact N-O 3.29Å; E555-K566 PolarHBondContact O-N 3.18Å; E555-K566 WeakPolarHBondContact OE2-CD 3.34Å; E555-K566 WeakPolarHBondContact OE2-CE 3.44Å; E555-K566 IonicContact OE2-NZ 3.24Å; E555-K566 PolarHBondContact OE2-NZ 3.19Å; V564-K566 HydrophobicContact CG1-CG 4.14Å |
| 567 | S | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 142 | 177.4 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | N507 Q553 N569 | N507-S567 WeakPolarHBondContact CB-O 3.45Å; N507-S567 PolarHBondContact N-O 2.96Å; N507-S567 PolarHBondContact ND2-O 3.02Å; N507-S567 VanDerWaalsContact ND2-O 3.08Å; N507-S567 PolarHBondContact O-N 2.93Å; Q553-S567 WeakPolarHBondContact O-CA 3.39Å; Q553-S567 VanDerWaalsContact O-CB 3.29Å; Q553-S567 WeakPolarHBondContact O-CB 3.45Å; Q553-S567 PolarHBondContact O-OG 3.42Å; S567-N569 PolarHBondContact O-N 3.4Å; S567-N569 PolarHBondContact OG-N 2.87Å; S567-N569 VanDerWaalsContact OG-N 3.16Å; S567-N569 PolarHBondContact OG-O 2.82Å |
| 568 | D | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -70.8 | -8.2 | 169.8 | 59.5 | -3.3 | 0 | 0 | 0 | 112.4 | R504 M506 T552 Q553 H604 T605 | R504-D568 HydrophobicContact CB-CB 4.21Å; R504-D568 WeakPolarHBondContact CD-OD2 3.45Å; R504-D568 IonicContact CZ-OD2 2.96Å; R504-D568 IonicContact NE-OD2 2.99Å; R504-D568 IonicContact NH1-OD2 2.67Å; R504-D568 PolarHBondContact NH1-OD2 2.99Å; M506-D568 HydrophobicContact SD-CB 4.23Å; M506-D568 PolarHBondContact SD-N 3.29Å; M506-D568 VanDerWaalsContact SD-N 3.44Å; T552-D568 VanDerWaalsContact CA-OD1 3.27Å; T552-D568 WeakPolarHBondContact CA-OD1 3.21Å; T552-D568 WeakPolarHBondContact CB-OD1 3.4Å; Q553-D568 PolarHBondContact N-OD1 2.94Å; Q553-D568 PolarHBondContact N-OD2 3.19Å; Q553-D568 PolarHBondContact O-N 3.23Å; D568-H604 IonicContact OD2-NE2 3.52Å; D568-T605 PolarHBondContact O-OG1 2.79Å |
| 569 | N | 97.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.032 | 14% | 0.135 | C | C | . | . | trans | -108.9 | 122.9 | 173.6 | -168.8 | 4.7 | 0 | 0 | 0 | 112.5 | T552 S567 S571 T572 L677 | T552-N569 HydrophobicContact CG2-CB 3.94Å; S567-N569 PolarHBondContact O-N 3.4Å; S567-N569 PolarHBondContact OG-N 2.87Å; S567-N569 VanDerWaalsContact OG-N 3.16Å; S567-N569 PolarHBondContact OG-O 2.82Å; N569-S571 PolarHBondContact O-N 2.84Å; N569-S571 PolarHBondContact OD1-N 2.89Å; N569-T572 PolarHBondContact O-N 2.96Å; N569-L677 WeakPolarHBondContact OD1-CD1 3.43Å | ||
| 570 | I | 96.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.8 | -30.9 | 179.5 | -167.9 | 163.1 | 0 | 0 | 0 | 112.8 | I573 S574 I597 V602 L677 F684 | I570-I573 PolarHBondContact O-N 2.88Å; I570-S574 PolarHBondContact O-N 3.14Å; I570-I597 HydrophobicContact CD1-CD1 3.94Å; I570-I597 HydrophobicContact CD1-CG1 4.26Å; I570-I597 HydrophobicContact CD1-CG2 3.65Å; I570-I597 HydrophobicContact CG1-CD1 4.1Å; I570-V602 HydrophobicContact CG2-CG2 4.38Å; I570-L677 HydrophobicContact CG2-CD1 3.39Å; I570-L677 HydrophobicContact CG2-CG 4.41Å; I570-F684 HydrophobicContact CD1-CD2 3.73Å; I570-F684 HydrophobicContact CD1-CE2 4.39Å; I570-F684 HydrophobicContact CD1-CG 4.47Å; I570-F684 HydrophobicContact CG1-CD2 3.57Å; I570-F684 HydrophobicContact CG1-CE2 3.72Å |
| 571 | S | 96.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 16.9 Ų | 16.9 | 8% | 0.084 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 177.9 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | N569 I573 S574 I575 L677 D680 | N569-S571 PolarHBondContact O-N 2.84Å; N569-S571 PolarHBondContact OD1-N 2.89Å; S571-I573 VanDerWaalsContact C-N 3.27Å; S571-I573 PolarHBondContact O-N 3.28Å; S571-S574 WeakPolarHBondContact O-CB 3.4Å; S571-S574 PolarHBondContact O-N 3.45Å; S571-S574 VanDerWaalsContact O-N 3.13Å; S571-I575 VanDerWaalsContact O-CG1 3.27Å; S571-I575 WeakPolarHBondContact O-CG1 3.3Å; S571-I575 PolarHBondContact O-N 2.98Å; S571-L677 WeakPolarHBondContact OG-CA 3.3Å; S571-L677 PolarHBondContact OG-N 2.8Å; S571-D680 VanDerWaalsContact CA-OD2 3.29Å; S571-D680 WeakPolarHBondContact CA-OD2 3.48Å; S571-D680 VanDerWaalsContact CB-OD2 3.26Å; S571-D680 WeakPolarHBondContact CB-OD2 3.42Å; S571-D680 PolarHBondContact OG-OD2 2.93Å |
| 572 | T | 97.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.5 | -44.8 | 172 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | L491 L554 N569 I575 L576 | L491-T572 HydrophobicContact CD1-CG2 3.85Å; L491-T572 HydrophobicContact CD2-CG2 4.03Å; L554-T572 HydrophobicContact CB-CG2 4.47Å; L554-T572 HydrophobicContact CD1-CG2 4.11Å; L554-T572 HydrophobicContact CD2-CG2 4.07Å; L554-T572 HydrophobicContact CG-CG2 4.46Å; N569-T572 PolarHBondContact O-N 2.96Å; T572-I575 PolarHBondContact O-N 3.45Å; T572-L576 HydrophobicContact CG2-CD1 4.29Å; T572-L576 WeakPolarHBondContact O-CG 3.36Å; T572-L576 PolarHBondContact O-N 2.92Å |
| 573 | I | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.7 | -39.5 | 177.4 | -61.2 | -57.1 | 0 | 0 | 0 | 112 | N507 L509 F565 I570 S571 L576 K577 F684 | N507-I573 HydrophobicContact CB-CG1 3.99Å; L509-I573 HydrophobicContact CB-CD1 4.21Å; L509-I573 HydrophobicContact CB-CG2 3.75Å; L509-I573 HydrophobicContact CD1-CG2 4.47Å; L509-I573 HydrophobicContact CD2-CG2 4.4Å; L509-I573 HydrophobicContact CG-CG2 4.43Å; F565-I573 HydrophobicContact CB-CD1 4.45Å; I570-I573 PolarHBondContact O-N 2.88Å; S571-I573 VanDerWaalsContact C-N 3.27Å; S571-I573 PolarHBondContact O-N 3.28Å; I573-L576 PolarHBondContact O-N 3.47Å; I573-K577 VanDerWaalsContact O-CB 3.3Å; I573-K577 WeakPolarHBondContact O-CB 3.39Å; I573-K577 PolarHBondContact O-N 3.4Å; I573-F684 HydrophobicContact CB-CZ 4.49Å; I573-F684 HydrophobicContact CG2-CE1 4.49Å; I573-F684 HydrophobicContact CG2-CE2 4.49Å; I573-F684 HydrophobicContact CG2-CZ 3.84Å |
| 574 | S | 97.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 174.8 | -167.2 | 0 | 0 | 0 | 0 | 111.6 | I570 S571 K577 D578 D680 K683 | I570-S574 PolarHBondContact O-N 3.14Å; S571-S574 WeakPolarHBondContact O-CB 3.4Å; S571-S574 PolarHBondContact O-N 3.45Å; S571-S574 VanDerWaalsContact O-N 3.13Å; S574-K577 PolarHBondContact O-N 2.89Å; S574-D578 PolarHBondContact O-N 2.78Å; S574-D680 WeakPolarHBondContact CB-OD1 3.2Å; S574-D680 VanDerWaalsContact OG-CG 3.28Å; S574-D680 PolarHBondContact OG-OD1 3.19Å; S574-K683 PolarHBondContact OG-NZ 3.31Å |
| 575 | I | 97.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 23 Ų | 23 | 12% | 0.123 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.3 | -49.1 | 179 | -66.4 | 163.7 | 0 | 0 | 0 | 110.4 | E462 P490 L491 S571 T572 K577 D578 V579 | E462-I575 HydrophobicContact CB-CD1 4.5Å; E462-I575 HydrophobicContact CG-CD1 3.91Å; P490-I575 HydrophobicContact CB-CG2 4.04Å; L491-I575 HydrophobicContact CD2-CB 4.08Å; L491-I575 HydrophobicContact CD2-CD1 4.13Å; L491-I575 HydrophobicContact CD2-CG2 3.78Å; L491-I575 HydrophobicContact CG-CG2 4.4Å; S571-I575 VanDerWaalsContact O-CG1 3.27Å; S571-I575 WeakPolarHBondContact O-CG1 3.3Å; S571-I575 PolarHBondContact O-N 2.98Å; T572-I575 PolarHBondContact O-N 3.45Å; I575-K577 PolarHBondContact O-N 2.88Å; I575-D578 PolarHBondContact O-N 3.16Å; I575-V579 HydrophobicContact CG2-CG2 4.3Å; I575-V579 WeakPolarHBondContact O-CB 3.31Å; I575-V579 VanDerWaalsContact O-CG2 3.31Å; I575-V579 WeakPolarHBondContact O-CG2 3.44Å; I575-V579 PolarHBondContact O-N 2.98Å |
| 576 | L | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 177.8 | -75.7 | 171.9 | 0 | 0 | 0 | 111.6 | L491 L509 C527 L554 F565 T572 I573 D578 V579 L580 | L491-L576 HydrophobicContact CD1-CD1 4.07Å; L491-L576 HydrophobicContact CD1-CD2 3.65Å; L491-L576 HydrophobicContact CD1-CG 3.76Å; L491-L576 HydrophobicContact CG-CD2 4.44Å; L509-L576 HydrophobicContact CD2-CB 3.92Å; C527-L576 HydrophobicContact CB-CD2 4.09Å; L554-L576 HydrophobicContact CD1-CD1 3.86Å; L554-L576 HydrophobicContact CD2-CD1 4.23Å; F565-L576 HydrophobicContact CB-CD1 3.95Å; F565-L576 HydrophobicContact CD1-CD1 3.96Å; F565-L576 HydrophobicContact CG-CD1 4.1Å; T572-L576 HydrophobicContact CG2-CD1 4.29Å; T572-L576 WeakPolarHBondContact O-CG 3.36Å; T572-L576 PolarHBondContact O-N 2.92Å; I573-L576 PolarHBondContact O-N 3.47Å; L576-D578 VanDerWaalsContact C-N 3.34Å; L576-D578 PolarHBondContact O-N 3.21Å; L576-V579 PolarHBondContact O-N 3.16Å; L576-L580 HydrophobicContact CB-CD1 4.16Å; L576-L580 HydrophobicContact CD2-CD1 4.26Å; L576-L580 WeakPolarHBondContact O-CB 3.39Å; L576-L580 WeakPolarHBondContact O-CD1 3.36Å; L576-L580 WeakPolarHBondContact O-CG 3.41Å; L576-L580 PolarHBondContact O-N 3.46Å |
| 577 | K | 96.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 32.5 Ų | 32.5 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.8 | -50.2 | 177.5 | 177.5 | -173.4 | 170.1 | -160.6 | 0 | 111.1 | L509 I573 S574 I575 S581 I593 F684 | L509-K577 HydrophobicContact CD1-CB 4.16Å; L509-K577 HydrophobicContact CD1-CG 4.42Å; L509-K577 HydrophobicContact CD2-CB 4.12Å; I573-K577 VanDerWaalsContact O-CB 3.3Å; I573-K577 WeakPolarHBondContact O-CB 3.39Å; I573-K577 PolarHBondContact O-N 3.4Å; S574-K577 PolarHBondContact O-N 2.89Å; I575-K577 PolarHBondContact O-N 2.88Å; K577-S581 VanDerWaalsContact O-CB 3.24Å; K577-S581 WeakPolarHBondContact O-CB 3.3Å; K577-S581 PolarHBondContact O-N 3.12Å; K577-S581 VanDerWaalsContact O-N 3.08Å; K577-S581 PolarHBondContact O-OG 3.23Å; K577-I593 HydrophobicContact CG-CG2 4.27Å; K577-F684 HydrophobicContact CD-CE1 3.87Å; K577-F684 HydrophobicContact CD-CZ 4.26Å |
| 578 | D | 95.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 41.6 Ų | 41.6 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.9 | -45.4 | -176.7 | -74.9 | 0.3 | 0 | 0 | 0 | 111.6 | S574 I575 L576 K582 K683 | S574-D578 PolarHBondContact O-N 2.78Å; I575-D578 PolarHBondContact O-N 3.16Å; L576-D578 VanDerWaalsContact C-N 3.34Å; L576-D578 PolarHBondContact O-N 3.21Å; D578-K582 VanDerWaalsContact O-CG 3.31Å; D578-K582 WeakPolarHBondContact O-CG 2.99Å; D578-K582 PolarHBondContact O-N 3.31Å; D578-K582 VanDerWaalsContact O-N 3.11Å; D578-K683 IonicContact OD1-NZ 2.77Å; D578-K683 PolarHBondContact OD1-NZ 2.78Å; D578-K683 IonicContact OD2-NZ 3.29Å; D578-K683 PolarHBondContact OD2-NZ 2.86Å |
| 579 | V | 96.8 | Very high | 96 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71 | -45.7 | -177.2 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | Y465 P490 F526 C527 I575 L576 S581 K582 E583 | Y465-V579 HydrophobicContact CD1-CG2 4.24Å; Y465-V579 HydrophobicContact CE1-CG2 3.66Å; P490-V579 HydrophobicContact CB-CG2 3.94Å; P490-V579 HydrophobicContact CG-CG1 3.97Å; P490-V579 HydrophobicContact CG-CG2 4.09Å; F526-V579 HydrophobicContact CD1-CG1 3.97Å; F526-V579 HydrophobicContact CE1-CG1 3.87Å; C527-V579 VanDerWaalsContact SG-CG1 3.53Å; I575-V579 HydrophobicContact CG2-CG2 4.3Å; I575-V579 WeakPolarHBondContact O-CB 3.31Å; I575-V579 VanDerWaalsContact O-CG2 3.31Å; I575-V579 WeakPolarHBondContact O-CG2 3.44Å; I575-V579 PolarHBondContact O-N 2.98Å; L576-V579 PolarHBondContact O-N 3.16Å; V579-S581 VanDerWaalsContact C-N 3.29Å; V579-S581 PolarHBondContact O-N 2.92Å; V579-K582 WeakPolarHBondContact O-CB 2.92Å; V579-K582 PolarHBondContact O-N 2.76Å; V579-K582 VanDerWaalsContact O-N 3.1Å; V579-E583 HydrophobicContact CG1-CG 4.43Å; V579-E583 PolarHBondContact O-N 3.31Å |
| 580 | L | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -35.3 | 179.7 | -63.3 | 171.7 | 0 | 0 | 0 | 111 | L511 W523 F565 L576 E583 A584 | L511-L580 HydrophobicContact CD1-CB 3.89Å; L511-L580 HydrophobicContact CD1-CD1 3.49Å; L511-L580 VanDerWaalsContact CD1-CD1 3.49Å; L511-L580 HydrophobicContact CD1-CG 4.23Å; W523-L580 HydrophobicContact CB-CD2 3.61Å; W523-L580 HydrophobicContact CG-CD2 4.46Å; F565-L580 HydrophobicContact CD2-CD1 4.31Å; F565-L580 HydrophobicContact CE1-CD1 4.39Å; F565-L580 HydrophobicContact CE2-CD1 3.75Å; F565-L580 HydrophobicContact CZ-CD1 3.79Å; L576-L580 HydrophobicContact CB-CD1 4.16Å; L576-L580 HydrophobicContact CD2-CD1 4.26Å; L576-L580 WeakPolarHBondContact O-CB 3.39Å; L576-L580 WeakPolarHBondContact O-CD1 3.36Å; L576-L580 WeakPolarHBondContact O-CG 3.41Å; L576-L580 PolarHBondContact O-N 3.46Å; L580-E583 PolarHBondContact O-N 3.41Å; L580-A584 WeakPolarHBondContact O-CB 3.3Å; L580-A584 PolarHBondContact O-N 2.89Å |
| 581 | S | 95.7 | Very high | 95.6 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 171.3 | -59.7 | 0 | 0 | 0 | 0 | 112 | K577 V579 T585 I593 | K577-S581 VanDerWaalsContact O-CB 3.24Å; K577-S581 WeakPolarHBondContact O-CB 3.3Å; K577-S581 PolarHBondContact O-N 3.12Å; K577-S581 VanDerWaalsContact O-N 3.08Å; K577-S581 PolarHBondContact O-OG 3.23Å; V579-S581 VanDerWaalsContact C-N 3.29Å; V579-S581 PolarHBondContact O-N 2.92Å; S581-T585 WeakPolarHBondContact O-CB 3.46Å; S581-T585 PolarHBondContact O-N 2.8Å; S581-T585 PolarHBondContact O-OG1 2.98Å; S581-I593 WeakPolarHBondContact OG-CD1 3.45Å |
| 582 | K | 95.7 | Very high | 95.6 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 46% | 0.457 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 176.4 | -73.2 | 172.2 | -175.1 | 177.7 | 0 | 111.5 | D578 V579 T585 K586 | D578-K582 VanDerWaalsContact O-CG 3.31Å; D578-K582 WeakPolarHBondContact O-CG 2.99Å; D578-K582 PolarHBondContact O-N 3.31Å; D578-K582 VanDerWaalsContact O-N 3.11Å; V579-K582 WeakPolarHBondContact O-CB 2.92Å; V579-K582 PolarHBondContact O-N 2.76Å; V579-K582 VanDerWaalsContact O-N 3.1Å; K582-T585 PolarHBondContact O-N 2.98Å; K582-K586 WeakPolarHBondContact O-CG 3.39Å; K582-K586 PolarHBondContact O-N 3.41Å |
| 583 | E | 95.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 179.7 | -73.5 | -54.3 | 121.4 | 0 | 0 | 112.6 | W523 F526 V579 L580 K586 R587 | W523-E583 HydrophobicContact CG-CB 4.13Å; F526-E583 HydrophobicContact CD1-CG 4.2Å; V579-E583 HydrophobicContact CG1-CG 4.43Å; V579-E583 PolarHBondContact O-N 3.31Å; L580-E583 PolarHBondContact O-N 3.41Å; E583-K586 PolarHBondContact O-N 3.41Å; E583-K586 WeakPolarHBondContact OE1-CD 3.26Å; E583-K586 WeakPolarHBondContact OE1-CE 3.5Å; E583-K586 IonicContact OE1-NZ 2.82Å; E583-K586 PolarHBondContact OE1-NZ 3.12Å; E583-R587 PolarHBondContact O-N 3.05Å |
| 584 | A | 94.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W523 L580 K586 R587 K588 I589 L591 | W523-A584 HydrophobicContact CH2-CB 4.05Å; W523-A584 HydrophobicContact CZ2-CB 4.17Å; L580-A584 WeakPolarHBondContact O-CB 3.3Å; L580-A584 PolarHBondContact O-N 2.89Å; A584-K586 PolarHBondContact O-N 3.44Å; A584-R587 CarbonylContact O-C 3.56Å; A584-R587 PolarHBondContact O-N 2.95Å; A584-R587 VanDerWaalsContact O-N 3.12Å; A584-K588 PolarHBondContact O-N 2.92Å; A584-I589 HydrophobicContact CB-CB 4.3Å; A584-I589 PolarHBondContact O-N 3Å; A584-L591 HydrophobicContact CB-CD1 3.29Å; A584-L591 HydrophobicContact CB-CD2 4.47Å; A584-L591 HydrophobicContact CB-CG 3.55Å |
| 585 | T | 94.7 | Very high | 95.4 | Very high | 106 Ų | 106 | 65.2 Ų | 65.2 | 65% | 0.65 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 176.9 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | S581 K582 R587 K588 | S581-T585 WeakPolarHBondContact O-CB 3.46Å; S581-T585 PolarHBondContact O-N 2.8Å; S581-T585 PolarHBondContact O-OG1 2.98Å; K582-T585 PolarHBondContact O-N 2.98Å; T585-R587 PolarHBondContact O-N 2.89Å; T585-K588 PolarHBondContact O-N 3.37Å |
| 586 | K | 94.6 | Very high | 95.4 | Very high | 135 Ų | 135 | 70.9 Ų | 70.9 | 59% | 0.587 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.3 | -36.6 | 174.3 | -75.2 | 175.8 | -176.1 | 173.8 | 0 | 112.2 | K582 E583 A584 | K582-K586 WeakPolarHBondContact O-CG 3.39Å; K582-K586 PolarHBondContact O-N 3.41Å; E583-K586 PolarHBondContact O-N 3.41Å; E583-K586 WeakPolarHBondContact OE1-CD 3.26Å; E583-K586 WeakPolarHBondContact OE1-CE 3.5Å; E583-K586 IonicContact OE1-NZ 2.82Å; E583-K586 PolarHBondContact OE1-NZ 3.12Å; A584-K586 PolarHBondContact O-N 3.44Å |
| 587 | R | 93 | Very high | 95.2 | Very high | 124 Ų | 124 | 72.9 Ų | 72.9 | 47% | 0.468 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3.7 | 177.7 | -64.5 | -168.7 | -178.8 | -137.5 | 3.6 | 114.3 | S522 E583 A584 T585 I589 | S522-R587 PolarHBondContact OG-NH2 2.86Å; E583-R587 PolarHBondContact O-N 3.05Å; A584-R587 CarbonylContact O-C 3.56Å; A584-R587 PolarHBondContact O-N 2.95Å; A584-R587 VanDerWaalsContact O-N 3.12Å; T585-R587 PolarHBondContact O-N 2.89Å; R587-I589 HydrophobicContact CB-CD1 3.88Å; R587-I589 HydrophobicContact CB-CG1 4.22Å; R587-I589 PolarHBondContact O-N 3.47Å |
| 588 | K | 94.4 | Very high | 95.1 | Very high | 191 Ų | 191 | 73.6 Ų | 73.6 | 83% | 0.83 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 34.6 | -176.5 | -54.2 | 178.4 | 179.6 | 178.3 | 0 | 113.3 | A584 T585 | A584-K588 PolarHBondContact O-N 2.92Å; T585-K588 PolarHBondContact O-N 3.37Å |
| 589 | I | 93.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 75.4 Ų | 75.4 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | trans | -94.4 | 124.2 | 175.4 | -68.1 | 163.4 | 0 | 0 | 0 | 108.7 | F515 W523 A584 R587 L591 | F515-I589 HydrophobicContact CB-CD1 4.26Å; F515-I589 HydrophobicContact CB-CG2 4.37Å; W523-I589 HydrophobicContact CH2-CD1 4.04Å; W523-I589 HydrophobicContact CH2-CG2 4.24Å; W523-I589 HydrophobicContact CZ2-CD1 3.68Å; A584-I589 HydrophobicContact CB-CB 4.3Å; A584-I589 PolarHBondContact O-N 3Å; R587-I589 HydrophobicContact CB-CD1 3.88Å; R587-I589 HydrophobicContact CB-CG1 4.22Å; R587-I589 PolarHBondContact O-N 3.47Å; I589-L591 HydrophobicContact CG2-CD2 4.06Å; I589-L591 HydrophobicContact CG2-CG 4.42Å; I589-L591 PolarHBondContact O-N 3.19Å | ||
| 590 | N | 92.3 | Very high | 94.6 | Very high | 149 Ų | 149 | 79.1 Ų | 79.1 | 80% | 0.797 | 39% | 0.391 | S | S | * | . | trans | -80.6 | 111.3 | 174.1 | -65.7 | -28.7 | 0 | 0 | 0 | 109.2 | ||||
| 591 | L | 94 | Very high | 94.5 | Very high | 37 Ų | 37 | 79.1 Ų | 79.1 | 19% | 0.194 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138.5 | 174 | -67.6 | -178.6 | 0 | 0 | 0 | 110.9 | L511 F515 W523 A584 I589 I593 | L511-L591 HydrophobicContact CD2-CD1 4.45Å; F515-L591 HydrophobicContact CD1-CD2 3.53Å; F515-L591 HydrophobicContact CE1-CD2 3.56Å; W523-L591 HydrophobicContact CH2-CD2 4.21Å; W523-L591 HydrophobicContact CZ3-CD1 4.3Å; W523-L591 HydrophobicContact CZ3-CD2 4.19Å; A584-L591 HydrophobicContact CB-CD1 3.29Å; A584-L591 HydrophobicContact CB-CD2 4.47Å; A584-L591 HydrophobicContact CB-CG 3.55Å; I589-L591 HydrophobicContact CG2-CD2 4.06Å; I589-L591 HydrophobicContact CG2-CG 4.42Å; I589-L591 PolarHBondContact O-N 3.19Å; L591-I593 HydrophobicContact CB-CD1 4.46Å; L591-I593 HydrophobicContact CB-CG1 4.06Å |
| 592 | N | 96.5 | Very high | 94.5 | Very high | 108 Ų | 108 | 77.4 Ų | 77.4 | 58% | 0.578 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118.4 | 161.1 | -178.4 | 24.6 | 0 | 0 | 0 | 108.5 | T512 | T512-N592 PolarHBondContact N-O 2.8Å; T512-N592 PolarHBondContact O-N 3.24Å; T512-N592 WeakPolarHBondContact OG1-CB 3.36Å; T512-N592 PolarHBondContact OG1-O 3.31Å |
| 593 | I | 95.9 | Very high | 94.4 | Very high | 44 Ų | 44 | 75.2 Ų | 75.2 | 23% | 0.226 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.8 | -173.3 | -52.3 | -170.1 | 0 | 0 | 0 | 108.4 | L509 L511 K577 S581 L591 | L509-I593 HydrophobicContact CD1-CG2 3.59Å; L511-I593 HydrophobicContact CD2-CB 4.06Å; L511-I593 HydrophobicContact CD2-CD1 3.82Å; L511-I593 HydrophobicContact CD2-CG1 3.54Å; L511-I593 HydrophobicContact CD2-CG2 3.79Å; K577-I593 HydrophobicContact CG-CG2 4.27Å; S581-I593 WeakPolarHBondContact OG-CD1 3.45Å; L591-I593 HydrophobicContact CB-CD1 4.46Å; L591-I593 HydrophobicContact CB-CG1 4.06Å |
| 594 | S | 96.8 | Very high | 94.4 | Very high | 56 Ų | 56 | 76.4 Ų | 76.4 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 148 | 173.5 | 56.5 | 0 | 0 | 0 | 0 | 109.5 | T510 | T510-S594 WeakPolarHBondContact CB-OG 3.25Å; T510-S594 PolarHBondContact N-O 3.1Å; T510-S594 PolarHBondContact O-N 2.97Å; T510-S594 PolarHBondContact O-OG 3.49Å |
| 595 | Y | 95.4 | Very high | 94.5 | Very high | 103 Ų | 103 | 76.4 Ų | 76.4 | 40% | 0.404 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 148.4 | 179.1 | 53.8 | -93.3 | 0 | 0 | 0 | 110.6 | T508 I597 F684 | T508-Y595 CarbonylContact O-C 3.52Å; T508-Y595 WeakPolarHBondContact O-CA 3.27Å; Y595-I597 HydrophobicContact CD2-CD1 4.43Å; Y595-I597 HydrophobicContact CD2-CG1 4.12Å; Y595-F684 HydrophobicContact CD1-CD1 4.19Å; Y595-F684 HydrophobicContact CD1-CE1 4.08Å; Y595-F684 AromaticContact CD2-CD1 3.59Å; Y595-F684 HydrophobicContact CD2-CD1 3.59Å; Y595-F684 HydrophobicContact CD2-CE1 4.05Å; Y595-F684 HydrophobicContact CE1-CD1 4.21Å; Y595-F684 HydrophobicContact CE1-CE1 4.42Å; Y595-F684 HydrophobicContact CE2-CB 4.39Å; Y595-F684 AromaticContact CE2-CD1 3.59Å; Y595-F684 HydrophobicContact CE2-CD1 3.59Å; Y595-F684 HydrophobicContact CE2-CE1 4.38Å; Y595-F684 HydrophobicContact CE2-CG 4.45Å; Y595-F684 AromaticContact CG-CD1 3.9Å; Y595-F684 HydrophobicContact CG-CD1 3.9Å; Y595-F684 AromaticContact CG-CE1 3.89Å; Y595-F684 HydrophobicContact CG-CE1 3.89Å; Y595-F684 AromaticContact CZ-CD1 3.92Å |
| 596 | E | 96.4 | Very high | 94.5 | Very high | 143 Ų | 143 | 71.7 Ų | 71.7 | 67% | 0.668 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 118.7 | 175.9 | -175.5 | 177.1 | -176.8 | 0 | 0 | 107.9 | N507 T508 | N507-E596 CarbonylContact C-O 3.42Å; N507-E596 WeakPolarHBondContact CA-O 3.24Å; T508-E596 PolarHBondContact N-O 3.26Å; T508-E596 PolarHBondContact O-N 3.42Å |
| 597 | I | 95.6 | Very high | 94.5 | Very high | 42 Ų | 42 | 71 Ų | 71 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | trans | -104.9 | 128.6 | -176.7 | -58.2 | -54 | 0 | 0 | 0 | 108.9 | N507 I570 Y595 F684 | N507-I597 HydrophobicContact CB-CD1 4.13Å; N507-I597 WeakPolarHBondContact OD1-CA 3.2Å; N507-I597 WeakPolarHBondContact OD1-CG2 3.36Å; I570-I597 HydrophobicContact CD1-CD1 3.94Å; I570-I597 HydrophobicContact CD1-CG1 4.26Å; I570-I597 HydrophobicContact CD1-CG2 3.65Å; I570-I597 HydrophobicContact CG1-CD1 4.1Å; Y595-I597 HydrophobicContact CD2-CD1 4.43Å; Y595-I597 HydrophobicContact CD2-CG1 4.12Å; I597-F684 HydrophobicContact CD1-CD1 4.32Å; I597-F684 HydrophobicContact CD1-CD2 4.28Å; I597-F684 HydrophobicContact CD1-CG 4.17Å; I597-F684 HydrophobicContact CG1-CB 4.2Å; I597-F684 HydrophobicContact CG1-CG 4.26Å | ||
| 598 | N | 93.9 | Very high | 94.6 | Very high | 60 Ų | 60 | 67.3 Ų | 67.3 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | trans | -89.2 | 113.2 | 171.8 | -173 | -30.4 | 0 | 0 | 0 | 108.8 | P505 N507 V600 S601 | P505-N598 HydrophobicContact CB-CB 4.41Å; P505-N598 WeakPolarHBondContact CB-ND2 3.34Å; N507-N598 PolarHBondContact OD1-N 2.96Å; N598-V600 PolarHBondContact O-N 2.87Å; N598-V600 WeakPolarHBondContact OD1-CB 3.15Å; N598-V600 PolarHBondContact OD1-N 2.64Å; N598-S601 VanDerWaalsContact O-CB 3.31Å; N598-S601 WeakPolarHBondContact O-CB 3.23Å; N598-S601 PolarHBondContact O-N 2.73Å; N598-S601 PolarHBondContact O-OG 3Å | ||
| 599 | E | 88 | Confident | 94.6 | Very high | 98 Ų | 98 | 58.4 Ų | 58.4 | 46% | 0.458 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.7 | -23.6 | -177.1 | -65.1 | -71.6 | 161.5 | 0 | 0 | 113 | S601 K685 | E599-S601 VanDerWaalsContact C-N 3.34Å; E599-K685 WeakPolarHBondContact OE1-CE 3.33Å; E599-K685 IonicContact OE1-NZ 3.79Å; E599-K685 PolarHBondContact OE1-NZ 2.9Å; E599-K685 IonicContact OE2-NZ 2.94Å; E599-K685 PolarHBondContact OE2-NZ 3.27Å |
| 600 | V | 94.3 | Very high | 94.6 | Very high | 82 Ų | 82 | 59.2 Ų | 59.2 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -77.5 | -20 | 177.3 | -172 | 0 | 0 | 0 | 0 | 112.2 | P505 N598 V602 Q603 H604 | P505-V600 HydrophobicContact CB-CB 4.42Å; N598-V600 PolarHBondContact O-N 2.87Å; N598-V600 WeakPolarHBondContact OD1-CB 3.15Å; N598-V600 PolarHBondContact OD1-N 2.64Å; V600-V602 VanDerWaalsContact C-N 3.29Å; V600-V602 PolarHBondContact O-N 2.73Å; V600-Q603 PolarHBondContact O-N 2.67Å; V600-H604 PolarHBondContact O-N 2.91Å |
| 601 | S | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.1 | -37.9 | -176 | 85.8 | 0 | 0 | 0 | 0 | 112.1 | P505 N507 N598 E599 Q603 H604 T605 | P505-S601 VanDerWaalsContact O-CB 3.26Å; P505-S601 WeakPolarHBondContact O-CB 3.37Å; N507-S601 VanDerWaalsContact ND2-CB 3.32Å; N507-S601 WeakPolarHBondContact ND2-CB 3.46Å; N507-S601 PolarHBondContact ND2-OG 3.37Å; N507-S601 PolarHBondContact OD1-OG 3.36Å; N598-S601 VanDerWaalsContact O-CB 3.31Å; N598-S601 WeakPolarHBondContact O-CB 3.23Å; N598-S601 PolarHBondContact O-N 2.73Å; N598-S601 PolarHBondContact O-OG 3Å; E599-S601 VanDerWaalsContact C-N 3.34Å; S601-Q603 PolarHBondContact O-N 2.96Å; S601-H604 WeakPolarHBondContact O-CB 3.29Å; S601-H604 PolarHBondContact O-N 2.89Å; S601-H604 VanDerWaalsContact O-N 3.17Å; S601-T605 PolarHBondContact O-N 3.04Å; S601-T605 PolarHBondContact O-OG1 3.48Å; S601-T605 VanDerWaalsContact O-OG1 3.07Å |
| 602 | V | 94.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 178.8 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | I570 V600 H604 T605 L606 L677 K681 F712 | I570-V602 HydrophobicContact CG2-CG2 4.38Å; V600-V602 VanDerWaalsContact C-N 3.29Å; V600-V602 PolarHBondContact O-N 2.73Å; V602-H604 VanDerWaalsContact C-N 3.27Å; V602-H604 PolarHBondContact O-N 2.91Å; V602-T605 PolarHBondContact O-N 2.84Å; V602-L606 HydrophobicContact CG1-CD1 4.18Å; V602-L606 HydrophobicContact CG1-CG 4.49Å; V602-L606 WeakPolarHBondContact O-CB 3.48Å; V602-L606 WeakPolarHBondContact O-CG 3.41Å; V602-L606 PolarHBondContact O-N 2.91Å; V602-L677 HydrophobicContact CG1-CD2 4.47Å; V602-K681 HydrophobicContact CG1-CD 4.17Å; V602-K681 HydrophobicContact CG2-CB 4.44Å; V602-K681 HydrophobicContact CG2-CD 4.01Å; V602-K681 HydrophobicContact CG2-CG 4.11Å; V602-F712 HydrophobicContact CG1-CD1 3.56Å; V602-F712 HydrophobicContact CG1-CE1 3.99Å; V602-F712 HydrophobicContact CG1-CG 4.45Å |
| 603 | Q | 94.1 | Very high | 94.3 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 28% | 0.276 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64 | -36 | 176.1 | -65.4 | -177.4 | -4.9 | 0 | 0 | 111.2 | V600 S601 K607 I709 D713 | V600-Q603 PolarHBondContact O-N 2.67Å; S601-Q603 PolarHBondContact O-N 2.96Å; Q603-K607 VanDerWaalsContact O-CG 3.25Å; Q603-K607 WeakPolarHBondContact O-CG 3.28Å; Q603-K607 PolarHBondContact O-N 2.86Å; Q603-I709 HydrophobicContact CG-CG2 4.26Å; Q603-D713 PolarHBondContact NE2-OD2 2.84Å |
| 604 | H | 95.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 54 Ų | 54 | 21% | 0.208 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 173.2 | 176.9 | 75.3 | 0 | 0 | 0 | 111.9 | P505 D568 V600 S601 V602 L606 K607 L608 | P505-H604 HydrophobicContact CG-CB 3.66Å; D568-H604 IonicContact OD2-NE2 3.52Å; V600-H604 PolarHBondContact O-N 2.91Å; S601-H604 WeakPolarHBondContact O-CB 3.29Å; S601-H604 PolarHBondContact O-N 2.89Å; S601-H604 VanDerWaalsContact O-N 3.17Å; V602-H604 VanDerWaalsContact C-N 3.27Å; V602-H604 PolarHBondContact O-N 2.91Å; H604-L606 PolarHBondContact O-N 3.48Å; H604-K607 WeakPolarHBondContact O-CB 3.16Å; H604-K607 PolarHBondContact O-N 2.87Å; H604-K607 VanDerWaalsContact O-N 3.13Å; H604-L608 PolarHBondContact O-N 2.82Å |
| 605 | T | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 177.9 | -50.9 | 0 | 0 | 0 | 0 | 112.2 | T552 D568 S601 V602 K607 L608 I609 L677 | T552-T605 HydrophobicContact CG2-CG2 4.45Å; D568-T605 PolarHBondContact O-OG1 2.79Å; S601-T605 PolarHBondContact O-N 3.04Å; S601-T605 PolarHBondContact O-OG1 3.48Å; S601-T605 VanDerWaalsContact O-OG1 3.07Å; V602-T605 PolarHBondContact O-N 2.84Å; T605-K607 VanDerWaalsContact C-N 3.28Å; T605-K607 PolarHBondContact O-N 3.21Å; T605-L608 WeakPolarHBondContact O-CB 3.24Å; T605-L608 PolarHBondContact O-N 3.31Å; T605-L608 VanDerWaalsContact O-N 3.1Å; T605-I609 HydrophobicContact CG2-CD1 4.01Å; T605-I609 WeakPolarHBondContact O-CG1 3.4Å; T605-I609 PolarHBondContact O-N 2.84Å; T605-L677 HydrophobicContact CG2-CD1 4.25Å; T605-L677 HydrophobicContact CG2-CD2 4Å |
| 606 | L | 94.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 175.1 | -71.3 | 175.4 | 0 | 0 | 0 | 112 | V602 H604 I609 H610 I674 L677 L708 I709 F712 | V602-L606 HydrophobicContact CG1-CD1 4.18Å; V602-L606 HydrophobicContact CG1-CG 4.49Å; V602-L606 WeakPolarHBondContact O-CB 3.48Å; V602-L606 WeakPolarHBondContact O-CG 3.41Å; V602-L606 PolarHBondContact O-N 2.91Å; H604-L606 PolarHBondContact O-N 3.48Å; L606-I609 PolarHBondContact O-N 3.35Å; L606-H610 WeakPolarHBondContact O-CB 3.26Å; L606-H610 PolarHBondContact O-N 2.77Å; L606-I674 HydrophobicContact CD2-CG2 4.49Å; L606-L677 HydrophobicContact CD2-CD2 4.01Å; L606-L677 HydrophobicContact CG-CD2 4.24Å; L606-L708 HydrophobicContact CD2-CD2 4.15Å; L606-I709 HydrophobicContact CD1-CG1 4.04Å; L606-F712 HydrophobicContact CD1-CB 4.41Å; L606-F712 HydrophobicContact CD1-CD1 4.23Å; L606-F712 HydrophobicContact CD1-CD2 4.06Å; L606-F712 HydrophobicContact CD1-CE1 4.49Å; L606-F712 HydrophobicContact CD1-CE2 4.34Å; L606-F712 HydrophobicContact CD1-CG 3.98Å; L606-F712 HydrophobicContact CD2-CE2 4.18Å; L606-F712 HydrophobicContact CD2-CZ 4.1Å |
| 607 | K | 95 | Very high | 93.4 | Very high | 120 Ų | 120 | 47.4 Ų | 47.4 | 52% | 0.522 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67 | -34 | 173.3 | -74.6 | 171.1 | -177 | 177.6 | 0 | 112.7 | Q603 H604 T605 P611 | Q603-K607 VanDerWaalsContact O-CG 3.25Å; Q603-K607 WeakPolarHBondContact O-CG 3.28Å; Q603-K607 PolarHBondContact O-N 2.86Å; H604-K607 WeakPolarHBondContact O-CB 3.16Å; H604-K607 PolarHBondContact O-N 2.87Å; H604-K607 VanDerWaalsContact O-N 3.13Å; T605-K607 VanDerWaalsContact C-N 3.28Å; T605-K607 PolarHBondContact O-N 3.21Å; K607-P611 WeakPolarHBondContact O-CD 3.49Å |
| 608 | L | 94.6 | Very high | 93.2 | Very high | 47 Ų | 47 | 49.2 Ų | 49.2 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.3 | -36.4 | 174.1 | -67.4 | 175.9 | 0 | 0 | 0 | 112.2 | T552 H604 T605 | T552-L608 HydrophobicContact CG2-CD1 3.93Å; H604-L608 PolarHBondContact O-N 2.82Å; T605-L608 WeakPolarHBondContact O-CB 3.24Å; T605-L608 PolarHBondContact O-N 3.31Å; T605-L608 VanDerWaalsContact O-N 3.1Å |
| 609 | I | 94.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.9 | -34 | 178.3 | -68.8 | 167.1 | 0 | 0 | 0 | 111.6 | L550 T605 L606 K612 L613 L670 I674 | L550-I609 HydrophobicContact CD2-CD1 4.29Å; L550-I609 HydrophobicContact CD2-CG1 3.72Å; T605-I609 HydrophobicContact CG2-CD1 4.01Å; T605-I609 WeakPolarHBondContact O-CG1 3.4Å; T605-I609 PolarHBondContact O-N 2.84Å; L606-I609 PolarHBondContact O-N 3.35Å; I609-K612 WeakPolarHBondContact O-CB 3.42Å; I609-K612 PolarHBondContact O-N 2.93Å; I609-L613 HydrophobicContact CG2-CD1 3.96Å; I609-L613 HydrophobicContact CG2-CG 4.01Å; I609-L613 PolarHBondContact O-N 3.12Å; I609-L670 HydrophobicContact CG2-CD2 4.11Å; I609-I674 HydrophobicContact CD1-CG1 4.03Å; I609-I674 HydrophobicContact CG2-CD1 3.83Å; I609-I674 HydrophobicContact CG2-CG1 4.09Å |
| 610 | H | 93.9 | Very high | 93.2 | Very high | 36 Ų | 36 | 42.7 Ų | 42.7 | 17% | 0.167 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -52.7 | -50.3 | -170.2 | 168.9 | 80.3 | 0 | 0 | 0 | 114.9 | L606 K612 L613 E614 Y703 Q705 | L606-H610 WeakPolarHBondContact O-CB 3.26Å; L606-H610 PolarHBondContact O-N 2.77Å; H610-K612 VanDerWaalsContact C-N 3.27Å; H610-K612 PolarHBondContact O-N 3.38Å; H610-L613 PolarHBondContact O-N 3.41Å; H610-E614 WeakPolarHBondContact O-CB 3.41Å; H610-E614 PolarHBondContact O-N 2.89Å; H610-Y703 VanDerWaalsContact CA-OH 3.3Å; H610-Y703 WeakPolarHBondContact CA-OH 3.48Å; H610-Y703 AromaticContact ND1-CE1 3.86Å; H610-Y703 AromaticContact ND1-CZ 3.58Å; H610-Y703 PolarHBondContact ND1-OH 3.13Å; H610-Y703 PolarHBondContact O-OH 3.41Å; H610-Q705 PolarHBondContact CE1-OE1 3.11Å |
| 611 | P | 94 | Very high | 93 | Very high | 72 Ų | 72 | 45 Ų | 45 | 47% | 0.468 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.7 | -34.5 | 178.8 | -23.5 | 33.5 | 0 | 0 | 0 | 113.1 | K607 Y615 | K607-P611 WeakPolarHBondContact O-CD 3.49Å; P611-Y615 VanDerWaalsContact O-CB 3.32Å; P611-Y615 WeakPolarHBondContact O-CB 3.49Å; P611-Y615 PolarHBondContact O-N 2.95Å |
| 612 | K | 92.2 | Very high | 92.9 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 29% | 0.287 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.2 | -44.6 | 179.6 | -58.2 | -177.2 | -163.6 | -120.2 | 0 | 110.1 | F549 D551 I609 H610 Q616 L670 | F549-K612 WeakPolarHBondContact O-CE 3.19Å; F549-K612 PolarHBondContact O-NZ 2.86Å; D551-K612 IonicContact OD2-NZ 3.85Å; D551-K612 PolarHBondContact OD2-NZ 3.4Å; D551-K612 VanDerWaalsContact OD2-NZ 3.12Å; I609-K612 WeakPolarHBondContact O-CB 3.42Å; I609-K612 PolarHBondContact O-N 2.93Å; H610-K612 VanDerWaalsContact C-N 3.27Å; H610-K612 PolarHBondContact O-N 3.38Å; K612-Q616 WeakPolarHBondContact O-CG 3.46Å; K612-Q616 PolarHBondContact O-N 3.41Å; K612-L670 HydrophobicContact CB-CD1 4.27Å; K612-L670 HydrophobicContact CB-CD2 4.27Å |
| 613 | L | 91.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -47.2 | 175.1 | -89.9 | -176.3 | 0 | 0 | 0 | 112.8 | I609 H610 Y615 Q616 L617 L670 Y671 I674 L700 Y703 | I609-L613 HydrophobicContact CG2-CD1 3.96Å; I609-L613 HydrophobicContact CG2-CG 4.01Å; I609-L613 PolarHBondContact O-N 3.12Å; H610-L613 PolarHBondContact O-N 3.41Å; L613-Y615 VanDerWaalsContact C-N 3.3Å; L613-Y615 PolarHBondContact O-N 2.94Å; L613-Q616 PolarHBondContact O-N 3.01Å; L613-L617 WeakPolarHBondContact O-CG 3.14Å; L613-L617 PolarHBondContact O-N 2.73Å; L613-L670 HydrophobicContact CD2-CB 3.67Å; L613-L670 HydrophobicContact CD2-CD1 3.73Å; L613-L670 HydrophobicContact CD2-CG 4.28Å; L613-L670 HydrophobicContact CG-CB 4.18Å; L613-L670 HydrophobicContact CG-CD1 4.04Å; L613-Y671 HydrophobicContact CD2-CD1 4.08Å; L613-Y671 HydrophobicContact CD2-CE1 3.85Å; L613-I674 HydrophobicContact CD1-CD1 3.35Å; L613-I674 HydrophobicContact CG-CD1 4.35Å; L613-L700 HydrophobicContact CD1-CD2 4.31Å; L613-Y703 HydrophobicContact CB-CE1 4.44Å; L613-Y703 HydrophobicContact CB-CE2 4.16Å; L613-Y703 HydrophobicContact CD1-CD2 4.16Å; L613-Y703 HydrophobicContact CD1-CE2 3.5Å; L613-Y703 VanDerWaalsContact CD1-CE2 3.5Å |
| 614 | E | 92.2 | Very high | 92.8 | Very high | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | 179.2 | -176.9 | -179.6 | -139.1 | 0 | 0 | 111 | H610 Q616 L617 L618 Y703 | H610-E614 WeakPolarHBondContact O-CB 3.41Å; H610-E614 PolarHBondContact O-N 2.89Å; E614-Q616 PolarHBondContact O-N 2.65Å; E614-L617 PolarHBondContact O-N 2.85Å; E614-L618 HydrophobicContact CG-CD1 3.85Å; E614-L618 HydrophobicContact CG-CG 4.34Å; E614-L618 WeakPolarHBondContact O-CB 3.2Å; E614-L618 WeakPolarHBondContact O-CG 3.21Å; E614-L618 PolarHBondContact O-N 3.45Å; E614-Y703 HydrophobicContact CB-CE1 4.48Å |
| 615 | Y | 92.3 | Very high | 92.7 | Very high | 103 Ų | 103 | 54 Ų | 54 | 40% | 0.404 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.2 | -49 | 175.3 | -176.1 | -95 | 0 | 0 | 0 | 112.3 | P611 L613 L617 L618 L619 E659 | P611-Y615 VanDerWaalsContact O-CB 3.32Å; P611-Y615 WeakPolarHBondContact O-CB 3.49Å; P611-Y615 PolarHBondContact O-N 2.95Å; L613-Y615 VanDerWaalsContact C-N 3.3Å; L613-Y615 PolarHBondContact O-N 2.94Å; Y615-L617 PolarHBondContact O-N 2.79Å; Y615-L618 PolarHBondContact O-N 3.16Å; Y615-L619 HydrophobicContact CE1-CD2 4.45Å; Y615-L619 WeakPolarHBondContact O-CB 3.45Å; Y615-L619 PolarHBondContact O-N 3.03Å; Y615-E659 PolarHBondContact OH-OE2 2.83Å |
| 616 | Q | 91.4 | Very high | 92.6 | Very high | 25 Ų | 25 | 54 Ų | 54 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 179.6 | -63.6 | -54.7 | -41.2 | 0 | 0 | 111.4 | K612 L613 E614 L619 A620 Q663 H666 L670 | K612-Q616 WeakPolarHBondContact O-CG 3.46Å; K612-Q616 PolarHBondContact O-N 3.41Å; L613-Q616 PolarHBondContact O-N 3.01Å; E614-Q616 PolarHBondContact O-N 2.65Å; Q616-L619 WeakPolarHBondContact O-CB 3.46Å; Q616-L619 PolarHBondContact O-N 2.79Å; Q616-A620 PolarHBondContact O-N 2.8Å; Q616-Q663 HydrophobicContact CB-CG 4.22Å; Q616-Q663 PolarHBondContact O-NE2 3.3Å; Q616-H666 HydrophobicContact CG-CB 4.44Å; Q616-L670 HydrophobicContact CG-CD1 4.15Å |
| 617 | L | 89.5 | Confident | 92.4 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 18% | 0.183 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 178.8 | -67.2 | 172.6 | 0 | 0 | 0 | 112.4 | L613 E614 Y615 A620 K621 L667 Y703 | L613-L617 WeakPolarHBondContact O-CG 3.14Å; L613-L617 PolarHBondContact O-N 2.73Å; E614-L617 PolarHBondContact O-N 2.85Å; Y615-L617 PolarHBondContact O-N 2.79Å; L617-A620 PolarHBondContact O-N 2.8Å; L617-K621 PolarHBondContact O-N 2.89Å; L617-L667 HydrophobicContact CD2-CD1 4.04Å; L617-Y703 VanDerWaalsContact CD1-CB 3.46Å; L617-Y703 HydrophobicContact CD1-CD1 3.47Å; L617-Y703 VanDerWaalsContact CD1-CD1 3.47Å; L617-Y703 HydrophobicContact CD1-CD2 4.38Å; L617-Y703 HydrophobicContact CD1-CE1 4.25Å; L617-Y703 HydrophobicContact CD1-CG 3.51Å |
| 618 | L | 90.4 | Very high | 92.3 | Very high | 80 Ų | 80 | 54.9 Ų | 54.9 | 42% | 0.419 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 174.2 | -75.1 | 172.3 | 0 | 0 | 0 | 111.9 | E614 Y615 A620 K621 K622 | E614-L618 HydrophobicContact CG-CD1 3.85Å; E614-L618 HydrophobicContact CG-CG 4.34Å; E614-L618 WeakPolarHBondContact O-CB 3.2Å; E614-L618 WeakPolarHBondContact O-CG 3.21Å; E614-L618 PolarHBondContact O-N 3.45Å; Y615-L618 PolarHBondContact O-N 3.16Å; L618-A620 VanDerWaalsContact C-N 3.34Å; L618-A620 PolarHBondContact O-N 3.15Å; L618-K621 PolarHBondContact O-N 3.16Å; L618-K622 WeakPolarHBondContact O-CG 3.02Å; L618-K622 PolarHBondContact O-N 3.41Å |
| 619 | L | 92.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 176.2 | 179.2 | 60.4 | 0 | 0 | 0 | 111.4 | Y615 Q616 K621 K622 V623 L656 E659 Y660 Q663 | Y615-L619 HydrophobicContact CE1-CD2 4.45Å; Y615-L619 WeakPolarHBondContact O-CB 3.45Å; Y615-L619 PolarHBondContact O-N 3.03Å; Q616-L619 WeakPolarHBondContact O-CB 3.46Å; Q616-L619 PolarHBondContact O-N 2.79Å; L619-K621 PolarHBondContact O-N 2.96Å; L619-K622 PolarHBondContact O-N 2.91Å; L619-V623 HydrophobicContact CD1-CG2 4.04Å; L619-V623 WeakPolarHBondContact O-CG2 3.28Å; L619-V623 PolarHBondContact O-N 3.36Å; L619-L656 HydrophobicContact CD1-CB 4.09Å; L619-L656 HydrophobicContact CD1-CD2 3.56Å; L619-L656 HydrophobicContact CD1-CG 4.44Å; L619-E659 HydrophobicContact CD1-CB 4.41Å; L619-E659 HydrophobicContact CD2-CB 3.8Å; L619-Y660 HydrophobicContact CG-CD2 4.42Å; L619-Q663 HydrophobicContact CD2-CB 4.05Å; L619-Q663 HydrophobicContact CD2-CG 4.14Å |
| 620 | A | 90.5 | Very high | 91.9 | Very high | 16 Ų | 16 | 55.8 Ų | 55.8 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.5 | -48.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q616 L617 L618 K622 V623 Q624 Y660 | Q616-A620 PolarHBondContact O-N 2.8Å; L617-A620 PolarHBondContact O-N 2.8Å; L618-A620 VanDerWaalsContact C-N 3.34Å; L618-A620 PolarHBondContact O-N 3.15Å; A620-K622 PolarHBondContact O-N 3.35Å; A620-V623 PolarHBondContact O-N 2.88Å; A620-Q624 VanDerWaalsContact O-CG 3.31Å; A620-Q624 WeakPolarHBondContact O-CG 3.33Å; A620-Q624 PolarHBondContact O-N 2.96Å; A620-Y660 HydrophobicContact CB-CE2 3.95Å |
| 621 | K | 90.4 | Very high | 91.7 | Very high | 132 Ų | 132 | 59.9 Ų | 59.9 | 57% | 0.574 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | -179.6 | -69.7 | 176.7 | -178.5 | 175.6 | 0 | 112 | L617 L618 L619 L625 | L617-K621 PolarHBondContact O-N 2.89Å; L618-K621 PolarHBondContact O-N 3.16Å; L619-K621 PolarHBondContact O-N 2.96Å; K621-L625 WeakPolarHBondContact O-CG 3.09Å |
| 622 | K | 92.6 | Very high | 91.5 | Very high | 71 Ų | 71 | 59.8 Ų | 59.8 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 177.4 | -71.8 | -178.8 | 176.2 | -174.4 | 0 | 111.4 | L618 L619 A620 Q624 L625 I626 I649 L656 | L618-K622 WeakPolarHBondContact O-CG 3.02Å; L618-K622 PolarHBondContact O-N 3.41Å; L619-K622 PolarHBondContact O-N 2.91Å; A620-K622 PolarHBondContact O-N 3.35Å; K622-Q624 VanDerWaalsContact C-N 3.34Å; K622-Q624 PolarHBondContact O-N 2.75Å; K622-L625 WeakPolarHBondContact O-CB 3.17Å; K622-L625 PolarHBondContact O-N 3.37Å; K622-I626 PolarHBondContact O-N 2.92Å; K622-I649 HydrophobicContact CB-CD1 4.26Å; K622-I649 HydrophobicContact CB-CG1 4.44Å; K622-I649 HydrophobicContact CD-CG1 4.31Å; K622-I649 HydrophobicContact CG-CD1 3.91Å; K622-I649 HydrophobicContact CG-CG1 4.14Å; K622-L656 HydrophobicContact CB-CD1 4.24Å; K622-L656 HydrophobicContact CD-CD1 4.2Å; K622-L656 HydrophobicContact CD-CD2 4.23Å |
| 623 | V | 92.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.9 | -35.6 | -176.9 | 174.5 | 0 | 0 | 0 | 0 | 112 | L619 A620 L625 I626 L656 Y660 | L619-V623 HydrophobicContact CD1-CG2 4.04Å; L619-V623 WeakPolarHBondContact O-CG2 3.28Å; L619-V623 PolarHBondContact O-N 3.36Å; A620-V623 PolarHBondContact O-N 2.88Å; V623-L625 PolarHBondContact O-N 2.75Å; V623-L625 VanDerWaalsContact O-N 3.17Å; V623-I626 HydrophobicContact CB-CD1 4.32Å; V623-I626 HydrophobicContact CG1-CD1 4.48Å; V623-I626 HydrophobicContact CG2-CD1 4.09Å; V623-I626 PolarHBondContact O-N 3.4Å; V623-I626 VanDerWaalsContact O-N 3.14Å; V623-L656 HydrophobicContact CG2-CB 4.14Å; V623-Y660 HydrophobicContact CB-CD1 4.49Å; V623-Y660 HydrophobicContact CB-CD2 4.16Å; V623-Y660 HydrophobicContact CB-CG 4.11Å; V623-Y660 HydrophobicContact CG1-CD1 3.77Å; V623-Y660 HydrophobicContact CG1-CD2 4.32Å; V623-Y660 HydrophobicContact CG1-CE1 4.19Å; V623-Y660 HydrophobicContact CG1-CG 3.84Å; V623-Y660 HydrophobicContact CG2-CD2 4.05Å; V623-Y660 HydrophobicContact CG2-CG 3.92Å |
| 624 | Q | 92.8 | Very high | 91 | Very high | 143 Ų | 143 | 66.9 Ų | 66.9 | 67% | 0.668 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.5 | -25.8 | 172.7 | -74.9 | 174.3 | 5.3 | 0 | 0 | 113.4 | A620 K622 | A620-Q624 VanDerWaalsContact O-CG 3.31Å; A620-Q624 WeakPolarHBondContact O-CG 3.33Å; A620-Q624 PolarHBondContact O-N 2.96Å; K622-Q624 VanDerWaalsContact C-N 3.34Å; K622-Q624 PolarHBondContact O-N 2.75Å |
| 625 | L | 93.8 | Very high | 90.7 | Very high | 66 Ų | 66 | 70 Ų | 70 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -89.6 | -19.3 | 179.2 | -60.6 | 174.8 | 0 | 0 | 0 | 113.3 | K621 K622 V623 D627 A628 L629 Y646 I649 | K621-L625 WeakPolarHBondContact O-CG 3.09Å; K622-L625 WeakPolarHBondContact O-CB 3.17Å; K622-L625 PolarHBondContact O-N 3.37Å; V623-L625 PolarHBondContact O-N 2.75Å; V623-L625 VanDerWaalsContact O-N 3.17Å; L625-D627 PolarHBondContact O-N 3.43Å; L625-A628 PolarHBondContact O-N 2.89Å; L625-L629 HydrophobicContact CB-CD1 4.06Å; L625-L629 HydrophobicContact CB-CG 4.45Å; L625-L629 WeakPolarHBondContact O-CB 3.47Å; L625-L629 VanDerWaalsContact O-CG 3.23Å; L625-L629 WeakPolarHBondContact O-CG 3.43Å; L625-L629 PolarHBondContact O-N 2.68Å; L625-Y646 HydrophobicContact CD1-CE1 3.89Å; L625-I649 HydrophobicContact CD1-CD1 4.44Å |
| 626 | I | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.5 | -48.5 | -171.7 | -72.5 | 174.2 | 0 | 0 | 0 | 111.5 | K622 V623 A628 L629 K630 I649 A653 L656 | K622-I626 PolarHBondContact O-N 2.92Å; V623-I626 HydrophobicContact CB-CD1 4.32Å; V623-I626 HydrophobicContact CG1-CD1 4.48Å; V623-I626 HydrophobicContact CG2-CD1 4.09Å; V623-I626 PolarHBondContact O-N 3.4Å; V623-I626 VanDerWaalsContact O-N 3.14Å; I626-A628 PolarHBondContact O-N 3.21Å; I626-L629 PolarHBondContact O-N 3.09Å; I626-K630 HydrophobicContact CG2-CD 3.87Å; I626-K630 HydrophobicContact CG2-CG 4.25Å; I626-K630 WeakPolarHBondContact O-CB 3.43Å; I626-K630 WeakPolarHBondContact O-CG 3.39Å; I626-K630 PolarHBondContact O-N 3.36Å; I626-I649 HydrophobicContact CG1-CG2 3.78Å; I626-A653 HydrophobicContact CD1-CB 4.16Å; I626-A653 HydrophobicContact CG1-CB 4.33Å; I626-A653 HydrophobicContact CG2-CB 3.92Å; I626-L656 HydrophobicContact CD1-CB 4Å; I626-L656 HydrophobicContact CD1-CD1 4.4Å |
| 627 | D | 91.3 | Very high | 89 | Confident | 96 Ų | 96 | 72.8 Ų | 72.8 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | -175.2 | -66.9 | -21.2 | 0 | 0 | 0 | 111.1 | L625 L629 K630 E631 | L625-D627 PolarHBondContact O-N 3.43Å; D627-L629 VanDerWaalsContact C-N 3.34Å; D627-L629 PolarHBondContact O-N 3.22Å; D627-K630 PolarHBondContact O-N 3.29Å; D627-E631 WeakPolarHBondContact O-CG 3.35Å; D627-E631 PolarHBondContact O-N 2.89Å |
| 628 | A | 92 | Very high | 88.1 | Confident | 51 Ų | 51 | 75.1 Ų | 75.1 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L625 I626 L632 | L625-A628 PolarHBondContact O-N 2.89Å; I626-A628 PolarHBondContact O-N 3.21Å; A628-L632 WeakPolarHBondContact O-CG 3.47Å; A628-L632 PolarHBondContact O-N 2.86Å; A628-L632 VanDerWaalsContact O-N 3.09Å |
| 629 | L | 90.1 | Very high | 87.3 | Confident | 9 Ų | 9 | 73.3 Ų | 73.3 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 176.9 | -69.6 | 174.3 | 0 | 0 | 0 | 111.9 | L625 I626 D627 L632 Q633 L642 Y646 I649 L650 | L625-L629 HydrophobicContact CB-CD1 4.06Å; L625-L629 HydrophobicContact CB-CG 4.45Å; L625-L629 WeakPolarHBondContact O-CB 3.47Å; L625-L629 VanDerWaalsContact O-CG 3.23Å; L625-L629 WeakPolarHBondContact O-CG 3.43Å; L625-L629 PolarHBondContact O-N 2.68Å; I626-L629 PolarHBondContact O-N 3.09Å; D627-L629 VanDerWaalsContact C-N 3.34Å; D627-L629 PolarHBondContact O-N 3.22Å; L629-L632 HydrophobicContact CD2-CD1 4.48Å; L629-L632 PolarHBondContact O-N 3.31Å; L629-Q633 WeakPolarHBondContact O-CB 3.4Å; L629-Q633 PolarHBondContact O-N 3.34Å; L629-L642 HydrophobicContact CD2-CD1 4.43Å; L629-L642 HydrophobicContact CD2-CD2 3.9Å; L629-Y646 HydrophobicContact CD1-CD1 4.37Å; L629-Y646 HydrophobicContact CD1-CG 4.15Å; L629-Y646 HydrophobicContact CD2-CD2 3.93Å; L629-Y646 HydrophobicContact CD2-CG 3.98Å; L629-I649 HydrophobicContact CD1-CB 4.28Å; L629-I649 HydrophobicContact CD1-CG2 4.06Å; L629-L650 HydrophobicContact CB-CD1 3.99Å; L629-L650 HydrophobicContact CB-CD2 3.64Å; L629-L650 HydrophobicContact CB-CG 3.76Å; L629-L650 HydrophobicContact CD1-CG 4.4Å |
| 630 | K | 90.3 | Very high | 86.7 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 27% | 0.265 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 175.4 | -79.7 | -177.3 | 173.7 | 177 | 0 | 110.6 | I626 D627 Q633 I634 L650 D654 | I626-K630 HydrophobicContact CG2-CD 3.87Å; I626-K630 HydrophobicContact CG2-CG 4.25Å; I626-K630 WeakPolarHBondContact O-CB 3.43Å; I626-K630 WeakPolarHBondContact O-CG 3.39Å; I626-K630 PolarHBondContact O-N 3.36Å; D627-K630 PolarHBondContact O-N 3.29Å; K630-Q633 PolarHBondContact O-N 2.92Å; K630-I634 WeakPolarHBondContact O-CD1 3.41Å; K630-I634 VanDerWaalsContact O-CG1 3.26Å; K630-I634 WeakPolarHBondContact O-CG1 3.47Å; K630-I634 PolarHBondContact O-N 3.05Å; K630-L650 HydrophobicContact CG-CD2 3.78Å; K630-D654 IonicContact NZ-OD1 3.73Å; K630-D654 PolarHBondContact NZ-OD1 2.92Å |
| 631 | E | 90.6 | Very high | 86.3 | Confident | 123 Ų | 123 | 81.8 Ų | 81.8 | 58% | 0.575 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59 | -49 | 173.1 | -75 | -178.5 | 177.9 | 0 | 0 | 111.8 | D627 Q633 I634 H635 | D627-E631 WeakPolarHBondContact O-CG 3.35Å; D627-E631 PolarHBondContact O-N 2.89Å; E631-Q633 VanDerWaalsContact C-N 3.32Å; E631-Q633 PolarHBondContact O-N 3.21Å; E631-I634 PolarHBondContact O-N 3.3Å; E631-H635 PolarHBondContact O-CD2 3.04Å; E631-H635 PolarHBondContact O-N 3.05Å; E631-H635 VanDerWaalsContact O-N 3.07Å |
| 632 | L | 88.4 | Confident | 86.1 | Confident | 70 Ų | 70 | 76 Ų | 76 | 37% | 0.366 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 176.8 | -77.2 | 166.4 | 0 | 0 | 0 | 112.6 | A628 L629 H635 E636 F641 | A628-L632 WeakPolarHBondContact O-CG 3.47Å; A628-L632 PolarHBondContact O-N 2.86Å; A628-L632 VanDerWaalsContact O-N 3.09Å; L629-L632 HydrophobicContact CD2-CD1 4.48Å; L629-L632 PolarHBondContact O-N 3.31Å; L632-H635 PolarHBondContact O-N 3.13Å; L632-E636 PolarHBondContact O-N 2.72Å; L632-F641 HydrophobicContact CB-CE2 4.44Å; L632-F641 HydrophobicContact CB-CZ 4.11Å; L632-F641 HydrophobicContact CD2-CE2 4.48Å |
| 633 | Q | 86.3 | Confident | 86.1 | Confident | 76 Ų | 76 | 76.8 Ų | 76.8 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 177 | -174.1 | -178.9 | 16.5 | 0 | 0 | 112.1 | L629 K630 E631 H635 G637 M639 L650 | L629-Q633 WeakPolarHBondContact O-CB 3.4Å; L629-Q633 PolarHBondContact O-N 3.34Å; K630-Q633 PolarHBondContact O-N 2.92Å; E631-Q633 VanDerWaalsContact C-N 3.32Å; E631-Q633 PolarHBondContact O-N 3.21Å; Q633-H635 VanDerWaalsContact C-N 3.34Å; Q633-G637 PolarHBondContact O-N 2.56Å; Q633-M639 HydrophobicContact CG-CG 4.44Å; Q633-L650 HydrophobicContact CB-CD1 4.41Å |
| 634 | I | 88.4 | Confident | 85.9 | Confident | 139 Ų | 139 | 80.6 Ų | 80.6 | 71% | 0.713 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.3 | -39.3 | 178 | -68.1 | 163.6 | 0 | 0 | 0 | 110.8 | K630 E631 | K630-I634 WeakPolarHBondContact O-CD1 3.41Å; K630-I634 VanDerWaalsContact O-CG1 3.26Å; K630-I634 WeakPolarHBondContact O-CG1 3.47Å; K630-I634 PolarHBondContact O-N 3.05Å; E631-I634 PolarHBondContact O-N 3.3Å |
| 635 | H | 84.3 | Confident | 85.8 | Confident | 157 Ų | 157 | 79.8 Ų | 79.8 | 73% | 0.727 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -75.1 | -43.3 | -177.5 | -77.6 | -62.2 | 0 | 0 | 0 | 114 | E631 L632 Q633 | E631-H635 PolarHBondContact O-CD2 3.04Å; E631-H635 PolarHBondContact O-N 3.05Å; E631-H635 VanDerWaalsContact O-N 3.07Å; L632-H635 PolarHBondContact O-N 3.13Å; Q633-H635 VanDerWaalsContact C-N 3.34Å |
| 636 | E | 80.3 | Confident | 85.6 | Confident | 116 Ų | 116 | 80.6 Ų | 80.6 | 54% | 0.542 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -97.8 | -13.9 | -171.9 | -65 | -151.9 | -171.6 | 0 | 0 | 114 | L632 N638 F641 | L632-E636 PolarHBondContact O-N 2.72Å; E636-N638 PolarHBondContact O-N 2.9Å; E636-F641 HydrophobicContact CB-CD1 4.24Å; E636-F641 HydrophobicContact CB-CE1 3.53Å; E636-F641 HydrophobicContact CB-CZ 4.07Å; E636-F641 HydrophobicContact CG-CE1 4.02Å; E636-F641 HydrophobicContact CG-CZ 4.17Å; E636-F641 WeakPolarHBondContact OE2-CD1 3.43Å; E636-F641 WeakPolarHBondContact OE2-CE1 3.31Å |
| 637 | G | 69.1 | Low | 85.4 | Confident | 70 Ų | 70 | 83.9 Ų | 83.9 | 72% | 0.722 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 66.3 | -14 | 174 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q633 | Q633-G637 PolarHBondContact O-N 2.56Š|
| 638 | N | 69.6 | Low | 85.4 | Confident | 83 Ų | 83 | 82.3 Ų | 82.3 | 44% | 0.444 | 43% | 0.432 | S | S | . | . | trans | -132.7 | 130 | 179.4 | -175.5 | -8.1 | 0 | 0 | 0 | 110.8 | E636 N640 F641 | E636-N638 PolarHBondContact O-N 2.9Å; N638-N640 VanDerWaalsContact C-N 3.25Å; N638-N640 PolarHBondContact ND2-ND2 2.96Å; N638-N640 PolarHBondContact O-N 3.28Å; N638-N640 WeakPolarHBondContact OD1-CB 3.22Å; N638-N640 PolarHBondContact OD1-N 2.83Å; N638-N640 PolarHBondContact OD1-ND2 3.37Å; N638-N640 PolarHBondContact OD1-OD1 3.09Å; N638-F641 WeakPolarHBondContact O-CD1 3.4Å; N638-F641 WeakPolarHBondContact O-CE1 3.23Å | ||
| 639 | M | 73.9 | Confident | 85.3 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 21% | 0.207 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -80.3 | 0.9 | -177.1 | -60.2 | 172.2 | 75.2 | 0 | 0 | 114.1 | Q633 F641 L642 R647 L650 | Q633-M639 HydrophobicContact CG-CG 4.44Å; M639-F641 PolarHBondContact O-N 2.83Å; M639-F641 VanDerWaalsContact O-N 3.13Å; M639-L642 PolarHBondContact O-N 3.12Å; M639-R647 HydrophobicContact CB-CG 4.37Å; M639-R647 HydrophobicContact CE-CB 3.94Å; M639-R647 HydrophobicContact CE-CG 4.05Å; M639-R647 PolarHBondContact O-NE 2.96Å; M639-R647 PolarHBondContact O-NH2 2.75Å; M639-L650 HydrophobicContact CE-CB 3.81Å; M639-L650 HydrophobicContact CE-CD1 3.71Å; M639-L650 HydrophobicContact CE-CG 4.43Å |
| 640 | N | 79.2 | Confident | 85.3 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 61% | 0.61 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -62.4 | -20.6 | -173 | -73.7 | -12.2 | 0 | 0 | 0 | 115.2 | N638 R647 | N638-N640 VanDerWaalsContact C-N 3.25Å; N638-N640 PolarHBondContact ND2-ND2 2.96Å; N638-N640 PolarHBondContact O-N 3.28Å; N638-N640 WeakPolarHBondContact OD1-CB 3.22Å; N638-N640 PolarHBondContact OD1-N 2.83Å; N638-N640 PolarHBondContact OD1-ND2 3.37Å; N638-N640 PolarHBondContact OD1-OD1 3.09Å; N640-R647 VanDerWaalsContact CA-NH2 3.3Å; N640-R647 PolarHBondContact O-NH2 3.36Å |
| 641 | F | 83.8 | Confident | 85.3 | Confident | 86 Ų | 86 | 84.5 Ų | 84.5 | 38% | 0.377 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -83.8 | -21.1 | 176.2 | 69.9 | -86.1 | 0 | 0 | 0 | 113.3 | L632 E636 N638 M639 | L632-F641 HydrophobicContact CB-CE2 4.44Å; L632-F641 HydrophobicContact CB-CZ 4.11Å; L632-F641 HydrophobicContact CD2-CE2 4.48Å; E636-F641 HydrophobicContact CB-CD1 4.24Å; E636-F641 HydrophobicContact CB-CE1 3.53Å; E636-F641 HydrophobicContact CB-CZ 4.07Å; E636-F641 HydrophobicContact CG-CE1 4.02Å; E636-F641 HydrophobicContact CG-CZ 4.17Å; E636-F641 WeakPolarHBondContact OE2-CD1 3.43Å; E636-F641 WeakPolarHBondContact OE2-CE1 3.31Å; N638-F641 WeakPolarHBondContact O-CD1 3.4Å; N638-F641 WeakPolarHBondContact O-CE1 3.23Å; M639-F641 PolarHBondContact O-N 2.83Å; M639-F641 VanDerWaalsContact O-N 3.13Å |
| 642 | L | 86.2 | Confident | 85.4 | Confident | 11 Ų | 11 | 83.3 Ų | 83.3 | 6% | 0.058 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -76.8 | 142.6 | 177.9 | -67.6 | 174.7 | 0 | 0 | 0 | 110.4 | L629 M639 Y646 R647 L650 | L629-L642 HydrophobicContact CD2-CD1 4.43Å; L629-L642 HydrophobicContact CD2-CD2 3.9Å; M639-L642 PolarHBondContact O-N 3.12Å; L642-Y646 HydrophobicContact CD2-CD2 4.45Å; L642-R647 HydrophobicContact CB-CG 3.95Å; L642-R647 VanDerWaalsContact O-CZ 3.22Å; L642-R647 PolarHBondContact O-NE 3.37Å; L642-R647 PolarHBondContact O-NH2 3.46Å; L642-L650 HydrophobicContact CD1-CD1 3.55Å |
| 643 | I | 91.8 | Very high | 85.5 | Confident | 86 Ų | 86 | 80.1 Ų | 80.1 | 44% | 0.441 | 41% | 0.413 | S | S | . | . | trans | -65.7 | 152.2 | 170.1 | 59.6 | 171 | 0 | 0 | 0 | 110.6 | E645 Y646 R647 | I643-E645 HydrophobicContact CD1-CB 4.26Å; I643-E645 HydrophobicContact CG1-CB 4.46Å; I643-E645 PolarHBondContact O-N 2.96Å; I643-E645 VanDerWaalsContact O-N 3.14Å; I643-Y646 HydrophobicContact CD1-CD1 4.36Å; I643-Y646 HydrophobicContact CD1-CD2 4.04Å; I643-Y646 HydrophobicContact CD1-CE1 4.32Å; I643-Y646 HydrophobicContact CD1-CE2 4Å; I643-Y646 HydrophobicContact CD1-CG 4.23Å; I643-Y646 HydrophobicContact CG1-CD1 4.4Å; I643-Y646 HydrophobicContact CG1-CD2 3.67Å; I643-Y646 HydrophobicContact CG1-CE2 4.12Å; I643-Y646 HydrophobicContact CG1-CG 3.83Å; I643-Y646 PolarHBondContact O-N 2.94Å; I643-Y646 VanDerWaalsContact O-N 3.12Å; I643-R647 PolarHBondContact O-N 2.91Å | ||
| 644 | P | 89.6 | Confident | 85.7 | Confident | 94 Ų | 94 | 82.3 Ų | 82.3 | 61% | 0.61 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -54 | -36.3 | -176.3 | -27.8 | 35.3 | 0 | 0 | 0 | 114.4 | Y646 R647 C648 | P644-Y646 PolarHBondContact O-N 2.92Å; P644-R647 WeakPolarHBondContact O-CB 3.36Å; P644-R647 PolarHBondContact O-N 2.76Å; P644-C648 PolarHBondContact O-N 2.93Å; P644-C648 PolarHBondContact O-SG 3.35Å |
| 645 | E | 89.4 | Confident | 85.8 | Confident | 126 Ų | 126 | 80.5 Ų | 80.5 | 59% | 0.589 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.6 | -46.4 | 178.3 | -176.1 | 176.7 | -175.6 | 0 | 0 | 112.5 | I643 R647 C648 I649 | I643-E645 HydrophobicContact CD1-CB 4.26Å; I643-E645 HydrophobicContact CG1-CB 4.46Å; I643-E645 PolarHBondContact O-N 2.96Å; I643-E645 VanDerWaalsContact O-N 3.14Å; E645-R647 VanDerWaalsContact C-N 3.33Å; E645-R647 PolarHBondContact O-N 2.79Å; E645-C648 WeakPolarHBondContact O-CB 3.41Å; E645-C648 PolarHBondContact O-N 2.77Å; E645-I649 WeakPolarHBondContact O-CG1 3.48Å; E645-I649 PolarHBondContact O-N 2.97Å; E645-I649 VanDerWaalsContact O-N 3.12Å |
| 646 | Y | 90.9 | Very high | 86.2 | Confident | 83 Ų | 83 | 73.2 Ų | 73.2 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.3 | -27.9 | 178.3 | -66 | -14.7 | 0 | 0 | 0 | 112.8 | L625 L629 L642 I643 P644 I649 L650 | L625-Y646 HydrophobicContact CD1-CE1 3.89Å; L629-Y646 HydrophobicContact CD1-CD1 4.37Å; L629-Y646 HydrophobicContact CD1-CG 4.15Å; L629-Y646 HydrophobicContact CD2-CD2 3.93Å; L629-Y646 HydrophobicContact CD2-CG 3.98Å; L642-Y646 HydrophobicContact CD2-CD2 4.45Å; I643-Y646 HydrophobicContact CD1-CD1 4.36Å; I643-Y646 HydrophobicContact CD1-CD2 4.04Å; I643-Y646 HydrophobicContact CD1-CE1 4.32Å; I643-Y646 HydrophobicContact CD1-CE2 4Å; I643-Y646 HydrophobicContact CD1-CG 4.23Å; I643-Y646 HydrophobicContact CG1-CD1 4.4Å; I643-Y646 HydrophobicContact CG1-CD2 3.67Å; I643-Y646 HydrophobicContact CG1-CE2 4.12Å; I643-Y646 HydrophobicContact CG1-CG 3.83Å; I643-Y646 PolarHBondContact O-N 2.94Å; I643-Y646 VanDerWaalsContact O-N 3.12Å; P644-Y646 PolarHBondContact O-N 2.92Å; Y646-I649 HydrophobicContact CD1-CD1 4.09Å; Y646-I649 PolarHBondContact O-N 2.66Å; Y646-L650 PolarHBondContact O-N 2.93Å |
| 647 | R | 88.4 | Confident | 86.7 | Confident | 69 Ų | 69 | 71 Ų | 71 | 26% | 0.26 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 171.1 | -59.6 | -174.1 | -163 | 172.4 | 5.3 | 111 | M639 N640 L642 I643 P644 E645 I649 L650 E651 | M639-R647 HydrophobicContact CB-CG 4.37Å; M639-R647 HydrophobicContact CE-CB 3.94Å; M639-R647 HydrophobicContact CE-CG 4.05Å; M639-R647 PolarHBondContact O-NE 2.96Å; M639-R647 PolarHBondContact O-NH2 2.75Å; N640-R647 VanDerWaalsContact CA-NH2 3.3Å; N640-R647 PolarHBondContact O-NH2 3.36Å; L642-R647 HydrophobicContact CB-CG 3.95Å; L642-R647 VanDerWaalsContact O-CZ 3.22Å; L642-R647 PolarHBondContact O-NE 3.37Å; L642-R647 PolarHBondContact O-NH2 3.46Å; I643-R647 PolarHBondContact O-N 2.91Å; P644-R647 WeakPolarHBondContact O-CB 3.36Å; P644-R647 PolarHBondContact O-N 2.76Å; E645-R647 VanDerWaalsContact C-N 3.33Å; E645-R647 PolarHBondContact O-N 2.79Å; R647-I649 VanDerWaalsContact C-N 3.31Å; R647-I649 PolarHBondContact O-N 3.32Å; R647-L650 WeakPolarHBondContact O-CB 3.28Å; R647-L650 PolarHBondContact O-N 2.89Å; R647-L650 VanDerWaalsContact O-N 3.12Å; R647-E651 WeakPolarHBondContact O-CG 3.24Å; R647-E651 PolarHBondContact O-N 3.45Å |
| 648 | C | 90.1 | Very high | 87.6 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 42% | 0.419 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | P644 E645 L650 E651 E652 | P644-C648 PolarHBondContact O-N 2.93Å; P644-C648 PolarHBondContact O-SG 3.35Å; E645-C648 WeakPolarHBondContact O-CB 3.41Å; E645-C648 PolarHBondContact O-N 2.77Å; C648-L650 VanDerWaalsContact C-N 3.31Å; C648-L650 PolarHBondContact O-N 2.91Å; C648-E651 PolarHBondContact O-N 3.48Å; C648-E652 PolarHBondContact O-N 2.86Å |
| 649 | I | 91.7 | Very high | 88.5 | Confident | 6 Ų | 6 | 70.9 Ų | 70.9 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 175.6 | -65.6 | 172.7 | 0 | 0 | 0 | 111.5 | K622 L625 I626 L629 E645 Y646 R647 E652 A653 L656 | K622-I649 HydrophobicContact CB-CD1 4.26Å; K622-I649 HydrophobicContact CB-CG1 4.44Å; K622-I649 HydrophobicContact CD-CG1 4.31Å; K622-I649 HydrophobicContact CG-CD1 3.91Å; K622-I649 HydrophobicContact CG-CG1 4.14Å; L625-I649 HydrophobicContact CD1-CD1 4.44Å; I626-I649 HydrophobicContact CG1-CG2 3.78Å; L629-I649 HydrophobicContact CD1-CB 4.28Å; L629-I649 HydrophobicContact CD1-CG2 4.06Å; E645-I649 WeakPolarHBondContact O-CG1 3.48Å; E645-I649 PolarHBondContact O-N 2.97Å; E645-I649 VanDerWaalsContact O-N 3.12Å; Y646-I649 HydrophobicContact CD1-CD1 4.09Å; Y646-I649 PolarHBondContact O-N 2.66Å; R647-I649 VanDerWaalsContact C-N 3.31Å; R647-I649 PolarHBondContact O-N 3.32Å; I649-E652 CarbonylContact O-C 3.55Å; I649-A653 VanDerWaalsContact O-CA 3.29Å; I649-A653 WeakPolarHBondContact O-CA 3.37Å; I649-A653 WeakPolarHBondContact O-CB 3.28Å; I649-A653 PolarHBondContact O-N 2.85Å; I649-L656 HydrophobicContact CG2-CD1 4.16Å |
| 650 | L | 88.7 | Confident | 89.3 | Confident | 15 Ų | 15 | 72.8 Ų | 72.8 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 177 | -82.5 | 174.4 | 0 | 0 | 0 | 112.7 | L629 K630 Q633 M639 L642 Y646 R647 C648 E652 A653 | L629-L650 HydrophobicContact CB-CD1 3.99Å; L629-L650 HydrophobicContact CB-CD2 3.64Å; L629-L650 HydrophobicContact CB-CG 3.76Å; L629-L650 HydrophobicContact CD1-CG 4.4Å; K630-L650 HydrophobicContact CG-CD2 3.78Å; Q633-L650 HydrophobicContact CB-CD1 4.41Å; M639-L650 HydrophobicContact CE-CB 3.81Å; M639-L650 HydrophobicContact CE-CD1 3.71Å; M639-L650 HydrophobicContact CE-CG 4.43Å; L642-L650 HydrophobicContact CD1-CD1 3.55Å; Y646-L650 PolarHBondContact O-N 2.93Å; R647-L650 WeakPolarHBondContact O-CB 3.28Å; R647-L650 PolarHBondContact O-N 2.89Å; R647-L650 VanDerWaalsContact O-N 3.12Å; C648-L650 VanDerWaalsContact C-N 3.31Å; C648-L650 PolarHBondContact O-N 2.91Å; L650-E652 VanDerWaalsContact C-N 3.31Å; L650-E652 PolarHBondContact O-N 2.93Å; L650-A653 WeakPolarHBondContact O-CB 3.36Å; L650-A653 PolarHBondContact O-N 3.5Å |
| 651 | E | 90 | Very high | 89.7 | Confident | 146 Ų | 146 | 75.2 Ų | 75.2 | 68% | 0.682 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 176.8 | -72.6 | 168.7 | -166.5 | 0 | 0 | 111.7 | R647 C648 | R647-E651 WeakPolarHBondContact O-CG 3.24Å; R647-E651 PolarHBondContact O-N 3.45Å; C648-E651 PolarHBondContact O-N 3.48Å |
| 652 | E | 92.3 | Very high | 89.8 | Confident | 99 Ų | 99 | 76.3 Ų | 76.3 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 8.7 | 179.6 | -64 | -178.4 | 172.2 | 0 | 0 | 113.9 | C648 I649 L650 D654 H655 L656 | C648-E652 PolarHBondContact O-N 2.86Å; I649-E652 CarbonylContact O-C 3.55Å; L650-E652 VanDerWaalsContact C-N 3.31Å; L650-E652 PolarHBondContact O-N 2.93Å; E652-D654 VanDerWaalsContact C-N 3.32Å; E652-D654 PolarHBondContact O-N 2.95Å; E652-H655 PolarHBondContact O-N 3.21Å; E652-H655 VanDerWaalsContact O-N 3.1Å; E652-L656 HydrophobicContact CB-CD1 4.16Å; E652-L656 HydrophobicContact CB-CG 4.2Å; E652-L656 WeakPolarHBondContact O-CG 3.39Å; E652-L656 PolarHBondContact O-N 3.26Å |
| 653 | A | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 2% | 0.017 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.8 | -43.9 | -167 | 0 | 0 | 0 | 0 | 0 | 113.4 | I626 I649 L650 L656 Q657 | I626-A653 HydrophobicContact CD1-CB 4.16Å; I626-A653 HydrophobicContact CG1-CB 4.33Å; I626-A653 HydrophobicContact CG2-CB 3.92Å; I649-A653 VanDerWaalsContact O-CA 3.29Å; I649-A653 WeakPolarHBondContact O-CA 3.37Å; I649-A653 WeakPolarHBondContact O-CB 3.28Å; I649-A653 PolarHBondContact O-N 2.85Å; L650-A653 WeakPolarHBondContact O-CB 3.36Å; L650-A653 PolarHBondContact O-N 3.5Å; A653-L656 PolarHBondContact O-N 3.45Å; A653-Q657 VanDerWaalsContact O-CB 3.28Å; A653-Q657 WeakPolarHBondContact O-CB 3.22Å; A653-Q657 PolarHBondContact O-N 2.94Å |
| 654 | D | 90.9 | Very high | 89.7 | Confident | 123 Ų | 123 | 75.7 Ų | 75.7 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.6 | -38.6 | -177.3 | -63.3 | -19.4 | 0 | 0 | 0 | 111.5 | K630 E652 E658 | K630-D654 IonicContact NZ-OD1 3.73Å; K630-D654 PolarHBondContact NZ-OD1 2.92Å; E652-D654 VanDerWaalsContact C-N 3.32Å; E652-D654 PolarHBondContact O-N 2.95Å; D654-E658 PolarHBondContact O-N 3.38Å |
| 655 | H | 90.8 | Very high | 89.5 | Confident | 101 Ų | 101 | 72.9 Ų | 72.9 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.8 | -48.7 | 175.2 | 178.1 | -91.6 | 0 | 0 | 0 | 111.5 | E652 Q657 E658 E659 | E652-H655 PolarHBondContact O-N 3.21Å; E652-H655 VanDerWaalsContact O-N 3.1Å; H655-Q657 VanDerWaalsContact C-N 3.28Å; H655-Q657 PolarHBondContact O-N 3.5Å; H655-E658 PolarHBondContact O-N 3.24Å; H655-E658 VanDerWaalsContact O-N 3.17Å; H655-E659 IonicContact CE1-OE1 2.73Å; H655-E659 PolarHBondContact CE1-OE1 3.44Å; H655-E659 IonicContact CE1-OE2 2.81Å; H655-E659 IonicContact NE2-OE1 3.99Å; H655-E659 PolarHBondContact O-N 2.88Å |
| 656 | L | 91.8 | Very high | 89.3 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 178.4 | -67.7 | 171.8 | 0 | 0 | 0 | 111.4 | L619 K622 V623 I626 I649 E652 A653 E659 Y660 | L619-L656 HydrophobicContact CD1-CB 4.09Å; L619-L656 HydrophobicContact CD1-CD2 3.56Å; L619-L656 HydrophobicContact CD1-CG 4.44Å; K622-L656 HydrophobicContact CB-CD1 4.24Å; K622-L656 HydrophobicContact CD-CD1 4.2Å; K622-L656 HydrophobicContact CD-CD2 4.23Å; V623-L656 HydrophobicContact CG2-CB 4.14Å; I626-L656 HydrophobicContact CD1-CB 4Å; I626-L656 HydrophobicContact CD1-CD1 4.4Å; I649-L656 HydrophobicContact CG2-CD1 4.16Å; E652-L656 HydrophobicContact CB-CD1 4.16Å; E652-L656 HydrophobicContact CB-CG 4.2Å; E652-L656 WeakPolarHBondContact O-CG 3.39Å; E652-L656 PolarHBondContact O-N 3.26Å; A653-L656 PolarHBondContact O-N 3.45Å; L656-E659 PolarHBondContact O-N 3.4Å; L656-Y660 VanDerWaalsContact O-CB 3.29Å; L656-Y660 WeakPolarHBondContact O-CB 3.28Å; L656-Y660 PolarHBondContact O-N 3.04Å |
| 657 | Q | 91.4 | Very high | 89.2 | Confident | 68 Ų | 68 | 66.5 Ų | 66.5 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.8 | -30.5 | 179.5 | -159.9 | 153.1 | 22.5 | 0 | 0 | 112.3 | A653 H655 | A653-Q657 VanDerWaalsContact O-CB 3.28Å; A653-Q657 WeakPolarHBondContact O-CB 3.22Å; A653-Q657 PolarHBondContact O-N 2.94Å; H655-Q657 VanDerWaalsContact C-N 3.28Å; H655-Q657 PolarHBondContact O-N 3.5Å |
| 658 | E | 88.1 | Confident | 89.3 | Confident | 96 Ų | 96 | 70.1 Ų | 70.1 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.8 | -45.8 | 170.8 | -165.1 | -169.7 | 146.9 | 0 | 0 | 112.1 | D654 H655 Y660 K661 K662 | D654-E658 PolarHBondContact O-N 3.38Å; H655-E658 PolarHBondContact O-N 3.24Å; H655-E658 VanDerWaalsContact O-N 3.17Å; E658-Y660 VanDerWaalsContact C-N 3.32Å; E658-Y660 PolarHBondContact O-N 3.29Å; E658-K661 WeakPolarHBondContact O-CB 3.36Å; E658-K661 PolarHBondContact O-N 3.1Å; E658-K662 IonicContact OE1-NZ 3.67Å |
| 659 | E | 87.6 | Confident | 89.2 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 176.6 | -71.9 | -160 | 146.2 | 0 | 0 | 112.2 | Y615 L619 H655 L656 K661 K662 Q663 | Y615-E659 PolarHBondContact OH-OE2 2.83Å; L619-E659 HydrophobicContact CD1-CB 4.41Å; L619-E659 HydrophobicContact CD2-CB 3.8Å; H655-E659 IonicContact CE1-OE1 2.73Å; H655-E659 PolarHBondContact CE1-OE1 3.44Å; H655-E659 IonicContact CE1-OE2 2.81Å; H655-E659 IonicContact NE2-OE1 3.99Å; H655-E659 PolarHBondContact O-N 2.88Å; L656-E659 PolarHBondContact O-N 3.4Å; E659-K661 PolarHBondContact O-N 3.03Å; E659-K662 WeakPolarHBondContact O-CA 3.46Å; E659-K662 WeakPolarHBondContact O-CB 3.35Å; E659-K662 PolarHBondContact O-N 3.12Å; E659-Q663 PolarHBondContact O-N 3.29Å; E659-Q663 VanDerWaalsContact O-N 3.14Å |
| 660 | Y | 91.3 | Very high | 89.2 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -28.8 | 179.4 | -171.3 | -109.1 | 0 | 0 | 0 | 113.2 | L619 A620 V623 L656 E658 K662 Q663 P664 | L619-Y660 HydrophobicContact CG-CD2 4.42Å; A620-Y660 HydrophobicContact CB-CE2 3.95Å; V623-Y660 HydrophobicContact CB-CD1 4.49Å; V623-Y660 HydrophobicContact CB-CD2 4.16Å; V623-Y660 HydrophobicContact CB-CG 4.11Å; V623-Y660 HydrophobicContact CG1-CD1 3.77Å; V623-Y660 HydrophobicContact CG1-CD2 4.32Å; V623-Y660 HydrophobicContact CG1-CE1 4.19Å; V623-Y660 HydrophobicContact CG1-CG 3.84Å; V623-Y660 HydrophobicContact CG2-CD2 4.05Å; V623-Y660 HydrophobicContact CG2-CG 3.92Å; L656-Y660 VanDerWaalsContact O-CB 3.29Å; L656-Y660 WeakPolarHBondContact O-CB 3.28Å; L656-Y660 PolarHBondContact O-N 3.04Å; E658-Y660 VanDerWaalsContact C-N 3.32Å; E658-Y660 PolarHBondContact O-N 3.29Å; Y660-K662 PolarHBondContact O-N 3.07Å; Y660-Q663 HydrophobicContact CD2-CB 4.2Å; Y660-Q663 HydrophobicContact CD2-CG 4.4Å; Y660-Q663 WeakPolarHBondContact O-CB 3.42Å; Y660-Q663 PolarHBondContact O-N 3.44Å; Y660-P664 VanDerWaalsContact O-CD 3.24Å; Y660-P664 WeakPolarHBondContact O-CD 3.26Å |
| 661 | K | 88.1 | Confident | 89.5 | Confident | 166 Ų | 166 | 69 Ų | 69 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.6 | 173.2 | -65.7 | 172.2 | -174.2 | 174.4 | 0 | 112.4 | E658 E659 | E658-K661 WeakPolarHBondContact O-CB 3.36Å; E658-K661 PolarHBondContact O-N 3.1Å; E659-K661 PolarHBondContact O-N 3.03Å |
| 662 | K | 84.5 | Confident | 89.5 | Confident | 108 Ų | 108 | 63.5 Ų | 63.5 | 47% | 0.47 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -20.1 | -178.8 | -60.2 | 166.3 | -174.3 | 157.4 | 0 | 112 | E658 E659 Y660 A665 H666 | E658-K662 IonicContact OE1-NZ 3.67Å; E659-K662 WeakPolarHBondContact O-CA 3.46Å; E659-K662 WeakPolarHBondContact O-CB 3.35Å; E659-K662 PolarHBondContact O-N 3.12Å; Y660-K662 PolarHBondContact O-N 3.07Å; K662-A665 PolarHBondContact O-N 3.16Å; K662-H666 PolarHBondContact O-CD2 3.32Å; K662-H666 PolarHBondContact O-N 3.29Å |
| 663 | Q | 89.6 | Confident | 89.6 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.5 | -45.2 | -172.2 | -178 | -123 | 27.9 | 0 | 0 | 114.8 | Q616 L619 E659 Y660 A665 H666 L667 | Q616-Q663 HydrophobicContact CB-CG 4.22Å; Q616-Q663 PolarHBondContact O-NE2 3.3Å; L619-Q663 HydrophobicContact CD2-CB 4.05Å; L619-Q663 HydrophobicContact CD2-CG 4.14Å; E659-Q663 PolarHBondContact O-N 3.29Å; E659-Q663 VanDerWaalsContact O-N 3.14Å; Y660-Q663 HydrophobicContact CD2-CB 4.2Å; Y660-Q663 HydrophobicContact CD2-CG 4.4Å; Y660-Q663 WeakPolarHBondContact O-CB 3.42Å; Y660-Q663 PolarHBondContact O-N 3.44Å; Q663-A665 VanDerWaalsContact C-N 3.28Å; Q663-A665 PolarHBondContact O-N 3.19Å; Q663-H666 PolarHBondContact O-N 3.04Å; Q663-L667 WeakPolarHBondContact O-CB 3.47Å; Q663-L667 PolarHBondContact O-N 3.38Å |
| 664 | P | 86.9 | Confident | 89.7 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.2 | -43.6 | -178.9 | -28.2 | 34.9 | 0 | 0 | 0 | 113.1 | Y660 H666 L667 E668 | Y660-P664 VanDerWaalsContact O-CD 3.24Å; Y660-P664 WeakPolarHBondContact O-CD 3.26Å; P664-H666 PolarHBondContact O-N 3.21Å; P664-L667 PolarHBondContact O-N 3.1Å; P664-E668 WeakPolarHBondContact O-CB 3.49Å; P664-E668 PolarHBondContact O-N 3.35Å |
| 665 | A | 85.1 | Confident | 89.9 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -72.1 | -30.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K662 Q663 R669 | K662-A665 PolarHBondContact O-N 3.16Å; Q663-A665 VanDerWaalsContact C-N 3.28Å; Q663-A665 PolarHBondContact O-N 3.19Å; A665-R669 WeakPolarHBondContact O-CB 3.39Å; A665-R669 PolarHBondContact O-N 3.07Å |
| 666 | H | 85.7 | Confident | 90.1 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 20% | 0.199 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.3 | -40.9 | 172.1 | -74.5 | -63.5 | 0 | 0 | 0 | 111.9 | Q616 K662 Q663 P664 R669 L670 | Q616-H666 HydrophobicContact CG-CB 4.44Å; K662-H666 PolarHBondContact O-CD2 3.32Å; K662-H666 PolarHBondContact O-N 3.29Å; Q663-H666 PolarHBondContact O-N 3.04Å; P664-H666 PolarHBondContact O-N 3.21Å; H666-R669 PolarHBondContact O-N 2.72Å; H666-L670 WeakPolarHBondContact O-CG 3.42Å; H666-L670 PolarHBondContact O-N 3.05Å |
| 667 | L | 89.4 | Confident | 90.2 | Very high | 31 Ų | 31 | 53.8 Ų | 53.8 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.2 | -45.7 | -179.3 | -169.3 | 153.9 | 0 | 0 | 0 | 111.2 | L617 Q663 P664 R669 L670 Y671 | L617-L667 HydrophobicContact CD2-CD1 4.04Å; Q663-L667 WeakPolarHBondContact O-CB 3.47Å; Q663-L667 PolarHBondContact O-N 3.38Å; P664-L667 PolarHBondContact O-N 3.1Å; L667-R669 VanDerWaalsContact C-N 3.29Å; L667-R669 PolarHBondContact O-N 2.74Å; L667-L670 PolarHBondContact O-N 2.78Å; L667-L670 VanDerWaalsContact O-N 3.15Å; L667-Y671 HydrophobicContact CD2-CD1 3.97Å; L667-Y671 HydrophobicContact CD2-CD2 3.85Å; L667-Y671 HydrophobicContact CD2-CE1 3.58Å; L667-Y671 HydrophobicContact CD2-CE2 3.47Å; L667-Y671 VanDerWaalsContact CD2-CE2 3.47Å; L667-Y671 HydrophobicContact CD2-CG 4.1Å; L667-Y671 HydrophobicContact CG-CD1 4.45Å; L667-Y671 HydrophobicContact CG-CE1 4Å; L667-Y671 WeakPolarHBondContact O-CD1 3.26Å; L667-Y671 PolarHBondContact O-N 3.04Å |
| 668 | E | 88.9 | Confident | 90.4 | Very high | 145 Ų | 145 | 50.5 Ų | 50.5 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -56.4 | -43.1 | 173.2 | -176.9 | 176.1 | -170.7 | 0 | 0 | 111.7 | P664 Y671 G672 | P664-E668 WeakPolarHBondContact O-CB 3.49Å; P664-E668 PolarHBondContact O-N 3.35Å; E668-Y671 PolarHBondContact O-N 2.86Å; E668-G672 PolarHBondContact O-N 3.48Å |
| 669 | R | 89.4 | Confident | 90.7 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 10% | 0.102 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.9 | -176.9 | 175.6 | -175.9 | 168.5 | 2.2 | 112.5 | A392 L493 F549 A665 H666 L667 Y671 G672 M673 | A392-R669 PolarHBondContact O-NH1 3.26Å; A392-R669 PolarHBondContact O-NH2 3.28Å; L493-R669 VanDerWaalsContact CD2-NH2 3.27Å; F549-R669 HydrophobicContact CE1-CG 4.23Å; F549-R669 HydrophobicContact CZ-CG 4.09Å; A665-R669 WeakPolarHBondContact O-CB 3.39Å; A665-R669 PolarHBondContact O-N 3.07Å; H666-R669 PolarHBondContact O-N 2.72Å; L667-R669 VanDerWaalsContact C-N 3.29Å; L667-R669 PolarHBondContact O-N 2.74Å; R669-Y671 VanDerWaalsContact C-N 3.34Å; R669-G672 PolarHBondContact O-N 2.57Å; R669-M673 HydrophobicContact CG-CE 3.82Å; R669-M673 HydrophobicContact CG-SD 4.45Å; R669-M673 WeakPolarHBondContact O-CG 3.25Å; R669-M673 PolarHBondContact O-N 3.19Å |
| 670 | L | 92 | Very high | 91 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 177.2 | -72 | 165.7 | 0 | 0 | 0 | 111.1 | F549 I609 K612 L613 Q616 H666 L667 M673 I674 | F549-L670 HydrophobicContact CE1-CD2 3.6Å; F549-L670 HydrophobicContact CE1-CG 4.24Å; F549-L670 HydrophobicContact CZ-CD2 3.84Å; F549-L670 HydrophobicContact CZ-CG 4.1Å; I609-L670 HydrophobicContact CG2-CD2 4.11Å; K612-L670 HydrophobicContact CB-CD1 4.27Å; K612-L670 HydrophobicContact CB-CD2 4.27Å; L613-L670 HydrophobicContact CD2-CB 3.67Å; L613-L670 HydrophobicContact CD2-CD1 3.73Å; L613-L670 HydrophobicContact CD2-CG 4.28Å; L613-L670 HydrophobicContact CG-CB 4.18Å; L613-L670 HydrophobicContact CG-CD1 4.04Å; Q616-L670 HydrophobicContact CG-CD1 4.15Å; H666-L670 WeakPolarHBondContact O-CG 3.42Å; H666-L670 PolarHBondContact O-N 3.05Å; L667-L670 PolarHBondContact O-N 2.78Å; L667-L670 VanDerWaalsContact O-N 3.15Å; L670-M673 PolarHBondContact O-N 2.78Å; L670-I674 VanDerWaalsContact O-CG1 3.31Å; L670-I674 WeakPolarHBondContact O-CG1 3.24Å; L670-I674 PolarHBondContact O-N 2.81Å |
| 671 | Y | 93.4 | Very high | 91.1 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 11% | 0.114 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.9 | -76.4 | 14.8 | 0 | 0 | 0 | 111.7 | L613 L667 E668 R669 I674 T675 L697 L700 D701 | L613-Y671 HydrophobicContact CD2-CD1 4.08Å; L613-Y671 HydrophobicContact CD2-CE1 3.85Å; L667-Y671 HydrophobicContact CD2-CD1 3.97Å; L667-Y671 HydrophobicContact CD2-CD2 3.85Å; L667-Y671 HydrophobicContact CD2-CE1 3.58Å; L667-Y671 HydrophobicContact CD2-CE2 3.47Å; L667-Y671 VanDerWaalsContact CD2-CE2 3.47Å; L667-Y671 HydrophobicContact CD2-CG 4.1Å; L667-Y671 HydrophobicContact CG-CD1 4.45Å; L667-Y671 HydrophobicContact CG-CE1 4Å; L667-Y671 WeakPolarHBondContact O-CD1 3.26Å; L667-Y671 PolarHBondContact O-N 3.04Å; E668-Y671 PolarHBondContact O-N 2.86Å; R669-Y671 VanDerWaalsContact C-N 3.34Å; Y671-I674 PolarHBondContact O-N 2.91Å; Y671-T675 VanDerWaalsContact O-CB 3.32Å; Y671-T675 WeakPolarHBondContact O-CB 3.44Å; Y671-T675 PolarHBondContact O-N 2.9Å; Y671-T675 PolarHBondContact O-OG1 2.81Å; Y671-L697 HydrophobicContact CD2-CD2 4.36Å; Y671-L700 HydrophobicContact CD1-CB 4.25Å; Y671-L700 HydrophobicContact CD1-CD1 3.98Å; Y671-L700 HydrophobicContact CE1-CB 3.84Å; Y671-L700 HydrophobicContact CE1-CD1 4.42Å; Y671-L700 HydrophobicContact CE2-CB 4.17Å; Y671-L700 HydrophobicContact CG-CD1 4.05Å; Y671-L700 PolarHBondContact OH-O 2.95Å; Y671-L700 VanDerWaalsContact OH-O 3.12Å; Y671-D701 WeakPolarHBondContact CE2-OD1 3.48Å; Y671-D701 PolarHBondContact OH-OD1 2.95Å |
| 672 | G | 91.8 | Very high | 91.4 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 32% | 0.32 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.8 | -50.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E668 R669 I674 T675 D676 | E668-G672 PolarHBondContact O-N 3.48Å; R669-G672 PolarHBondContact O-N 2.57Å; G672-I674 PolarHBondContact O-N 3.05Å; G672-T675 WeakPolarHBondContact O-CB 3.16Å; G672-T675 PolarHBondContact O-N 2.69Å; G672-T675 VanDerWaalsContact O-N 3.14Å; G672-D676 PolarHBondContact O-N 3.18Å |
| 673 | M | 93.2 | Very high | 91.7 | Very high | 31 Ų | 31 | 33.1 Ų | 33.1 | 15% | 0.153 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 179.7 | -71.8 | -179.7 | -179.8 | 0 | 0 | 113.6 | L493 F549 L550 R669 L670 T675 L677 | L493-M673 HydrophobicContact CD1-CE 3.99Å; F549-M673 HydrophobicContact CB-CE 4.48Å; F549-M673 HydrophobicContact CD1-CE 3.41Å; F549-M673 VanDerWaalsContact CD1-CE 3.41Å; F549-M673 HydrophobicContact CD1-SD 3.26Å; F549-M673 WeakPolarHBondContact CD1-SD 3.46Å; F549-M673 HydrophobicContact CE1-CE 3.79Å; F549-M673 HydrophobicContact CE1-SD 3.37Å; F549-M673 WeakPolarHBondContact CE1-SD 3.28Å; F549-M673 HydrophobicContact CG-CE 4.09Å; F549-M673 HydrophobicContact CG-SD 4.42Å; L550-M673 HydrophobicContact CD1-SD 4.02Å; L550-M673 HydrophobicContact CD2-SD 3.88Å; L550-M673 HydrophobicContact CG-SD 4.01Å; R669-M673 HydrophobicContact CG-CE 3.82Å; R669-M673 HydrophobicContact CG-SD 4.45Å; R669-M673 WeakPolarHBondContact O-CG 3.25Å; R669-M673 PolarHBondContact O-N 3.19Å; L670-M673 PolarHBondContact O-N 2.78Å; M673-T675 VanDerWaalsContact C-N 3.33Å; M673-L677 VanDerWaalsContact O-CB 3.23Å; M673-L677 WeakPolarHBondContact O-CB 3.34Å; M673-L677 PolarHBondContact O-N 3.08Å |
| 674 | I | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68 | -38.4 | 175.7 | -66.2 | 168.9 | 0 | 0 | 0 | 110.7 | L606 I609 L613 L670 Y671 G672 L677 F678 L696 L700 F712 | L606-I674 HydrophobicContact CD2-CG2 4.49Å; I609-I674 HydrophobicContact CD1-CG1 4.03Å; I609-I674 HydrophobicContact CG2-CD1 3.83Å; I609-I674 HydrophobicContact CG2-CG1 4.09Å; L613-I674 HydrophobicContact CD1-CD1 3.35Å; L613-I674 HydrophobicContact CG-CD1 4.35Å; L670-I674 VanDerWaalsContact O-CG1 3.31Å; L670-I674 WeakPolarHBondContact O-CG1 3.24Å; L670-I674 PolarHBondContact O-N 2.81Å; Y671-I674 PolarHBondContact O-N 2.91Å; G672-I674 PolarHBondContact O-N 3.05Å; I674-L677 PolarHBondContact O-N 2.98Å; I674-F678 WeakPolarHBondContact O-CB 3.44Å; I674-F678 PolarHBondContact O-N 3.37Å; I674-L696 HydrophobicContact CG2-CD1 4.49Å; I674-L696 HydrophobicContact CG2-CD2 4.4Å; I674-L700 HydrophobicContact CB-CD1 4.37Å; I674-L700 HydrophobicContact CD1-CD1 4.47Å; I674-L700 HydrophobicContact CD1-CD2 3.71Å; I674-L700 HydrophobicContact CG2-CD1 4.2Å; I674-L700 HydrophobicContact CG2-CD2 4.26Å; I674-F712 HydrophobicContact CG2-CE2 3.92Å; I674-F712 HydrophobicContact CG2-CZ 3.82Å |
| 675 | T | 94.6 | Very high | 92.1 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 111 | Y671 G672 M673 F678 I679 V693 | Y671-T675 VanDerWaalsContact O-CB 3.32Å; Y671-T675 WeakPolarHBondContact O-CB 3.44Å; Y671-T675 PolarHBondContact O-N 2.9Å; Y671-T675 PolarHBondContact O-OG1 2.81Å; G672-T675 WeakPolarHBondContact O-CB 3.16Å; G672-T675 PolarHBondContact O-N 2.69Å; G672-T675 VanDerWaalsContact O-N 3.14Å; M673-T675 VanDerWaalsContact C-N 3.33Å; T675-F678 WeakPolarHBondContact O-CB 3.25Å; T675-F678 PolarHBondContact O-N 2.89Å; T675-I679 HydrophobicContact CG2-CD1 3.94Å; T675-I679 VanDerWaalsContact O-CG1 3.3Å; T675-I679 WeakPolarHBondContact O-CG1 3.26Å; T675-I679 PolarHBondContact O-N 3.37Å; T675-V693 HydrophobicContact CG2-CG1 3.69Å; T675-V693 HydrophobicContact CG2-CG2 4.05Å |
| 676 | D | 93.6 | Very high | 92.3 | Very high | 73 Ų | 73 | 36.4 Ų | 36.4 | 39% | 0.39 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64 | -43.9 | 176.2 | -70.2 | -27.7 | 0 | 0 | 0 | 111.2 | G672 F678 I679 D680 | G672-D676 PolarHBondContact O-N 3.18Å; D676-F678 VanDerWaalsContact C-N 3.29Å; D676-F678 PolarHBondContact O-N 3.43Å; D676-I679 PolarHBondContact O-N 3.37Å; D676-D680 WeakPolarHBondContact O-CB 3.5Å; D676-D680 VanDerWaalsContact O-CG 3.29Å; D676-D680 PolarHBondContact O-N 3.06Å |
| 677 | L | 94.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.8 | -43.6 | 174.5 | -173.8 | 72.9 | 0 | 0 | 0 | 112 | N569 I570 S571 V602 T605 L606 M673 I674 K681 F712 | N569-L677 WeakPolarHBondContact OD1-CD1 3.43Å; I570-L677 HydrophobicContact CG2-CD1 3.39Å; I570-L677 HydrophobicContact CG2-CG 4.41Å; S571-L677 WeakPolarHBondContact OG-CA 3.3Å; S571-L677 PolarHBondContact OG-N 2.8Å; V602-L677 HydrophobicContact CG1-CD2 4.47Å; T605-L677 HydrophobicContact CG2-CD1 4.25Å; T605-L677 HydrophobicContact CG2-CD2 4Å; L606-L677 HydrophobicContact CD2-CD2 4.01Å; L606-L677 HydrophobicContact CG-CD2 4.24Å; M673-L677 VanDerWaalsContact O-CB 3.23Å; M673-L677 WeakPolarHBondContact O-CB 3.34Å; M673-L677 PolarHBondContact O-N 3.08Å; I674-L677 PolarHBondContact O-N 2.98Å; L677-K681 WeakPolarHBondContact O-CB 3.25Å; L677-K681 PolarHBondContact O-N 3.42Å; L677-F712 HydrophobicContact CD2-CE1 4.21Å; L677-F712 HydrophobicContact CD2-CZ 4.47Å; L677-F712 HydrophobicContact CG-CE1 4.2Å |
| 678 | F | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -51.1 | 176.4 | -179.6 | -103.8 | 0 | 0 | 0 | 111.2 | I674 T675 D676 D680 K681 F682 V689 K692 L696 F711 F712 A715 | I674-F678 WeakPolarHBondContact O-CB 3.44Å; I674-F678 PolarHBondContact O-N 3.37Å; T675-F678 WeakPolarHBondContact O-CB 3.25Å; T675-F678 PolarHBondContact O-N 2.89Å; D676-F678 VanDerWaalsContact C-N 3.29Å; D676-F678 PolarHBondContact O-N 3.43Å; F678-D680 VanDerWaalsContact C-N 3.31Å; F678-D680 PolarHBondContact O-N 3.45Å; F678-K681 PolarHBondContact O-N 3.02Å; F678-F682 HydrophobicContact CD2-CD2 4.09Å; F678-F682 AromaticContact CD2-CE2 3.76Å; F678-F682 HydrophobicContact CD2-CE2 3.76Å; F678-F682 HydrophobicContact CE1-CD2 4.4Å; F678-F682 AromaticContact CE2-CD2 3.89Å; F678-F682 HydrophobicContact CE2-CD2 3.89Å; F678-F682 AromaticContact CE2-CE2 3.33Å; F678-F682 HydrophobicContact CE2-CE2 3.33Å; F678-F682 HydrophobicContact CE2-CZ 4.32Å; F678-F682 HydrophobicContact CG-CD2 4.44Å; F678-F682 HydrophobicContact CZ-CD2 4.03Å; F678-F682 AromaticContact CZ-CE2 3.78Å; F678-F682 HydrophobicContact CZ-CE2 3.78Å; F678-F682 VanDerWaalsContact O-CD2 3.29Å; F678-F682 WeakPolarHBondContact O-CD2 3.4Å; F678-F682 PolarHBondContact O-N 3.03Å; F678-V689 HydrophobicContact CD1-CG2 3.75Å; F678-V689 HydrophobicContact CE1-CB 3.73Å; F678-V689 HydrophobicContact CE1-CG2 3.41Å; F678-V689 VanDerWaalsContact CE1-CG2 3.41Å; F678-V689 HydrophobicContact CZ-CB 4.2Å; F678-V689 HydrophobicContact CZ-CG2 4.13Å; F678-K692 HydrophobicContact CE1-CB 4.19Å; F678-K692 HydrophobicContact CZ-CB 4.3Å; F678-L696 HydrophobicContact CB-CD2 3.82Å; F678-L696 HydrophobicContact CD1-CD2 4.14Å; F678-L696 HydrophobicContact CG-CD2 3.93Å; F678-F711 HydrophobicContact CD2-CD1 4.45Å; F678-F711 HydrophobicContact CD2-CE1 4.26Å; F678-F711 HydrophobicContact CE1-CE1 4.35Å; F678-F711 AromaticContact CE2-CD1 3.82Å; F678-F711 HydrophobicContact CE2-CD1 3.82Å; F678-F711 AromaticContact CE2-CE1 3.49Å; F678-F711 HydrophobicContact CE2-CE1 3.49Å; F678-F711 VanDerWaalsContact CE2-CE1 3.49Å; F678-F711 HydrophobicContact CE2-CZ 4.48Å; F678-F711 HydrophobicContact CZ-CD1 4.34Å; F678-F711 AromaticContact CZ-CE1 3.56Å; F678-F711 HydrophobicContact CZ-CE1 3.56Å; F678-F711 HydrophobicContact CZ-CZ 4.2Å; F678-F712 HydrophobicContact CB-CE1 3.77Å; F678-F712 HydrophobicContact CB-CE2 4.31Å; F678-F712 HydrophobicContact CB-CZ 3.6Å; F678-F712 HydrophobicContact CD2-CD1 4.04Å; F678-F712 HydrophobicContact CD2-CD2 4.15Å; F678-F712 AromaticContact CD2-CE1 4Å; F678-F712 HydrophobicContact CD2-CE1 4Å; F678-F712 HydrophobicContact CD2-CE2 4.09Å; F678-F712 HydrophobicContact CD2-CG 4.15Å; F678-F712 HydrophobicContact CD2-CZ 4.03Å; F678-F712 HydrophobicContact CG-CE1 4.4Å; F678-F712 HydrophobicContact CG-CZ 4.3Å; F678-A715 HydrophobicContact CE2-CB 3.82Å; F678-A715 HydrophobicContact CZ-CB 3.79Å |
| 679 | I | 94.3 | Very high | 92.8 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 19% | 0.185 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | -179.9 | -67.8 | 167.4 | 0 | 0 | 0 | 110.6 | T675 D676 F682 K683 V693 | T675-I679 HydrophobicContact CG2-CD1 3.94Å; T675-I679 VanDerWaalsContact O-CG1 3.3Å; T675-I679 WeakPolarHBondContact O-CG1 3.26Å; T675-I679 PolarHBondContact O-N 3.37Å; D676-I679 PolarHBondContact O-N 3.37Å; I679-F682 PolarHBondContact O-N 3.25Å; I679-K683 VanDerWaalsContact O-CB 3.27Å; I679-K683 WeakPolarHBondContact O-CB 3.4Å; I679-K683 PolarHBondContact O-N 3.27Å; I679-V693 HydrophobicContact CD1-CG2 4.16Å; I679-V693 HydrophobicContact CG1-CG2 4.34Å |
| 680 | D | 94.2 | Very high | 92.8 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.2 | -41.7 | -177.8 | -74.6 | -35.9 | 0 | 0 | 0 | 112.7 | S571 S574 D676 F678 F682 K683 F684 | S571-D680 VanDerWaalsContact CA-OD2 3.29Å; S571-D680 WeakPolarHBondContact CA-OD2 3.48Å; S571-D680 VanDerWaalsContact CB-OD2 3.26Å; S571-D680 WeakPolarHBondContact CB-OD2 3.42Å; S571-D680 PolarHBondContact OG-OD2 2.93Å; S574-D680 WeakPolarHBondContact CB-OD1 3.2Å; S574-D680 VanDerWaalsContact OG-CG 3.28Å; S574-D680 PolarHBondContact OG-OD1 3.19Å; D676-D680 WeakPolarHBondContact O-CB 3.5Å; D676-D680 VanDerWaalsContact O-CG 3.29Å; D676-D680 PolarHBondContact O-N 3.06Å; F678-D680 VanDerWaalsContact C-N 3.31Å; F678-D680 PolarHBondContact O-N 3.45Å; D680-F682 VanDerWaalsContact C-N 3.29Å; D680-F682 PolarHBondContact O-N 3.49Å; D680-K683 WeakPolarHBondContact O-CB 3.45Å; D680-K683 PolarHBondContact O-N 3.43Å; D680-F684 VanDerWaalsContact O-CD2 3.24Å; D680-F684 WeakPolarHBondContact O-CD2 3.39Å; D680-F684 PolarHBondContact O-N 3.13Å |
| 681 | K | 93.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.8 | -50.3 | 174 | -179.4 | -172.2 | -171.1 | 179.4 | 0 | 111.3 | V602 L677 F678 K685 F712 D713 | V602-K681 HydrophobicContact CG1-CD 4.17Å; V602-K681 HydrophobicContact CG2-CB 4.44Å; V602-K681 HydrophobicContact CG2-CD 4.01Å; V602-K681 HydrophobicContact CG2-CG 4.11Å; L677-K681 WeakPolarHBondContact O-CB 3.25Å; L677-K681 PolarHBondContact O-N 3.42Å; F678-K681 PolarHBondContact O-N 3.02Å; K681-K685 PolarHBondContact O-N 3.29Å; K681-F712 HydrophobicContact CD-CD1 4.11Å; K681-F712 PolarHBondContact NZ-O 3.08Å; K681-D713 IonicContact NZ-OD1 3.36Å; K681-D713 PolarHBondContact NZ-OD1 3.22Å |
| 682 | F | 93.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -77 | -31.3 | -177.3 | -75.7 | -71 | 0 | 0 | 0 | 112.8 | F678 I679 D680 F684 K685 G686 T687 V689 A715 | F678-F682 HydrophobicContact CD2-CD2 4.09Å; F678-F682 AromaticContact CD2-CE2 3.76Å; F678-F682 HydrophobicContact CD2-CE2 3.76Å; F678-F682 HydrophobicContact CE1-CD2 4.4Å; F678-F682 AromaticContact CE2-CD2 3.89Å; F678-F682 HydrophobicContact CE2-CD2 3.89Å; F678-F682 AromaticContact CE2-CE2 3.33Å; F678-F682 HydrophobicContact CE2-CE2 3.33Å; F678-F682 HydrophobicContact CE2-CZ 4.32Å; F678-F682 HydrophobicContact CG-CD2 4.44Å; F678-F682 HydrophobicContact CZ-CD2 4.03Å; F678-F682 AromaticContact CZ-CE2 3.78Å; F678-F682 HydrophobicContact CZ-CE2 3.78Å; F678-F682 VanDerWaalsContact O-CD2 3.29Å; F678-F682 WeakPolarHBondContact O-CD2 3.4Å; F678-F682 PolarHBondContact O-N 3.03Å; I679-F682 PolarHBondContact O-N 3.25Å; D680-F682 VanDerWaalsContact C-N 3.29Å; D680-F682 PolarHBondContact O-N 3.49Å; F682-F684 VanDerWaalsContact C-N 3.29Å; F682-F684 PolarHBondContact O-N 3.44Å; F682-K685 CarbonylContact O-C 3.57Å; F682-K685 WeakPolarHBondContact O-CA 3.47Å; F682-K685 PolarHBondContact O-N 2.82Å; F682-G686 PolarHBondContact O-N 3.48Å; F682-G686 VanDerWaalsContact O-N 3.08Å; F682-T687 CarbonylContact C-O 3.56Å; F682-T687 VanDerWaalsContact C-O 3.25Å; F682-T687 WeakPolarHBondContact CB-OG1 3.12Å; F682-T687 WeakPolarHBondContact CD1-OG1 3.3Å; F682-T687 PolarHBondContact O-N 3.28Å; F682-T687 VanDerWaalsContact O-O 3.12Å; F682-T687 PolarHBondContact O-OG1 2.93Å; F682-V689 HydrophobicContact CB-CB 4.26Å; F682-V689 HydrophobicContact CB-CG1 3.64Å; F682-V689 HydrophobicContact CB-CG2 3.59Å; F682-V689 HydrophobicContact CD1-CG1 3.97Å; F682-V689 HydrophobicContact CD2-CB 4.35Å; F682-V689 HydrophobicContact CD2-CG1 3.92Å; F682-V689 HydrophobicContact CD2-CG2 3.77Å; F682-V689 HydrophobicContact CG-CB 4.34Å; F682-V689 HydrophobicContact CG-CG1 3.55Å; F682-V689 HydrophobicContact CG-CG2 3.91Å; F682-A715 WeakPolarHBondContact CE1-O 3.38Å; F682-A715 HydrophobicContact CE2-CB 4.07Å; F682-A715 HydrophobicContact CZ-CB 3.77Å; F682-A715 WeakPolarHBondContact CZ-O 3.46Å |
| 683 | K | 92.7 | Very high | 92.7 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.5 | -41.1 | 171.3 | -177.3 | -174.8 | 174.2 | -164.5 | 0 | 111.8 | S574 D578 I679 D680 K685 G686 | S574-K683 PolarHBondContact OG-NZ 3.31Å; D578-K683 IonicContact OD1-NZ 2.77Å; D578-K683 PolarHBondContact OD1-NZ 2.78Å; D578-K683 IonicContact OD2-NZ 3.29Å; D578-K683 PolarHBondContact OD2-NZ 2.86Å; I679-K683 VanDerWaalsContact O-CB 3.27Å; I679-K683 WeakPolarHBondContact O-CB 3.4Å; I679-K683 PolarHBondContact O-N 3.27Å; D680-K683 WeakPolarHBondContact O-CB 3.45Å; D680-K683 PolarHBondContact O-N 3.43Å; K683-K685 VanDerWaalsContact C-N 3.3Å; K683-K685 PolarHBondContact O-N 2.89Å; K683-G686 PolarHBondContact O-N 3.37Å; K683-G686 VanDerWaalsContact O-N 3.1Å |
| 684 | F | 92.6 | Very high | 92.8 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.9 | -25.1 | 174.5 | -79.3 | -69.5 | 0 | 0 | 0 | 113.6 | I570 I573 K577 Y595 I597 D680 F682 G686 | I570-F684 HydrophobicContact CD1-CD2 3.73Å; I570-F684 HydrophobicContact CD1-CE2 4.39Å; I570-F684 HydrophobicContact CD1-CG 4.47Å; I570-F684 HydrophobicContact CG1-CD2 3.57Å; I570-F684 HydrophobicContact CG1-CE2 3.72Å; I573-F684 HydrophobicContact CB-CZ 4.49Å; I573-F684 HydrophobicContact CG2-CE1 4.49Å; I573-F684 HydrophobicContact CG2-CE2 4.49Å; I573-F684 HydrophobicContact CG2-CZ 3.84Å; K577-F684 HydrophobicContact CD-CE1 3.87Å; K577-F684 HydrophobicContact CD-CZ 4.26Å; Y595-F684 HydrophobicContact CD1-CD1 4.19Å; Y595-F684 HydrophobicContact CD1-CE1 4.08Å; Y595-F684 AromaticContact CD2-CD1 3.59Å; Y595-F684 HydrophobicContact CD2-CD1 3.59Å; Y595-F684 HydrophobicContact CD2-CE1 4.05Å; Y595-F684 HydrophobicContact CE1-CD1 4.21Å; Y595-F684 HydrophobicContact CE1-CE1 4.42Å; Y595-F684 HydrophobicContact CE2-CB 4.39Å; Y595-F684 AromaticContact CE2-CD1 3.59Å; Y595-F684 HydrophobicContact CE2-CD1 3.59Å; Y595-F684 HydrophobicContact CE2-CE1 4.38Å; Y595-F684 HydrophobicContact CE2-CG 4.45Å; Y595-F684 AromaticContact CG-CD1 3.9Å; Y595-F684 HydrophobicContact CG-CD1 3.9Å; Y595-F684 AromaticContact CG-CE1 3.89Å; Y595-F684 HydrophobicContact CG-CE1 3.89Å; Y595-F684 AromaticContact CZ-CD1 3.92Å; I597-F684 HydrophobicContact CD1-CD1 4.32Å; I597-F684 HydrophobicContact CD1-CD2 4.28Å; I597-F684 HydrophobicContact CD1-CG 4.17Å; I597-F684 HydrophobicContact CG1-CB 4.2Å; I597-F684 HydrophobicContact CG1-CG 4.26Å; D680-F684 VanDerWaalsContact O-CD2 3.24Å; D680-F684 WeakPolarHBondContact O-CD2 3.39Å; D680-F684 PolarHBondContact O-N 3.13Å; F682-F684 VanDerWaalsContact C-N 3.29Å; F682-F684 PolarHBondContact O-N 3.44Å; F684-G686 PolarHBondContact O-N 2.82Å |
| 685 | K | 90.6 | Very high | 92.7 | Very high | 104 Ų | 104 | 54.8 Ų | 54.8 | 45% | 0.452 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1 | 169.9 | -62.9 | -173.2 | -178.8 | -167.8 | 0 | 113.3 | E599 K681 F682 K683 T687 | E599-K685 WeakPolarHBondContact OE1-CE 3.33Å; E599-K685 IonicContact OE1-NZ 3.79Å; E599-K685 PolarHBondContact OE1-NZ 2.9Å; E599-K685 IonicContact OE2-NZ 2.94Å; E599-K685 PolarHBondContact OE2-NZ 3.27Å; K681-K685 PolarHBondContact O-N 3.29Å; F682-K685 CarbonylContact O-C 3.57Å; F682-K685 WeakPolarHBondContact O-CA 3.47Å; F682-K685 PolarHBondContact O-N 2.82Å; K683-K685 VanDerWaalsContact C-N 3.3Å; K683-K685 PolarHBondContact O-N 2.89Å; K685-T687 VanDerWaalsContact C-N 3.35Å |
| 686 | G | 89.8 | Confident | 92.6 | Very high | 70 Ų | 70 | 54 Ų | 54 | 72% | 0.722 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 14.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F682 K683 F684 | F682-G686 PolarHBondContact O-N 3.48Å; F682-G686 VanDerWaalsContact O-N 3.08Å; K683-G686 PolarHBondContact O-N 3.37Å; K683-G686 VanDerWaalsContact O-N 3.1Å; F684-G686 PolarHBondContact O-N 2.82Å |
| 687 | T | 91.5 | Very high | 92.5 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 42% | 0.423 | 30% | 0.295 | S | S | . | . | trans | -110.2 | 144.9 | -180 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | F682 K685 | F682-T687 CarbonylContact C-O 3.56Å; F682-T687 VanDerWaalsContact C-O 3.25Å; F682-T687 WeakPolarHBondContact CB-OG1 3.12Å; F682-T687 WeakPolarHBondContact CD1-OG1 3.3Å; F682-T687 PolarHBondContact O-N 3.28Å; F682-T687 VanDerWaalsContact O-O 3.12Å; F682-T687 PolarHBondContact O-OG1 2.93Å; K685-T687 VanDerWaalsContact C-N 3.35Å | ||
| 688 | N | 90.6 | Very high | 92.4 | Very high | 125 Ų | 125 | 60 Ų | 60 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | trans | -104.1 | 114.5 | 175.1 | -175.8 | -15.4 | 0 | 0 | 0 | 109.4 | K690 | N688-K690 WeakPolarHBondContact OD1-CB 3.44Å; N688-K690 VanDerWaalsContact OD1-CG 3.32Å; N688-K690 WeakPolarHBondContact OD1-CG 3.23Å; N688-K690 PolarHBondContact OD1-N 3.42Å; N688-K690 VanDerWaalsContact OD1-N 3.15Å | ||
| 689 | V | 91.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | trans | -111.4 | 15.7 | -174.4 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | F678 F682 T691 K692 | F678-V689 HydrophobicContact CD1-CG2 3.75Å; F678-V689 HydrophobicContact CE1-CB 3.73Å; F678-V689 HydrophobicContact CE1-CG2 3.41Å; F678-V689 VanDerWaalsContact CE1-CG2 3.41Å; F678-V689 HydrophobicContact CZ-CB 4.2Å; F678-V689 HydrophobicContact CZ-CG2 4.13Å; F682-V689 HydrophobicContact CB-CB 4.26Å; F682-V689 HydrophobicContact CB-CG1 3.64Å; F682-V689 HydrophobicContact CB-CG2 3.59Å; F682-V689 HydrophobicContact CD1-CG1 3.97Å; F682-V689 HydrophobicContact CD2-CB 4.35Å; F682-V689 HydrophobicContact CD2-CG1 3.92Å; F682-V689 HydrophobicContact CD2-CG2 3.77Å; F682-V689 HydrophobicContact CG-CB 4.34Å; F682-V689 HydrophobicContact CG-CG1 3.55Å; F682-V689 HydrophobicContact CG-CG2 3.91Å; V689-T691 PolarHBondContact O-N 3.11Å; V689-T691 VanDerWaalsContact O-N 3.07Å; V689-K692 WeakPolarHBondContact O-CB 3.49Å; V689-K692 PolarHBondContact O-N 2.89Å | ||
| 690 | K | 89.9 | Confident | 92.1 | Very high | 136 Ų | 136 | 59.9 Ų | 59.9 | 59% | 0.591 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -56.2 | -29.1 | -178.7 | -73.2 | -176.2 | 179.2 | -167.4 | 0 | 113.6 | N688 K692 V693 | N688-K690 WeakPolarHBondContact OD1-CB 3.44Å; N688-K690 VanDerWaalsContact OD1-CG 3.32Å; N688-K690 WeakPolarHBondContact OD1-CG 3.23Å; N688-K690 PolarHBondContact OD1-N 3.42Å; N688-K690 VanDerWaalsContact OD1-N 3.15Å; K690-K692 PolarHBondContact O-N 3.36Å; K690-V693 WeakPolarHBondContact O-CB 3.33Å; K690-V693 WeakPolarHBondContact O-CG2 3.39Å; K690-V693 PolarHBondContact O-N 3.29Å |
| 691 | T | 91.9 | Very high | 91.7 | Very high | 122 Ų | 122 | 64.2 Ų | 64.2 | 75% | 0.748 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -69.3 | -19 | 176.9 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | V689 | V689-T691 PolarHBondContact O-N 3.11Å; V689-T691 VanDerWaalsContact O-N 3.07Å |
| 692 | K | 92.2 | Very high | 91.3 | Very high | 74 Ų | 74 | 68.5 Ų | 68.5 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -92.1 | -4.7 | 179.2 | -62.7 | -172 | 176.8 | -172.9 | 0 | 113.6 | F678 V689 K690 L695 L696 F711 A715 | F678-K692 HydrophobicContact CE1-CB 4.19Å; F678-K692 HydrophobicContact CZ-CB 4.3Å; V689-K692 WeakPolarHBondContact O-CB 3.49Å; V689-K692 PolarHBondContact O-N 2.89Å; K690-K692 PolarHBondContact O-N 3.36Å; K692-L695 PolarHBondContact O-N 2.84Å; K692-L696 PolarHBondContact O-N 3.48Å; K692-L696 VanDerWaalsContact O-N 3.16Å; K692-F711 HydrophobicContact CB-CZ 4.38Å; K692-A715 HydrophobicContact CD-CB 4.21Å; K692-A715 PolarHBondContact NZ-OXT 3.13Å |
| 693 | V | 92.3 | Very high | 91 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 16% | 0.164 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 179.7 | 173.5 | 0 | 0 | 0 | 0 | 112.7 | T675 I679 K690 L695 L696 L697 | T675-V693 HydrophobicContact CG2-CG1 3.69Å; T675-V693 HydrophobicContact CG2-CG2 4.05Å; I679-V693 HydrophobicContact CD1-CG2 4.16Å; I679-V693 HydrophobicContact CG1-CG2 4.34Å; K690-V693 WeakPolarHBondContact O-CB 3.33Å; K690-V693 WeakPolarHBondContact O-CG2 3.39Å; K690-V693 PolarHBondContact O-N 3.29Å; V693-L695 VanDerWaalsContact C-N 3.29Å; V693-L695 PolarHBondContact O-N 3.08Å; V693-L696 WeakPolarHBondContact O-CB 3.18Å; V693-L696 PolarHBondContact O-N 3.45Å; V693-L696 VanDerWaalsContact O-N 3.1Å; V693-L697 HydrophobicContact CG1-CD1 4.4Å; V693-L697 HydrophobicContact CG1-CG 4.49Å; V693-L697 WeakPolarHBondContact O-CG 3.28Å; V693-L697 PolarHBondContact O-N 3.02Å |
| 694 | P | 93.8 | Very high | 90.9 | Very high | 75 Ų | 75 | 70.3 Ų | 70.3 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | 176.6 | -25.4 | 35.9 | 0 | 0 | 0 | 113.4 | L696 L697 E698 | P694-L696 VanDerWaalsContact C-N 3.34Å; P694-L697 PolarHBondContact O-N 3.38Å; P694-E698 PolarHBondContact O-N 2.93Å |
| 695 | L | 93.1 | Very high | 90.8 | Very high | 91 Ų | 91 | 72.1 Ų | 72.1 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 176.9 | -69.1 | 90 | 0 | 0 | 0 | 111.8 | K692 V693 L697 E698 I699 F711 | K692-L695 PolarHBondContact O-N 2.84Å; V693-L695 VanDerWaalsContact C-N 3.29Å; V693-L695 PolarHBondContact O-N 3.08Å; L695-L697 VanDerWaalsContact C-N 3.33Å; L695-E698 PolarHBondContact O-N 2.64Å; L695-I699 WeakPolarHBondContact O-CG1 3.26Å; L695-I699 PolarHBondContact O-N 3.48Å; L695-F711 HydrophobicContact CB-CE2 4.25Å; L695-F711 HydrophobicContact CB-CZ 4.19Å |
| 696 | L | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 174.1 | 178.4 | 63.7 | 0 | 0 | 0 | 111.1 | I674 F678 K692 V693 P694 E698 I699 L700 L708 F711 F712 | I674-L696 HydrophobicContact CG2-CD1 4.49Å; I674-L696 HydrophobicContact CG2-CD2 4.4Å; F678-L696 HydrophobicContact CB-CD2 3.82Å; F678-L696 HydrophobicContact CD1-CD2 4.14Å; F678-L696 HydrophobicContact CG-CD2 3.93Å; K692-L696 PolarHBondContact O-N 3.48Å; K692-L696 VanDerWaalsContact O-N 3.16Å; V693-L696 WeakPolarHBondContact O-CB 3.18Å; V693-L696 PolarHBondContact O-N 3.45Å; V693-L696 VanDerWaalsContact O-N 3.1Å; P694-L696 VanDerWaalsContact C-N 3.34Å; L696-E698 PolarHBondContact O-N 3.31Å; L696-I699 PolarHBondContact O-N 2.97Å; L696-L700 HydrophobicContact CG-CD1 4.28Å; L696-L700 WeakPolarHBondContact O-CG 3.45Å; L696-L700 PolarHBondContact O-N 3.01Å; L696-L708 HydrophobicContact CD1-CD1 3.57Å; L696-F711 HydrophobicContact CB-CE1 3.89Å; L696-F711 HydrophobicContact CB-CZ 4.4Å; L696-F711 HydrophobicContact CD1-CD1 3.9Å; L696-F711 HydrophobicContact CD1-CE1 3.96Å; L696-F711 HydrophobicContact CG-CE1 4.47Å; L696-F712 HydrophobicContact CD1-CE2 3.99Å |
| 697 | L | 91.9 | Very high | 91 | Very high | 66 Ų | 66 | 71.2 Ų | 71.2 | 35% | 0.346 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.7 | -64.9 | 174.5 | 0 | 0 | 0 | 111.7 | Y671 V693 P694 L695 I699 L700 D701 | Y671-L697 HydrophobicContact CD2-CD2 4.36Å; V693-L697 HydrophobicContact CG1-CD1 4.4Å; V693-L697 HydrophobicContact CG1-CG 4.49Å; V693-L697 WeakPolarHBondContact O-CG 3.28Å; V693-L697 PolarHBondContact O-N 3.02Å; P694-L697 PolarHBondContact O-N 3.38Å; L695-L697 VanDerWaalsContact C-N 3.33Å; L697-I699 VanDerWaalsContact C-N 3.3Å; L697-I699 PolarHBondContact O-N 3.01Å; L697-L700 HydrophobicContact CD2-CD1 4.46Å; L697-L700 PolarHBondContact O-N 3.47Å; L697-L700 VanDerWaalsContact O-N 3.1Å; L697-D701 PolarHBondContact O-N 3.29Å |
| 698 | E | 91.7 | Very high | 91.1 | Very high | 137 Ų | 137 | 68.3 Ų | 68.3 | 64% | 0.64 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61 | -37.5 | 174.1 | -69.5 | 178.9 | 179.9 | 0 | 0 | 112.7 | P694 L695 L696 D701 S702 | P694-E698 PolarHBondContact O-N 2.93Å; L695-E698 PolarHBondContact O-N 2.64Å; L696-E698 PolarHBondContact O-N 3.31Å; E698-D701 PolarHBondContact O-N 3.29Å; E698-S702 PolarHBondContact O-N 3.41Å; E698-S702 VanDerWaalsContact O-N 3.16Å; E698-S702 PolarHBondContact O-OG 3.01Å |
| 699 | I | 92.1 | Very high | 91.1 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.8 | -37 | 174.9 | -66.1 | 167.6 | 0 | 0 | 0 | 110.8 | L695 L696 L697 S702 Y703 L708 F711 | L695-I699 WeakPolarHBondContact O-CG1 3.26Å; L695-I699 PolarHBondContact O-N 3.48Å; L696-I699 PolarHBondContact O-N 2.97Å; L697-I699 VanDerWaalsContact C-N 3.3Å; L697-I699 PolarHBondContact O-N 3.01Å; I699-S702 PolarHBondContact O-OG 3.45Å; I699-Y703 VanDerWaalsContact O-CA 3.25Å; I699-Y703 WeakPolarHBondContact O-CA 3.49Å; I699-Y703 PolarHBondContact O-N 3.39Å; I699-L708 HydrophobicContact CG2-CB 4.26Å; I699-L708 HydrophobicContact CG2-CD1 4.15Å; I699-F711 HydrophobicContact CD1-CB 3.79Å; I699-F711 HydrophobicContact CD1-CD1 4.14Å; I699-F711 HydrophobicContact CD1-CD2 3.32Å; I699-F711 HydrophobicContact CD1-CE2 3.84Å; I699-F711 HydrophobicContact CD1-CG 3.48Å; I699-F711 VanDerWaalsContact CD1-CG 3.48Å; I699-F711 HydrophobicContact CD1-CZ 4.43Å |
| 700 | L | 90.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.3 | -34.3 | 176.5 | -70.9 | 174.8 | 0 | 0 | 0 | 112.3 | L613 Y671 I674 L696 L697 Y703 L708 | L613-L700 HydrophobicContact CD1-CD2 4.31Å; Y671-L700 HydrophobicContact CD1-CB 4.25Å; Y671-L700 HydrophobicContact CD1-CD1 3.98Å; Y671-L700 HydrophobicContact CE1-CB 3.84Å; Y671-L700 HydrophobicContact CE1-CD1 4.42Å; Y671-L700 HydrophobicContact CE2-CB 4.17Å; Y671-L700 HydrophobicContact CG-CD1 4.05Å; Y671-L700 PolarHBondContact OH-O 2.95Å; Y671-L700 VanDerWaalsContact OH-O 3.12Å; I674-L700 HydrophobicContact CB-CD1 4.37Å; I674-L700 HydrophobicContact CD1-CD1 4.47Å; I674-L700 HydrophobicContact CD1-CD2 3.71Å; I674-L700 HydrophobicContact CG2-CD1 4.2Å; I674-L700 HydrophobicContact CG2-CD2 4.26Å; L696-L700 HydrophobicContact CG-CD1 4.28Å; L696-L700 WeakPolarHBondContact O-CG 3.45Å; L696-L700 PolarHBondContact O-N 3.01Å; L697-L700 HydrophobicContact CD2-CD1 4.46Å; L697-L700 PolarHBondContact O-N 3.47Å; L697-L700 VanDerWaalsContact O-N 3.1Å; L700-Y703 WeakPolarHBondContact O-CB 3.3Å; L700-Y703 PolarHBondContact O-N 3.14Å; L700-L708 HydrophobicContact CD2-CD1 4.04Å; L700-L708 HydrophobicContact CD2-CD2 4.06Å |
| 701 | D | 86 | Confident | 91.4 | Very high | 110 Ų | 110 | 61.8 Ų | 61.8 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -70.4 | -37.8 | 176.9 | -71.7 | -21.2 | 0 | 0 | 0 | 112.9 | Y671 L697 E698 | Y671-D701 WeakPolarHBondContact CE2-OD1 3.48Å; Y671-D701 PolarHBondContact OH-OD1 2.95Å; L697-D701 PolarHBondContact O-N 3.29Å; E698-D701 PolarHBondContact O-N 3.29Å |
| 702 | S | 84.9 | Confident | 91.4 | Very high | 94 Ų | 94 | 56 Ų | 56 | 66% | 0.657 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -80.8 | -21 | 173.8 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | E698 I699 | E698-S702 PolarHBondContact O-N 3.41Å; E698-S702 VanDerWaalsContact O-N 3.16Å; E698-S702 PolarHBondContact O-OG 3.01Å; I699-S702 PolarHBondContact O-OG 3.45Å |
| 703 | Y | 88.3 | Confident | 91.2 | Very high | 40 Ų | 40 | 56.4 Ų | 56.4 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 32.7 | 93.5 | -178 | -165.5 | -113.8 | 0 | 0 | 0 | 116.1 | H610 L613 E614 L617 I699 L700 L708 | H610-Y703 VanDerWaalsContact CA-OH 3.3Å; H610-Y703 WeakPolarHBondContact CA-OH 3.48Å; H610-Y703 AromaticContact ND1-CE1 3.86Å; H610-Y703 AromaticContact ND1-CZ 3.58Å; H610-Y703 PolarHBondContact ND1-OH 3.13Å; H610-Y703 PolarHBondContact O-OH 3.41Å; L613-Y703 HydrophobicContact CB-CE1 4.44Å; L613-Y703 HydrophobicContact CB-CE2 4.16Å; L613-Y703 HydrophobicContact CD1-CD2 4.16Å; L613-Y703 HydrophobicContact CD1-CE2 3.5Å; L613-Y703 VanDerWaalsContact CD1-CE2 3.5Å; E614-Y703 HydrophobicContact CB-CE1 4.48Å; L617-Y703 VanDerWaalsContact CD1-CB 3.46Å; L617-Y703 HydrophobicContact CD1-CD1 3.47Å; L617-Y703 VanDerWaalsContact CD1-CD1 3.47Å; L617-Y703 HydrophobicContact CD1-CD2 4.38Å; L617-Y703 HydrophobicContact CD1-CE1 4.25Å; L617-Y703 HydrophobicContact CD1-CG 3.51Å; I699-Y703 VanDerWaalsContact O-CA 3.25Å; I699-Y703 WeakPolarHBondContact O-CA 3.49Å; I699-Y703 PolarHBondContact O-N 3.39Å; L700-Y703 WeakPolarHBondContact O-CB 3.3Å; L700-Y703 PolarHBondContact O-N 3.14Å; Y703-L708 HydrophobicContact CE2-CD2 4.33Å |
| 704 | D | 90.1 | Very high | 90.7 | Very high | 81 Ų | 81 | 59.3 Ų | 59.3 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | trans | -122.4 | 124.2 | 160.3 | 179.1 | -77.5 | 0 | 0 | 0 | 109.6 | N706 A707 L708 | D704-N706 VanDerWaalsContact C-N 3.34Å; D704-N706 PolarHBondContact O-N 3.48Å; D704-N706 WeakPolarHBondContact OD1-CA 3.11Å; D704-N706 WeakPolarHBondContact OD1-CB 3.48Å; D704-N706 PolarHBondContact OD1-N 2.94Å; D704-A707 HydrophobicContact CB-CB 3.85Å; D704-A707 PolarHBondContact O-N 3.04Å; D704-A707 PolarHBondContact OD1-N 3.32Å; D704-L708 WeakPolarHBondContact O-CB 3.5Å; D704-L708 PolarHBondContact O-N 3.44Å | ||
| 705 | Q | 90.2 | Very high | 89.6 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 25% | 0.248 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | -175 | -172.8 | -172.8 | 12.5 | 0 | 0 | 112.5 | H610 L708 I709 | H610-Q705 PolarHBondContact CE1-OE1 3.11Å; Q705-L708 PolarHBondContact O-N 2.92Å; Q705-I709 HydrophobicContact CG-CD1 4.14Å; Q705-I709 WeakPolarHBondContact O-CG1 3.15Å; Q705-I709 PolarHBondContact O-N 3.34Å |
| 706 | N | 91.6 | Very high | 89.4 | Confident | 111 Ų | 111 | 56.1 Ų | 56.1 | 59% | 0.594 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -72.8 | -38.5 | -177.9 | -64.7 | -49.7 | 0 | 0 | 0 | 110.8 | D704 I709 S710 | D704-N706 VanDerWaalsContact C-N 3.34Å; D704-N706 PolarHBondContact O-N 3.48Å; D704-N706 WeakPolarHBondContact OD1-CA 3.11Å; D704-N706 WeakPolarHBondContact OD1-CB 3.48Å; D704-N706 PolarHBondContact OD1-N 2.94Å; N706-I709 PolarHBondContact O-N 3.07Å; N706-S710 VanDerWaalsContact O-CB 3.24Å; N706-S710 WeakPolarHBondContact O-CB 3.44Å; N706-S710 PolarHBondContact O-N 3.44Å; N706-S710 PolarHBondContact O-OG 3.43Å |
| 707 | A | 92.8 | Very high | 89.2 | Confident | 44 Ų | 44 | 59 Ų | 59 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D704 S710 F711 | D704-A707 HydrophobicContact CB-CB 3.85Å; D704-A707 PolarHBondContact O-N 3.04Å; D704-A707 PolarHBondContact OD1-N 3.32Å; A707-S710 PolarHBondContact O-N 3.26Å; A707-F711 WeakPolarHBondContact O-CB 3.28Å; A707-F711 PolarHBondContact O-N 3.16Å |
| 708 | L | 93.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 176 | -176.9 | 63.6 | 0 | 0 | 0 | 111.4 | L606 L696 I699 L700 Y703 D704 Q705 S710 F711 F712 | L606-L708 HydrophobicContact CD2-CD2 4.15Å; L696-L708 HydrophobicContact CD1-CD1 3.57Å; I699-L708 HydrophobicContact CG2-CB 4.26Å; I699-L708 HydrophobicContact CG2-CD1 4.15Å; L700-L708 HydrophobicContact CD2-CD1 4.04Å; L700-L708 HydrophobicContact CD2-CD2 4.06Å; Y703-L708 HydrophobicContact CE2-CD2 4.33Å; D704-L708 WeakPolarHBondContact O-CB 3.5Å; D704-L708 PolarHBondContact O-N 3.44Å; Q705-L708 PolarHBondContact O-N 2.92Å; L708-S710 VanDerWaalsContact C-N 3.33Å; L708-S710 PolarHBondContact O-N 2.97Å; L708-F711 WeakPolarHBondContact O-CB 3.45Å; L708-F711 PolarHBondContact O-N 3.41Å; L708-F712 HydrophobicContact CD1-CD2 4.07Å; L708-F712 HydrophobicContact CD1-CE2 3.81Å; L708-F712 HydrophobicContact CG-CD2 4.32Å; L708-F712 HydrophobicContact CG-CE2 4.27Å; L708-F712 WeakPolarHBondContact O-CD2 3.46Å; L708-F712 PolarHBondContact O-N 2.99Å |
| 709 | I | 92.4 | Very high | 88.9 | Confident | 26 Ų | 26 | 54 Ų | 54 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | 177.1 | -68.1 | 168.7 | 0 | 0 | 0 | 110.5 | Q603 L606 Q705 N706 F711 F712 D713 | Q603-I709 HydrophobicContact CG-CG2 4.26Å; L606-I709 HydrophobicContact CD1-CG1 4.04Å; Q705-I709 HydrophobicContact CG-CD1 4.14Å; Q705-I709 WeakPolarHBondContact O-CG1 3.15Å; Q705-I709 PolarHBondContact O-N 3.34Å; N706-I709 PolarHBondContact O-N 3.07Å; I709-F711 VanDerWaalsContact C-N 3.28Å; I709-F711 PolarHBondContact O-N 2.83Å; I709-F712 WeakPolarHBondContact O-CB 3.34Å; I709-F712 PolarHBondContact O-N 2.91Å; I709-F712 VanDerWaalsContact O-N 3.14Å; I709-D713 PolarHBondContact O-N 3.06Å |
| 710 | S | 92.7 | Very high | 88.7 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 178.1 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | N706 A707 L708 D713 A714 | N706-S710 VanDerWaalsContact O-CB 3.24Å; N706-S710 WeakPolarHBondContact O-CB 3.44Å; N706-S710 PolarHBondContact O-N 3.44Å; N706-S710 PolarHBondContact O-OG 3.43Å; A707-S710 PolarHBondContact O-N 3.26Å; L708-S710 VanDerWaalsContact C-N 3.33Å; L708-S710 PolarHBondContact O-N 2.97Å; S710-D713 PolarHBondContact O-N 3.37Å; S710-A714 WeakPolarHBondContact O-CB 3.26Å; S710-A714 PolarHBondContact O-N 2.9Å |
| 711 | F | 93.5 | Very high | 88.6 | Confident | 34 Ų | 34 | 59 Ų | 59 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 175.4 | -176.4 | -96.1 | 0 | 0 | 0 | 111.8 | F678 K692 L695 L696 I699 A707 L708 I709 D713 A715 | F678-F711 HydrophobicContact CD2-CD1 4.45Å; F678-F711 HydrophobicContact CD2-CE1 4.26Å; F678-F711 HydrophobicContact CE1-CE1 4.35Å; F678-F711 AromaticContact CE2-CD1 3.82Å; F678-F711 HydrophobicContact CE2-CD1 3.82Å; F678-F711 AromaticContact CE2-CE1 3.49Å; F678-F711 HydrophobicContact CE2-CE1 3.49Å; F678-F711 VanDerWaalsContact CE2-CE1 3.49Å; F678-F711 HydrophobicContact CE2-CZ 4.48Å; F678-F711 HydrophobicContact CZ-CD1 4.34Å; F678-F711 AromaticContact CZ-CE1 3.56Å; F678-F711 HydrophobicContact CZ-CE1 3.56Å; F678-F711 HydrophobicContact CZ-CZ 4.2Å; K692-F711 HydrophobicContact CB-CZ 4.38Å; L695-F711 HydrophobicContact CB-CE2 4.25Å; L695-F711 HydrophobicContact CB-CZ 4.19Å; L696-F711 HydrophobicContact CB-CE1 3.89Å; L696-F711 HydrophobicContact CB-CZ 4.4Å; L696-F711 HydrophobicContact CD1-CD1 3.9Å; L696-F711 HydrophobicContact CD1-CE1 3.96Å; L696-F711 HydrophobicContact CG-CE1 4.47Å; I699-F711 HydrophobicContact CD1-CB 3.79Å; I699-F711 HydrophobicContact CD1-CD1 4.14Å; I699-F711 HydrophobicContact CD1-CD2 3.32Å; I699-F711 HydrophobicContact CD1-CE2 3.84Å; I699-F711 HydrophobicContact CD1-CG 3.48Å; I699-F711 VanDerWaalsContact CD1-CG 3.48Å; I699-F711 HydrophobicContact CD1-CZ 4.43Å; A707-F711 WeakPolarHBondContact O-CB 3.28Å; A707-F711 PolarHBondContact O-N 3.16Å; L708-F711 WeakPolarHBondContact O-CB 3.45Å; L708-F711 PolarHBondContact O-N 3.41Å; I709-F711 VanDerWaalsContact C-N 3.28Å; I709-F711 PolarHBondContact O-N 2.83Å; F711-D713 VanDerWaalsContact C-N 3.26Å; F711-D713 PolarHBondContact O-N 3.25Å; F711-A715 WeakPolarHBondContact O-CB 3.33Å; F711-A715 PolarHBondContact O-N 2.67Å; F711-A715 VanDerWaalsContact O-N 3.08Å |
| 712 | F | 92.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 174.3 | -93.4 | -106.4 | 0 | 0 | 0 | 112.6 | V602 L606 I674 L677 F678 K681 L696 L708 I709 | V602-F712 HydrophobicContact CG1-CD1 3.56Å; V602-F712 HydrophobicContact CG1-CE1 3.99Å; V602-F712 HydrophobicContact CG1-CG 4.45Å; L606-F712 HydrophobicContact CD1-CB 4.41Å; L606-F712 HydrophobicContact CD1-CD1 4.23Å; L606-F712 HydrophobicContact CD1-CD2 4.06Å; L606-F712 HydrophobicContact CD1-CE1 4.49Å; L606-F712 HydrophobicContact CD1-CE2 4.34Å; L606-F712 HydrophobicContact CD1-CG 3.98Å; L606-F712 HydrophobicContact CD2-CE2 4.18Å; L606-F712 HydrophobicContact CD2-CZ 4.1Å; I674-F712 HydrophobicContact CG2-CE2 3.92Å; I674-F712 HydrophobicContact CG2-CZ 3.82Å; L677-F712 HydrophobicContact CD2-CE1 4.21Å; L677-F712 HydrophobicContact CD2-CZ 4.47Å; L677-F712 HydrophobicContact CG-CE1 4.2Å; F678-F712 HydrophobicContact CB-CE1 3.77Å; F678-F712 HydrophobicContact CB-CE2 4.31Å; F678-F712 HydrophobicContact CB-CZ 3.6Å; F678-F712 HydrophobicContact CD2-CD1 4.04Å; F678-F712 HydrophobicContact CD2-CD2 4.15Å; F678-F712 AromaticContact CD2-CE1 4Å; F678-F712 HydrophobicContact CD2-CE1 4Å; F678-F712 HydrophobicContact CD2-CE2 4.09Å; F678-F712 HydrophobicContact CD2-CG 4.15Å; F678-F712 HydrophobicContact CD2-CZ 4.03Å; F678-F712 HydrophobicContact CG-CE1 4.4Å; F678-F712 HydrophobicContact CG-CZ 4.3Å; K681-F712 HydrophobicContact CD-CD1 4.11Å; K681-F712 PolarHBondContact NZ-O 3.08Å; L696-F712 HydrophobicContact CD1-CE2 3.99Å; L708-F712 HydrophobicContact CD1-CD2 4.07Å; L708-F712 HydrophobicContact CD1-CE2 3.81Å; L708-F712 HydrophobicContact CG-CD2 4.32Å; L708-F712 HydrophobicContact CG-CE2 4.27Å; L708-F712 WeakPolarHBondContact O-CD2 3.46Å; L708-F712 PolarHBondContact O-N 2.99Å; I709-F712 WeakPolarHBondContact O-CB 3.34Å; I709-F712 PolarHBondContact O-N 2.91Å; I709-F712 VanDerWaalsContact O-N 3.14Å |
| 713 | D | 88 | Confident | 89.1 | Confident | 82 Ų | 82 | 52.4 Ų | 52.4 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -87 | -27 | -176.7 | -69.8 | -18.3 | 0 | 0 | 0 | 113.4 | Q603 K681 I709 S710 F711 | Q603-D713 PolarHBondContact NE2-OD2 2.84Å; K681-D713 IonicContact NZ-OD1 3.36Å; K681-D713 PolarHBondContact NZ-OD1 3.22Å; I709-D713 PolarHBondContact O-N 3.06Å; S710-D713 PolarHBondContact O-N 3.37Å; F711-D713 VanDerWaalsContact C-N 3.26Å; F711-D713 PolarHBondContact O-N 3.25Å |
| 714 | A | 83.2 | Confident | 89.1 | Confident | 89 Ų | 89 | 53.4 Ų | 53.4 | 74% | 0.736 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -95.2 | -20.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S710 | S710-A714 WeakPolarHBondContact O-CB 3.26Å; S710-A714 PolarHBondContact O-N 2.9Å |
| 715 | A | 69.7 | Low | 89 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 34% | 0.339 | 32% | 0.322 | S | S | . | . | trans | -70.4 | 0 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F678 F682 K692 F711 | F678-A715 HydrophobicContact CE2-CB 3.82Å; F678-A715 HydrophobicContact CZ-CB 3.79Å; F682-A715 WeakPolarHBondContact CE1-O 3.38Å; F682-A715 HydrophobicContact CE2-CB 4.07Å; F682-A715 HydrophobicContact CZ-CB 3.77Å; F682-A715 WeakPolarHBondContact CZ-O 3.46Å; K692-A715 HydrophobicContact CD-CB 4.21Å; K692-A715 PolarHBondContact NZ-OXT 3.13Å; F711-A715 WeakPolarHBondContact O-CB 3.33Å; F711-A715 PolarHBondContact O-N 2.67Å; F711-A715 VanDerWaalsContact O-N 3.08Å |
Retrieved 715 of 715 residues in 571.9 ms
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