| 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 | 96.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | 0 | 162.7 | 0 | -56.6 | 172.8 | -71.9 | 0 | 0 | 109.3 | W7 I8 D9 S10 Q31 A33 D37 P228 | M1-W7 WeakPolarHBondContact O-CA 3.45Å; M1-W7 VanDerWaalsContact O-CE3 3.28Å; M1-I8 PolarHBondContact N-O 2.82Å; M1-I8 PolarHBondContact O-N 3.41Å; M1-D9 VanDerWaalsContact CE-C 3.45Å; M1-D9 WeakPolarHBondContact CE-O 3.3Å; M1-S10 VanDerWaalsContact CE-CA 3.49Å; M1-Q31 HydrophobicContact CG-CB 4.03Å; M1-A33 HydrophobicContact CG-CB 4.43Å; M1-A33 HydrophobicContact SD-CB 3.41Å; M1-A33 WeakPolarHBondContact SD-CB 3.33Å; M1-D37 HydrophobicContact CE-CB 3.98Å; M1-D37 HydrophobicContact SD-CB 3.76Å; M1-P228 HydrophobicContact CG-CG 4.29Å | |||
| 2 | F | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 107.2 | 177.4 | -178.8 | -99.2 | 0 | 0 | 0 | 109.7 | N5 E6 W7 G184 A188 N225 I226 | F2-N5 HydrophobicContact CZ-CB 4.25Å; F2-E6 WeakPolarHBondContact CA-O 3.31Å; F2-W7 HydrophobicContact CB-CE3 4.25Å; F2-W7 HydrophobicContact CB-CH2 4.21Å; F2-W7 HydrophobicContact CB-CZ3 3.91Å; F2-W7 HydrophobicContact CD2-CD2 4.36Å; F2-W7 HydrophobicContact CD2-CH2 4.33Å; F2-W7 HydrophobicContact CD2-CZ2 4.12Å; F2-G184 WeakPolarHBondContact CE2-O 3.43Å; F2-G184 WeakPolarHBondContact CZ-O 3.36Å; F2-A188 HydrophobicContact CE2-CB 3.94Å; F2-A188 HydrophobicContact CZ-CB 3.99Å; F2-N225 CarbonylContact O-C 3.56Å; F2-N225 WeakPolarHBondContact O-CA 3.35Å; F2-I226 HydrophobicContact CB-CB 4.2Å; F2-I226 HydrophobicContact CB-CG1 4.47Å; F2-I226 HydrophobicContact CD1-CG1 4.36Å; F2-I226 PolarHBondContact N-O 2.67Å; F2-I226 PolarHBondContact O-N 3.44Å |
| 3 | I | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 134 | -176.8 | -61.7 | 173.2 | 0 | 0 | 0 | 107.8 | N5 E6 I8 K40 A41 A44 V227 | I3-N5 VanDerWaalsContact C-N 3.26Å; I3-N5 PolarHBondContact O-N 3.01Å; I3-E6 PolarHBondContact N-O 3.25Å; I3-E6 PolarHBondContact O-N 3.34Å; I3-I8 HydrophobicContact CB-CD1 3.86Å; I3-I8 HydrophobicContact CB-CG1 4.48Å; I3-I8 HydrophobicContact CG2-CD1 4.34Å; I3-K40 HydrophobicContact CG2-CG 4.32Å; I3-A41 HydrophobicContact CD1-CB 4.07Å; I3-A41 HydrophobicContact CG1-CB 4.13Å; I3-A41 HydrophobicContact CG2-CB 4.42Å; I3-A44 HydrophobicContact CG2-CB 4.3Å; I3-V227 HydrophobicContact CD1-CG1 4.07Å; I3-V227 HydrophobicContact CG1-CG1 4.29Å |
| 4 | D | 95.1 | Very high | 96.6 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 36.1 | 177.5 | -151.2 | 29.4 | 0 | 0 | 0 | 114.2 | E6 A44 P221 G222 N225 | D4-E6 PolarHBondContact O-N 3.41Å; D4-A44 HydrophobicContact CB-CB 4.19Å; D4-P221 WeakPolarHBondContact OD1-CA 3.44Å; D4-P221 WeakPolarHBondContact OD1-CB 3.46Å; D4-G222 PolarHBondContact OD1-N 3.44Å; D4-N225 PolarHBondContact N-OD1 2.8Å; D4-N225 VanDerWaalsContact N-OD1 3.16Å |
| 5 | N | 93.6 | Very high | 96.7 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 16.1 | -171.3 | -67.6 | -7.6 | 0 | 0 | 0 | 115.6 | F2 I3 F219 P221 | F2-N5 HydrophobicContact CZ-CB 4.25Å; I3-N5 VanDerWaalsContact C-N 3.26Å; I3-N5 PolarHBondContact O-N 3.01Å; N5-F219 PolarHBondContact ND2-O 3.05Å; N5-F219 VanDerWaalsContact ND2-O 3.09Å; N5-P221 HydrophobicContact CB-CB 4.5Å |
| 6 | E | 95.2 | Very high | 96.8 | Very high | 124 Ų | 124 | 51.6 Ų | 51.6 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 153.4 | 177.7 | -62.7 | -172.1 | 159.7 | 0 | 0 | 112.4 | F2 I3 D4 I8 | F2-E6 WeakPolarHBondContact CA-O 3.31Å; I3-E6 PolarHBondContact N-O 3.25Å; I3-E6 PolarHBondContact O-N 3.34Å; D4-E6 PolarHBondContact O-N 3.41Å; E6-I8 HydrophobicContact CB-CD1 4.43Å; E6-I8 HydrophobicContact CB-CG1 4.2Å |
| 7 | W | 97.3 | Very high | 96.9 | Very high | 145 Ų | 145 | 51.1 Ų | 51.1 | 55% | 0.549 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 119.7 | 170.4 | -68.2 | 107.4 | 0 | 0 | 0 | 109.8 | M1 F2 L181 | M1-W7 WeakPolarHBondContact O-CA 3.45Å; M1-W7 VanDerWaalsContact O-CE3 3.28Å; F2-W7 HydrophobicContact CB-CE3 4.25Å; F2-W7 HydrophobicContact CB-CH2 4.21Å; F2-W7 HydrophobicContact CB-CZ3 3.91Å; F2-W7 HydrophobicContact CD2-CD2 4.36Å; F2-W7 HydrophobicContact CD2-CH2 4.33Å; F2-W7 HydrophobicContact CD2-CZ2 4.12Å; W7-L181 HydrophobicContact CH2-CB 4.17Å; W7-L181 HydrophobicContact CH2-CD2 4.49Å; W7-L181 WeakPolarHBondContact CH2-O 3.49Å; W7-L181 HydrophobicContact CZ3-CB 4.41Å; W7-L181 HydrophobicContact CZ3-CD2 4.01Å |
| 8 | I | 96.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | trans | -128.9 | 137.7 | -173.6 | -40.9 | -170.8 | 0 | 0 | 0 | 109.9 | M1 I3 E6 K40 | M1-I8 PolarHBondContact N-O 2.82Å; M1-I8 PolarHBondContact O-N 3.41Å; I3-I8 HydrophobicContact CB-CD1 3.86Å; I3-I8 HydrophobicContact CB-CG1 4.48Å; I3-I8 HydrophobicContact CG2-CD1 4.34Å; E6-I8 HydrophobicContact CB-CD1 4.43Å; E6-I8 HydrophobicContact CB-CG1 4.2Å; I8-K40 HydrophobicContact CD1-CD 4.47Å | ||
| 9 | D | 97.7 | Very high | 97 | Very high | 109 Ų | 109 | 49.1 Ų | 49.1 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | trans | -73.3 | 158.7 | 169.4 | -67.3 | -30.4 | 0 | 0 | 0 | 111.7 | M1 Q31 | M1-D9 VanDerWaalsContact CE-C 3.45Å; M1-D9 WeakPolarHBondContact CE-O 3.3Å; D9-Q31 PolarHBondContact OD1-NE2 3.41Å | ||
| 10 | S | 97.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | trans | -62.4 | 143.4 | 176.4 | 53.6 | 0 | 0 | 0 | 0 | 110.8 | M1 D12 G13 S14 Q31 E32 | M1-S10 VanDerWaalsContact CE-CA 3.49Å; S10-D12 PolarHBondContact O-N 3.27Å; S10-D12 VanDerWaalsContact O-N 3.09Å; S10-G13 PolarHBondContact O-N 3.5Å; S10-G13 VanDerWaalsContact OG-CA 3.25Å; S10-G13 WeakPolarHBondContact OG-CA 3.38Å; S10-G13 PolarHBondContact OG-N 2.99Å; S10-S14 WeakPolarHBondContact CB-O 3.48Å; S10-S14 PolarHBondContact OG-N 3.06Å; S10-S14 PolarHBondContact OG-O 3.1Å; S10-Q31 PolarHBondContact OG-OE1 3.17Å; S10-E32 VanDerWaalsContact CB-O 3.26Å; S10-E32 WeakPolarHBondContact CB-O 3.24Å | ||
| 11 | A | 96.9 | Very high | 97.1 | Very high | 66 Ų | 66 | 45.6 Ų | 45.6 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | K36 D37 | A11-K36 HydrophobicContact CB-CB 4.01Å; A11-K36 HydrophobicContact CB-CD 4.38Å; A11-D37 VanDerWaalsContact CB-OD1 3.27Å; A11-D37 WeakPolarHBondContact CB-OD1 3.14Å; A11-D37 PolarHBondContact N-OD1 2.97Å |
| 12 | D | 96 | Very high | 97.2 | Very high | 89 Ų | 89 | 46 Ų | 46 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 2.7 | 174.8 | 72.7 | -9.9 | 0 | 0 | 0 | 113.8 | S10 S14 K34 | S10-D12 PolarHBondContact O-N 3.27Å; S10-D12 VanDerWaalsContact O-N 3.09Å; D12-S14 VanDerWaalsContact C-N 3.31Å; D12-S14 PolarHBondContact O-N 2.78Å; D12-S14 PolarHBondContact OD1-N 3.36Å; D12-S14 PolarHBondContact OD1-OG 3.15Å; D12-K34 IonicContact OD1-NZ 2.64Å; D12-K34 VanDerWaalsContact OD2-CD 3.31Å; D12-K34 WeakPolarHBondContact OD2-CD 3.4Å; D12-K34 WeakPolarHBondContact OD2-CE 3.4Å; D12-K34 IonicContact OD2-NZ 2.77Å; D12-K34 PolarHBondContact OD2-NZ 3.46Å |
| 13 | G | 96.7 | Very high | 97.2 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | trans | 75.3 | 8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S10 | S10-G13 PolarHBondContact O-N 3.5Å; S10-G13 VanDerWaalsContact OG-CA 3.25Å; S10-G13 WeakPolarHBondContact OG-CA 3.38Å; S10-G13 PolarHBondContact OG-N 2.99Å | ||
| 14 | S | 97.5 | Very high | 97.1 | Very high | 27 Ų | 27 | 49.8 Ų | 49.8 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | trans | -75.9 | 150 | 177.7 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | S10 D12 Q31 E32 K34 | S10-S14 WeakPolarHBondContact CB-O 3.48Å; S10-S14 PolarHBondContact OG-N 3.06Å; S10-S14 PolarHBondContact OG-O 3.1Å; D12-S14 VanDerWaalsContact C-N 3.31Å; D12-S14 PolarHBondContact O-N 2.78Å; D12-S14 PolarHBondContact OD1-N 3.36Å; D12-S14 PolarHBondContact OD1-OG 3.15Å; S14-Q31 PolarHBondContact O-OE1 3.18Å; S14-E32 WeakPolarHBondContact CB-OE2 3.33Å; S14-E32 PolarHBondContact O-N 3.39Å; S14-E32 WeakPolarHBondContact OG-CB 3.47Å; S14-E32 PolarHBondContact OG-OE2 2.92Å; S14-K34 VanDerWaalsContact OG-CE 3.24Å; S14-K34 WeakPolarHBondContact OG-CE 3.22Å; S14-K34 PolarHBondContact OG-NZ 3.34Å | ||
| 15 | S | 98.2 | Very high | 97.2 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159.4 | 176.2 | 60.2 | 0 | 0 | 0 | 0 | 110 | V30 | S15-V30 CarbonylContact C-O 3.57Å; S15-V30 WeakPolarHBondContact CA-O 3.4Å; S15-V30 VanDerWaalsContact CB-O 3.26Å; S15-V30 WeakPolarHBondContact CB-O 3.4Å |
| 16 | F | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 149.5 | 177.7 | 67.2 | -87.6 | 0 | 0 | 0 | 110.8 | Y29 V30 E32 E174 P177 P228 Y230 | F16-Y29 WeakPolarHBondContact O-CA 3.48Å; F16-V30 WeakPolarHBondContact CD1-O 3.46Å; F16-V30 HydrophobicContact CE1-CB 4Å; F16-V30 HydrophobicContact CE1-CG1 4.01Å; F16-V30 HydrophobicContact CE2-CB 4.21Å; F16-V30 HydrophobicContact CZ-CB 3.8Å; F16-V30 HydrophobicContact CZ-CG1 3.9Å; F16-V30 PolarHBondContact N-O 3.41Å; F16-V30 PolarHBondContact O-N 3Å; F16-E32 HydrophobicContact CD1-CB 3.83Å; F16-E32 HydrophobicContact CD1-CG 4.11Å; F16-E32 HydrophobicContact CE1-CB 4.5Å; F16-E174 HydrophobicContact CE2-CB 4.18Å; F16-E174 WeakPolarHBondContact CE2-O 3.4Å; F16-P177 HydrophobicContact CE2-CG 4.22Å; F16-P177 HydrophobicContact CZ-CB 4.46Å; F16-P177 HydrophobicContact CZ-CG 4.2Å; F16-P228 HydrophobicContact CE1-CB 4.19Å; F16-P228 HydrophobicContact CZ-CB 4.05Å; F16-Y230 HydrophobicContact CB-CE2 3.93Å; F16-Y230 HydrophobicContact CG-CE2 4.43Å |
| 17 | P | 98.3 | Very high | 97.6 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 29% | 0.286 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 136.1 | 176.5 | 31.2 | -33.1 | 0 | 0 | 0 | 110.8 | I26 C28 Y29 | P17-I26 HydrophobicContact CB-CD1 3.99Å; P17-I26 HydrophobicContact CB-CG1 3.99Å; P17-I26 HydrophobicContact CB-CG2 3.84Å; P17-C28 WeakPolarHBondContact CA-O 3.27Å; P17-Y29 HydrophobicContact CB-CD1 4.39Å; P17-Y29 HydrophobicContact CB-CE1 4.09Å; P17-Y29 HydrophobicContact CG-CE1 4.48Å |
| 18 | T | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 142.5 | 155.4 | 172.9 | 0 | 0 | 0 | 0 | 109.3 | I26 I27 C28 V30 D88 L178 | T18-I26 WeakPolarHBondContact O-CA 3.48Å; T18-I27 HydrophobicContact CG2-CB 4.03Å; T18-I27 PolarHBondContact O-N 2.85Å; T18-C28 WeakPolarHBondContact CG2-O 3.15Å; T18-C28 VanDerWaalsContact CG2-SG 3.51Å; T18-C28 PolarHBondContact N-O 3.03Å; T18-V30 HydrophobicContact CG2-CG2 4.35Å; T18-D88 PolarHBondContact OG1-OD1 3.47Å; T18-L178 HydrophobicContact CG2-CD1 4.15Å; T18-L178 HydrophobicContact CG2-CD2 4.01Å; T18-L178 HydrophobicContact CG2-CG 4.21Å |
| 19 | I | 98.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 32% | 0.323 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.5 | -168.7 | -61.2 | 172.9 | 0 | 0 | 0 | 109 | P21 D25 | I19-P21 VanDerWaalsContact O-CD 3.24Å; I19-P21 WeakPolarHBondContact O-CD 3.33Å; I19-D25 CarbonylContact C-O 3.57Å; I19-D25 WeakPolarHBondContact CA-O 3.26Å |
| 20 | N | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | trans | -72 | 114.3 | 171.4 | -179.5 | -18 | 0 | 0 | 0 | 109.1 | T22 T23 G24 D25 I27 L87 | N20-T22 PolarHBondContact O-N 3.43Å; N20-T22 VanDerWaalsContact O-N 3.11Å; N20-T22 WeakPolarHBondContact OD1-CB 3.49Å; N20-T22 PolarHBondContact OD1-N 2.74Å; N20-T22 PolarHBondContact OD1-OG1 3.1Å; N20-T23 PolarHBondContact O-N 2.79Å; N20-G24 WeakPolarHBondContact O-CA 3.38Å; N20-G24 PolarHBondContact O-N 3.12Å; N20-D25 PolarHBondContact N-O 2.83Å; N20-I27 HydrophobicContact CB-CD1 3.98Å; N20-I27 HydrophobicContact CB-CG1 3.76Å; N20-L87 WeakPolarHBondContact ND2-CD1 3.19Å | ||
| 21 | P | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -16.6 | -177.1 | 25.5 | -34.2 | 0 | 0 | 0 | 114.3 | I19 N89 P349 Q350 I351 G384 Y385 | I19-P21 VanDerWaalsContact O-CD 3.24Å; I19-P21 WeakPolarHBondContact O-CD 3.33Å; P21-N89 WeakPolarHBondContact CG-O 3.45Å; P21-P349 VanDerWaalsContact C-CG 3.49Å; P21-P349 HydrophobicContact CB-CB 4.2Å; P21-P349 HydrophobicContact CB-CG 3.69Å; P21-P349 HydrophobicContact CG-CG 3.93Å; P21-P349 VanDerWaalsContact O-CB 3.3Å; P21-P349 WeakPolarHBondContact O-CB 3.16Å; P21-P349 WeakPolarHBondContact O-CG 3.4Å; P21-Q350 VanDerWaalsContact CB-O 3.22Å; P21-Q350 WeakPolarHBondContact CB-O 3.47Å; P21-I351 WeakPolarHBondContact CB-O 3.26Å; P21-G384 CarbonylContact O-C 3.5Å; P21-G384 WeakPolarHBondContact O-CA 3.39Å; P21-Y385 HydrophobicContact CB-CD2 3.74Å; P21-Y385 HydrophobicContact CB-CE2 4.21Å; P21-Y385 PolarHBondContact O-N 2.91Å |
| 22 | T | 98.2 | Very high | 97.9 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -36.7 | -178.9 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | N20 P340 G384 F386 | N20-T22 PolarHBondContact O-N 3.43Å; N20-T22 VanDerWaalsContact O-N 3.11Å; N20-T22 WeakPolarHBondContact OD1-CB 3.49Å; N20-T22 PolarHBondContact OD1-N 2.74Å; N20-T22 PolarHBondContact OD1-OG1 3.1Å; T22-P340 HydrophobicContact CG2-CG 4.43Å; T22-P340 WeakPolarHBondContact OG1-CD 3.48Å; T22-P340 WeakPolarHBondContact OG1-CG 3.39Å; T22-G384 WeakPolarHBondContact O-CA 3.31Å; T22-G384 PolarHBondContact O-N 2.99Å; T22-F386 HydrophobicContact CG2-CE2 4.27Å; T22-F386 HydrophobicContact CG2-CZ 4.03Å |
| 23 | T | 97.1 | Very high | 98 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -26.8 | -175.6 | 67.9 | 0 | 0 | 0 | 0 | 113 | N20 D25 | N20-T23 PolarHBondContact O-N 2.79Å; T23-D25 VanDerWaalsContact C-N 3.3Å; T23-D25 WeakPolarHBondContact CB-OD2 3.17Å; T23-D25 WeakPolarHBondContact OG1-CB 3.27Å; T23-D25 VanDerWaalsContact OG1-CG 3.26Å; T23-D25 PolarHBondContact OG1-N 3.36Å; T23-D25 VanDerWaalsContact OG1-N 3.16Å; T23-D25 PolarHBondContact OG1-OD2 3.39Å |
| 24 | G | 96.4 | Very high | 98.1 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 32% | 0.32 | 23% | 0.228 | S | C | . | . | trans | 83.7 | 3.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N20 | N20-G24 WeakPolarHBondContact O-CA 3.38Å; N20-G24 PolarHBondContact O-N 3.12Å | ||
| 25 | D | 97.5 | Very high | 98.1 | Very high | 93 Ų | 93 | 44.6 Ų | 44.6 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | trans | -83.1 | 151.1 | -179.1 | -55.9 | -46.8 | 0 | 0 | 0 | 111.5 | I19 N20 T23 I27 | I19-D25 CarbonylContact C-O 3.57Å; I19-D25 WeakPolarHBondContact CA-O 3.26Å; N20-D25 PolarHBondContact N-O 2.83Å; T23-D25 VanDerWaalsContact C-N 3.3Å; T23-D25 WeakPolarHBondContact CB-OD2 3.17Å; T23-D25 WeakPolarHBondContact OG1-CB 3.27Å; T23-D25 VanDerWaalsContact OG1-CG 3.26Å; T23-D25 PolarHBondContact OG1-N 3.36Å; T23-D25 VanDerWaalsContact OG1-N 3.16Å; T23-D25 PolarHBondContact OG1-OD2 3.39Å; D25-I27 PolarHBondContact O-N 3.41Å | ||
| 26 | I | 98.3 | Very high | 98.1 | Very high | 85 Ų | 85 | 49.7 Ų | 49.7 | 44% | 0.436 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.3 | 173.3 | -61.5 | 173.8 | 0 | 0 | 0 | 108.9 | P17 T18 Y29 | P17-I26 HydrophobicContact CB-CD1 3.99Å; P17-I26 HydrophobicContact CB-CG1 3.99Å; P17-I26 HydrophobicContact CB-CG2 3.84Å; T18-I26 WeakPolarHBondContact O-CA 3.48Å; I26-Y29 HydrophobicContact CD1-CE2 4.36Å; I26-Y29 HydrophobicContact CG2-CD2 4.33Å; I26-Y29 HydrophobicContact CG2-CE2 4.03Å |
| 27 | I | 98.4 | Very high | 98.1 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 26% | 0.256 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -55.4 | 173.4 | -60.6 | 158.6 | 0 | 0 | 0 | 109.4 | T18 N20 D25 L87 L178 | T18-I27 HydrophobicContact CG2-CB 4.03Å; T18-I27 PolarHBondContact O-N 2.85Å; N20-I27 HydrophobicContact CB-CD1 3.98Å; N20-I27 HydrophobicContact CB-CG1 3.76Å; D25-I27 PolarHBondContact O-N 3.41Å; I27-L87 HydrophobicContact CD1-CG 3.93Å; I27-L87 HydrophobicContact CG1-CD1 4.47Å; I27-L87 HydrophobicContact CG1-CD2 4.5Å; I27-L87 HydrophobicContact CG1-CG 4.19Å; I27-L87 HydrophobicContact CG2-CD2 3.85Å; I27-L87 HydrophobicContact CG2-CG 4.42Å; I27-L178 HydrophobicContact CD1-CD1 4.47Å; I27-L178 HydrophobicContact CG2-CD1 4.05Å |
| 28 | C | 98.4 | Very high | 98.1 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 33% | 0.331 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 176.8 | 177 | 68.9 | 0 | 0 | 0 | 0 | 111 | P17 T18 | P17-C28 WeakPolarHBondContact CA-O 3.27Å; T18-C28 WeakPolarHBondContact CG2-O 3.15Å; T18-C28 VanDerWaalsContact CG2-SG 3.51Å; T18-C28 PolarHBondContact N-O 3.03Å |
| 29 | Y | 98.5 | Very high | 98.2 | Very high | 147 Ų | 147 | 50.7 Ų | 50.7 | 58% | 0.576 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 136.6 | 171.1 | -75.1 | -99.7 | 0 | 0 | 0 | 110.4 | F16 P17 I26 | F16-Y29 WeakPolarHBondContact O-CA 3.48Å; P17-Y29 HydrophobicContact CB-CD1 4.39Å; P17-Y29 HydrophobicContact CB-CE1 4.09Å; P17-Y29 HydrophobicContact CG-CE1 4.48Å; I26-Y29 HydrophobicContact CD1-CE2 4.36Å; I26-Y29 HydrophobicContact CG2-CD2 4.33Å; I26-Y29 HydrophobicContact CG2-CE2 4.03Å |
| 30 | V | 98.5 | Very high | 98.2 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 138.7 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | S15 F16 T18 E32 P177 L178 L181 P228 | S15-V30 CarbonylContact C-O 3.57Å; S15-V30 WeakPolarHBondContact CA-O 3.4Å; S15-V30 VanDerWaalsContact CB-O 3.26Å; S15-V30 WeakPolarHBondContact CB-O 3.4Å; F16-V30 WeakPolarHBondContact CD1-O 3.46Å; F16-V30 HydrophobicContact CE1-CB 4Å; F16-V30 HydrophobicContact CE1-CG1 4.01Å; F16-V30 HydrophobicContact CE2-CB 4.21Å; F16-V30 HydrophobicContact CZ-CB 3.8Å; F16-V30 HydrophobicContact CZ-CG1 3.9Å; F16-V30 PolarHBondContact N-O 3.41Å; F16-V30 PolarHBondContact O-N 3Å; T18-V30 HydrophobicContact CG2-CG2 4.35Å; V30-E32 PolarHBondContact O-N 3.35Å; V30-P177 HydrophobicContact CB-CG 4.42Å; V30-P177 HydrophobicContact CG1-CB 4.42Å; V30-P177 HydrophobicContact CG1-CG 4.4Å; V30-P177 HydrophobicContact CG2-CG 3.87Å; V30-L178 HydrophobicContact CG2-CD2 4.08Å; V30-L181 HydrophobicContact CG1-CD1 3.81Å; V30-L181 HydrophobicContact CG2-CD1 4.42Å; V30-P228 HydrophobicContact CG1-CB 3.86Å; V30-P228 HydrophobicContact CG1-CG 3.59Å |
| 31 | Q | 98.4 | Very high | 98.2 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 23% | 0.234 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 129.1 | 177.6 | -62.2 | -64.8 | -13.8 | 0 | 0 | 111 | M1 D9 S10 S14 | M1-Q31 HydrophobicContact CG-CB 4.03Å; D9-Q31 PolarHBondContact OD1-NE2 3.41Å; S10-Q31 PolarHBondContact OG-OE1 3.17Å; S14-Q31 PolarHBondContact O-OE1 3.18Å |
| 32 | E | 98.4 | Very high | 98.2 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | trans | -92.1 | 105 | -176.8 | -171.1 | -163.3 | 167.1 | 0 | 0 | 110.4 | S10 S14 F16 V30 K34 Y230 | S10-E32 VanDerWaalsContact CB-O 3.26Å; S10-E32 WeakPolarHBondContact CB-O 3.24Å; S14-E32 WeakPolarHBondContact CB-OE2 3.33Å; S14-E32 PolarHBondContact O-N 3.39Å; S14-E32 WeakPolarHBondContact OG-CB 3.47Å; S14-E32 PolarHBondContact OG-OE2 2.92Å; F16-E32 HydrophobicContact CD1-CB 3.83Å; F16-E32 HydrophobicContact CD1-CG 4.11Å; F16-E32 HydrophobicContact CE1-CB 4.5Å; V30-E32 PolarHBondContact O-N 3.35Å; E32-K34 VanDerWaalsContact CD-CE 3.46Å; E32-K34 WeakPolarHBondContact OE1-CE 3.25Å; E32-K34 WeakPolarHBondContact OE2-CE 3.49Å; E32-K34 IonicContact OE2-NZ 3.17Å; E32-Y230 HydrophobicContact CG-CD2 4.29Å | ||
| 33 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -68 | 132 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 D37 V227 P228 T234 | M1-A33 HydrophobicContact CG-CB 4.43Å; M1-A33 HydrophobicContact SD-CB 3.41Å; M1-A33 WeakPolarHBondContact SD-CB 3.33Å; A33-D37 HydrophobicContact CB-CB 4Å; A33-V227 HydrophobicContact CB-CB 3.67Å; A33-V227 HydrophobicContact CB-CG1 4.23Å; A33-P228 WeakPolarHBondContact CB-O 3.37Å; A33-P228 PolarHBondContact N-O 3.05Å; A33-T234 HydrophobicContact CB-CG2 3.71Å; A33-T234 WeakPolarHBondContact O-CB 3.17Å; A33-T234 PolarHBondContact O-OG1 2.98Å | ||
| 34 | K | 98.1 | Very high | 98.3 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | trans | -118.8 | -168.6 | 171.5 | -62.1 | -174.7 | -175.5 | 162.8 | 0 | 110.5 | D12 S14 E32 K36 D37 V38 I233 | D12-K34 IonicContact OD1-NZ 2.64Å; D12-K34 VanDerWaalsContact OD2-CD 3.31Å; D12-K34 WeakPolarHBondContact OD2-CD 3.4Å; D12-K34 WeakPolarHBondContact OD2-CE 3.4Å; D12-K34 IonicContact OD2-NZ 2.77Å; D12-K34 PolarHBondContact OD2-NZ 3.46Å; S14-K34 VanDerWaalsContact OG-CE 3.24Å; S14-K34 WeakPolarHBondContact OG-CE 3.22Å; S14-K34 PolarHBondContact OG-NZ 3.34Å; E32-K34 VanDerWaalsContact CD-CE 3.46Å; E32-K34 WeakPolarHBondContact OE1-CE 3.25Å; E32-K34 WeakPolarHBondContact OE2-CE 3.49Å; E32-K34 IonicContact OE2-NZ 3.17Å; K34-K36 VanDerWaalsContact C-N 3.31Å; K34-K36 PolarHBondContact O-N 2.93Å; K34-D37 PolarHBondContact N-OD2 3.12Å; K34-D37 PolarHBondContact O-N 3.18Å; K34-V38 PolarHBondContact O-N 2.8Å; K34-I233 HydrophobicContact CB-CG2 4.3Å; K34-I233 HydrophobicContact CG-CG2 4.01Å | ||
| 35 | Q | 98 | Very high | 98.4 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 41% | 0.411 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -49.8 | -48.2 | -176.7 | -174.3 | 65 | 56.4 | 0 | 0 | 112.9 | D37 V38 D39 A237 | Q35-D37 VanDerWaalsContact C-N 3.3Å; Q35-D37 PolarHBondContact O-N 3.43Å; Q35-V38 PolarHBondContact O-N 3.14Å; Q35-D39 PolarHBondContact NE2-OD1 3.4Å; Q35-D39 PolarHBondContact O-N 3.12Å; Q35-A237 VanDerWaalsContact OE1-CB 3.23Å |
| 36 | K | 98.1 | Very high | 98.4 | Very high | 160 Ų | 160 | 49.2 Ų | 49.2 | 70% | 0.696 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.7 | -35.7 | -178.7 | -69 | -177.3 | 180 | 175.8 | 0 | 113.1 | A11 K34 K40 | A11-K36 HydrophobicContact CB-CB 4.01Å; A11-K36 HydrophobicContact CB-CD 4.38Å; K34-K36 VanDerWaalsContact C-N 3.31Å; K34-K36 PolarHBondContact O-N 2.93Å; K36-K40 PolarHBondContact O-N 3.43Å; K36-K40 VanDerWaalsContact O-N 3.07Å |
| 37 | D | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.8 | -39.5 | 178.7 | -51.8 | -64.3 | 0 | 0 | 0 | 110.9 | M1 A11 A33 K34 Q35 K40 A41 | M1-D37 HydrophobicContact CE-CB 3.98Å; M1-D37 HydrophobicContact SD-CB 3.76Å; A11-D37 VanDerWaalsContact CB-OD1 3.27Å; A11-D37 WeakPolarHBondContact CB-OD1 3.14Å; A11-D37 PolarHBondContact N-OD1 2.97Å; A33-D37 HydrophobicContact CB-CB 4Å; K34-D37 PolarHBondContact N-OD2 3.12Å; K34-D37 PolarHBondContact O-N 3.18Å; Q35-D37 VanDerWaalsContact C-N 3.3Å; Q35-D37 PolarHBondContact O-N 3.43Å; D37-K40 PolarHBondContact O-N 3.41Å; D37-A41 WeakPolarHBondContact O-CB 3.09Å; D37-A41 PolarHBondContact O-N 3.18Å |
| 38 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 172 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | K34 Q35 K40 A41 V42 V227 T234 A237 V238 | K34-V38 PolarHBondContact O-N 2.8Å; Q35-V38 PolarHBondContact O-N 3.14Å; V38-K40 VanDerWaalsContact C-N 3.3Å; V38-K40 PolarHBondContact O-N 3.47Å; V38-A41 PolarHBondContact O-N 3.36Å; V38-V42 HydrophobicContact CG1-CG2 4.17Å; V38-V42 WeakPolarHBondContact O-CB 3.13Å; V38-V42 VanDerWaalsContact O-CG2 3.32Å; V38-V42 WeakPolarHBondContact O-CG2 3.37Å; V38-V42 PolarHBondContact O-N 2.99Å; V38-V227 HydrophobicContact CG2-CG2 4.41Å; V38-T234 HydrophobicContact CG2-CG2 3.81Å; V38-A237 HydrophobicContact CB-CB 4.13Å; V38-A237 HydrophobicContact CG1-CB 4.2Å; V38-A237 HydrophobicContact CG2-CB 3.96Å; V38-V238 HydrophobicContact CG1-CG2 3.78Å; V38-V238 HydrophobicContact CG2-CG2 4.08Å |
| 39 | D | 98.5 | Very high | 98.3 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 34% | 0.337 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 176.7 | -62.5 | -17.1 | 0 | 0 | 0 | 111 | Q35 V42 S43 H241 | Q35-D39 PolarHBondContact NE2-OD1 3.4Å; Q35-D39 PolarHBondContact O-N 3.12Å; D39-V42 PolarHBondContact O-N 3.26Å; D39-S43 VanDerWaalsContact O-CB 3.29Å; D39-S43 WeakPolarHBondContact O-CB 3.37Å; D39-S43 PolarHBondContact O-N 2.91Å; D39-H241 IonicContact OD1-CD2 2.85Å; D39-H241 PolarHBondContact OD1-CD2 3.17Å; D39-H241 IonicContact OD1-NE2 3.36Å; D39-H241 PolarHBondContact OD1-NE2 2.98Å |
| 40 | K | 98.4 | Very high | 98.1 | Very high | 103 Ų | 103 | 44.4 Ų | 44.4 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.9 | -47.3 | 175.5 | -172.2 | 179.4 | 179.7 | 177.1 | 0 | 111.5 | I3 I8 K36 D37 V38 S43 A44 | I3-K40 HydrophobicContact CG2-CG 4.32Å; I8-K40 HydrophobicContact CD1-CD 4.47Å; K36-K40 PolarHBondContact O-N 3.43Å; K36-K40 VanDerWaalsContact O-N 3.07Å; D37-K40 PolarHBondContact O-N 3.41Å; V38-K40 VanDerWaalsContact C-N 3.3Å; V38-K40 PolarHBondContact O-N 3.47Å; K40-S43 PolarHBondContact O-N 2.8Å; K40-A44 PolarHBondContact O-N 3.34Å |
| 41 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I3 D37 V38 A44 A45 V169 N225 V227 | I3-A41 HydrophobicContact CD1-CB 4.07Å; I3-A41 HydrophobicContact CG1-CB 4.13Å; I3-A41 HydrophobicContact CG2-CB 4.42Å; D37-A41 WeakPolarHBondContact O-CB 3.09Å; D37-A41 PolarHBondContact O-N 3.18Å; V38-A41 PolarHBondContact O-N 3.36Å; A41-A44 PolarHBondContact O-N 3.35Å; A41-A45 WeakPolarHBondContact O-CB 3.22Å; A41-A45 PolarHBondContact O-N 3.41Å; A41-V169 HydrophobicContact CB-CG1 3.94Å; A41-V169 HydrophobicContact CB-CG2 4.23Å; A41-N225 HydrophobicContact CB-CB 3.87Å; A41-V227 HydrophobicContact CB-CG1 3.79Å |
| 42 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 176.9 | 175 | 0 | 0 | 0 | 0 | 110.9 | V38 D39 A44 A45 R46 V140 V169 H241 Q243 V244 | V38-V42 HydrophobicContact CG1-CG2 4.17Å; V38-V42 WeakPolarHBondContact O-CB 3.13Å; V38-V42 VanDerWaalsContact O-CG2 3.32Å; V38-V42 WeakPolarHBondContact O-CG2 3.37Å; V38-V42 PolarHBondContact O-N 2.99Å; D39-V42 PolarHBondContact O-N 3.26Å; V42-A44 PolarHBondContact O-N 3.01Å; V42-A45 PolarHBondContact O-N 3.46Å; V42-R46 HydrophobicContact CG1-CG 4.17Å; V42-R46 WeakPolarHBondContact O-CB 2.96Å; V42-R46 VanDerWaalsContact O-CG 3.24Å; V42-R46 WeakPolarHBondContact O-CG 3.43Å; V42-R46 PolarHBondContact O-N 2.85Å; V42-V140 HydrophobicContact CG1-CG1 4.45Å; V42-V169 HydrophobicContact CG2-CG2 3.98Å; V42-H241 WeakPolarHBondContact CG1-CE1 3.32Å; V42-H241 WeakPolarHBondContact CG1-ND1 3.41Å; V42-Q243 HydrophobicContact CG1-CB 3.79Å; V42-Q243 WeakPolarHBondContact CG1-O 3.43Å; V42-V244 HydrophobicContact CG1-CG2 4.37Å; V42-V244 HydrophobicContact CG2-CG2 3.83Å |
| 43 | S | 98.5 | Very high | 97.3 | Very high | 72 Ų | 72 | 49.8 Ų | 49.8 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 175.3 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | D39 K40 R46 L47 | D39-S43 VanDerWaalsContact O-CB 3.29Å; D39-S43 WeakPolarHBondContact O-CB 3.37Å; D39-S43 PolarHBondContact O-N 2.91Å; K40-S43 PolarHBondContact O-N 2.8Å; S43-R46 PolarHBondContact O-N 3.35Å; S43-L47 PolarHBondContact O-N 3.41Å |
| 44 | A | 98.5 | Very high | 97 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | I3 D4 K40 A41 V42 R46 L47 A48 | I3-A44 HydrophobicContact CG2-CB 4.3Å; D4-A44 HydrophobicContact CB-CB 4.19Å; K40-A44 PolarHBondContact O-N 3.34Å; A41-A44 PolarHBondContact O-N 3.35Å; V42-A44 PolarHBondContact O-N 3.01Å; A44-R46 VanDerWaalsContact C-N 3.28Å; A44-R46 PolarHBondContact O-N 2.76Å; A44-L47 PolarHBondContact O-N 2.82Å; A44-A48 WeakPolarHBondContact O-CB 3.35Å; A44-A48 PolarHBondContact O-N 3.41Å |
| 45 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | A41 V42 G49 V140 T167 V169 G222 | A41-A45 WeakPolarHBondContact O-CB 3.22Å; A41-A45 PolarHBondContact O-N 3.41Å; V42-A45 PolarHBondContact O-N 3.46Å; A45-G49 PolarHBondContact O-N 3.16Å; A45-V140 HydrophobicContact CB-CB 4.49Å; A45-V140 HydrophobicContact CB-CG1 3.86Å; A45-V140 HydrophobicContact CB-CG2 3.78Å; A45-T167 WeakPolarHBondContact O-CB 3.38Å; A45-T167 WeakPolarHBondContact O-CG2 3.13Å; A45-T167 PolarHBondContact O-OG1 3.3Å; A45-V169 HydrophobicContact CB-CG2 3.96Å; A45-G222 VanDerWaalsContact CA-O 3.24Å; A45-G222 WeakPolarHBondContact CA-O 3Å |
| 46 | R | 98.2 | Very high | 96.6 | Very high | 62 Ų | 62 | 50.9 Ų | 50.9 | 23% | 0.234 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.1 | -44.3 | 176 | -73.5 | -67.8 | 164.6 | -166.6 | 5.5 | 112 | V42 S43 A44 A48 G49 K50 V140 Q243 D245 | V42-R46 HydrophobicContact CG1-CG 4.17Å; V42-R46 WeakPolarHBondContact O-CB 2.96Å; V42-R46 VanDerWaalsContact O-CG 3.24Å; V42-R46 WeakPolarHBondContact O-CG 3.43Å; V42-R46 PolarHBondContact O-N 2.85Å; S43-R46 PolarHBondContact O-N 3.35Å; A44-R46 VanDerWaalsContact C-N 3.28Å; A44-R46 PolarHBondContact O-N 2.76Å; R46-A48 VanDerWaalsContact C-N 3.33Å; R46-G49 PolarHBondContact O-N 3.44Å; R46-K50 PolarHBondContact O-N 2.96Å; R46-V140 VanDerWaalsContact CD-CG2 3.48Å; R46-V140 HydrophobicContact CG-CG2 3.82Å; R46-Q243 HydrophobicContact CG-CB 4.24Å; R46-Q243 PolarHBondContact NE-O 2.95Å; R46-Q243 PolarHBondContact NH2-O 3.02Å; R46-D245 IonicContact CZ-OD1 3.7Å; R46-D245 IonicContact CZ-OD2 2.64Å; R46-D245 IonicContact NH1-OD1 3.71Å; R46-D245 PolarHBondContact NH1-OD1 2.65Å; R46-D245 IonicContact NH1-OD2 2.8Å; R46-D245 PolarHBondContact NH1-OD2 2.82Å; R46-D245 IonicContact NH2-OD1 2.71Å; R46-D245 PolarHBondContact NH2-OD1 3.5Å; R46-D245 IonicContact NH2-OD2 3.64Å; R46-D245 PolarHBondContact NH2-OD2 3.41Å |
| 47 | L | 97.9 | Very high | 96.3 | Very high | 103 Ų | 103 | 47 Ų | 47 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.9 | -177.1 | 61.8 | 0 | 0 | 0 | 111.3 | S43 A44 G49 K50 | S43-L47 PolarHBondContact O-N 3.41Å; A44-L47 PolarHBondContact O-N 2.82Å; L47-G49 VanDerWaalsContact C-N 3.35Å; L47-K50 HydrophobicContact CD1-CD 4.13Å; L47-K50 WeakPolarHBondContact O-CG 3.49Å |
| 48 | A | 97.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 48 Ų | 48 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.5 | -29.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A44 R46 S53 W55 T167 P221 V223 | A44-A48 WeakPolarHBondContact O-CB 3.35Å; A44-A48 PolarHBondContact O-N 3.41Å; R46-A48 VanDerWaalsContact C-N 3.33Å; A48-S53 WeakPolarHBondContact O-CB 3.48Å; A48-S53 PolarHBondContact O-OG 3.17Å; A48-W55 WeakPolarHBondContact O-CB 3.46Å; A48-T167 HydrophobicContact CB-CG2 4.06Å; A48-P221 VanDerWaalsContact CB-O 3.28Å; A48-P221 WeakPolarHBondContact CB-O 3.23Å; A48-V223 HydrophobicContact CB-CG2 3.96Å |
| 49 | G | 96.5 | Very high | 95.6 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 9% | 0.093 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -99.2 | -1.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A45 R46 L47 R56 | A45-G49 PolarHBondContact O-N 3.16Å; R46-G49 PolarHBondContact O-N 3.44Å; L47-G49 VanDerWaalsContact C-N 3.35Å; G49-R56 WeakPolarHBondContact O-CD 3.49Å; G49-R56 WeakPolarHBondContact O-CG 3.3Å; G49-R56 PolarHBondContact O-NH1 2.88Å |
| 50 | K | 95.1 | Very high | 95.4 | Very high | 109 Ų | 109 | 53 Ų | 53 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -68.4 | 150.3 | -177.9 | 74.3 | -175.1 | 177.1 | -179.5 | 0 | 112.1 | R46 L47 G52 S53 R56 | R46-K50 PolarHBondContact O-N 2.96Å; L47-K50 HydrophobicContact CD1-CD 4.13Å; L47-K50 WeakPolarHBondContact O-CG 3.49Å; K50-G52 PolarHBondContact O-N 2.94Å; K50-S53 WeakPolarHBondContact O-CB 3.31Å; K50-S53 PolarHBondContact O-N 3.29Å; K50-S53 PolarHBondContact O-OG 2.91Å; K50-R56 VanDerWaalsContact O-CG 3.27Å; K50-R56 WeakPolarHBondContact O-CG 3.42Å |
| 51 | P | 92.8 | Very high | 95.1 | Very high | 108 Ų | 108 | 51 Ų | 51 | 70% | 0.701 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 134.1 | 172.1 | -26.1 | 35.1 | 0 | 0 | 0 | 112 | S53 | P51-S53 VanDerWaalsContact C-N 3.29Å; P51-S53 PolarHBondContact O-N 2.65Å |
| 52 | G | 90.5 | Very high | 94.8 | Very high | 72 Ų | 72 | 54.1 Ų | 54.1 | 74% | 0.742 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -3.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | K50 | K50-G52 PolarHBondContact O-N 2.94Š|
| 53 | S | 94.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -66.8 | 158.8 | 167.3 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | A48 K50 P51 W55 R56 S57 | A48-S53 WeakPolarHBondContact O-CB 3.48Å; A48-S53 PolarHBondContact O-OG 3.17Å; K50-S53 WeakPolarHBondContact O-CB 3.31Å; K50-S53 PolarHBondContact O-N 3.29Å; K50-S53 PolarHBondContact O-OG 2.91Å; P51-S53 VanDerWaalsContact C-N 3.29Å; P51-S53 PolarHBondContact O-N 2.65Å; S53-W55 VanDerWaalsContact C-N 3.26Å; S53-W55 PolarHBondContact O-N 3.44Å; S53-R56 PolarHBondContact O-N 2.93Å; S53-R56 VanDerWaalsContact O-N 3.1Å; S53-R56 WeakPolarHBondContact OG-CB 3.23Å; S53-R56 WeakPolarHBondContact OG-CG 3.29Å; S53-R56 PolarHBondContact OG-N 3.45Å; S53-S57 PolarHBondContact O-N 2.86Å; S53-S57 PolarHBondContact O-OG 3.12Å |
| 54 | L | 92.2 | Very high | 94.5 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -52.7 | -42.9 | 177 | -176.6 | 61.7 | 0 | 0 | 0 | 112.1 | S57 L58 P220 | L54-S57 PolarHBondContact O-N 2.87Å; L54-S57 PolarHBondContact O-OG 2.85Å; L54-L58 VanDerWaalsContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 PolarHBondContact O-N 3.11Å; L54-P220 HydrophobicContact CB-CB 4.45Å; L54-P220 HydrophobicContact CB-CG 4.11Å; L54-P220 HydrophobicContact CD2-CB 4.17Å; L54-P220 HydrophobicContact CD2-CG 3.81Å; L54-P220 HydrophobicContact CG-CG 3.9Å |
| 55 | W | 95.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 179.9 | -171.4 | -126.7 | 0 | 0 | 0 | 113 | A48 S53 L58 R63 L66 L162 G165 N166 F219 P220 V223 | A48-W55 WeakPolarHBondContact O-CB 3.46Å; S53-W55 VanDerWaalsContact C-N 3.26Å; S53-W55 PolarHBondContact O-N 3.44Å; W55-L58 HydrophobicContact CE3-CD2 3.81Å; W55-L58 HydrophobicContact CZ3-CD2 3.67Å; W55-R63 HydrophobicContact CE3-CG 4.43Å; W55-R63 HydrophobicContact CH2-CB 4.12Å; W55-R63 HydrophobicContact CH2-CG 3.71Å; W55-R63 HydrophobicContact CZ2-CG 4.16Å; W55-R63 HydrophobicContact CZ3-CG 3.87Å; W55-L66 HydrophobicContact CH2-CD1 4.47Å; W55-L66 HydrophobicContact CZ3-CD1 3.75Å; W55-L162 HydrophobicContact CZ2-CB 4.19Å; W55-L162 HydrophobicContact CZ2-CD2 3.92Å; W55-L162 WeakPolarHBondContact CZ2-O 3.47Å; W55-G165 PolarHBondContact NE1-O 2.87Å; W55-N166 PolarHBondContact NE1-O 3.47Å; W55-F219 HydrophobicContact CH2-CD1 4.19Å; W55-F219 HydrophobicContact CH2-CE1 4.02Å; W55-F219 HydrophobicContact CZ3-CD1 4.26Å; W55-F219 HydrophobicContact CZ3-CE1 4.47Å; W55-P220 HydrophobicContact CB-CG 4.13Å; W55-P220 HydrophobicContact CE3-CG 4.23Å; W55-V223 HydrophobicContact CB-CG2 3.74Å; W55-V223 HydrophobicContact CD2-CG1 3.91Å; W55-V223 HydrophobicContact CD2-CG2 3.74Å; W55-V223 HydrophobicContact CE3-CG1 4.36Å; W55-V223 HydrophobicContact CE3-CG2 4.18Å; W55-V223 HydrophobicContact CG-CG1 4.32Å; W55-V223 HydrophobicContact CG-CG2 3.51Å; W55-V223 HydrophobicContact CH2-CG1 4.33Å; W55-V223 HydrophobicContact CZ2-CG1 3.86Å |
| 56 | R | 93.5 | Very high | 94.2 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -77 | -27.1 | 179.8 | -69.6 | -62.7 | -62.6 | -96.2 | 6.5 | 113.4 | G49 K50 S53 P137 | G49-R56 WeakPolarHBondContact O-CD 3.49Å; G49-R56 WeakPolarHBondContact O-CG 3.3Å; G49-R56 PolarHBondContact O-NH1 2.88Å; K50-R56 VanDerWaalsContact O-CG 3.27Å; K50-R56 WeakPolarHBondContact O-CG 3.42Å; S53-R56 PolarHBondContact O-N 2.93Å; S53-R56 VanDerWaalsContact O-N 3.1Å; S53-R56 WeakPolarHBondContact OG-CB 3.23Å; S53-R56 WeakPolarHBondContact OG-CG 3.29Å; S53-R56 PolarHBondContact OG-N 3.45Å; R56-P137 VanDerWaalsContact CZ-CG 3.45Å |
| 57 | S | 91.3 | Very high | 94.2 | Very high | 79 Ų | 79 | 52.3 Ų | 52.3 | 55% | 0.552 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -88.7 | -12.5 | 174.4 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | S53 L54 E59 | S53-S57 PolarHBondContact O-N 2.86Å; S53-S57 PolarHBondContact O-OG 3.12Å; L54-S57 PolarHBondContact O-N 2.87Å; L54-S57 PolarHBondContact O-OG 2.85Å; S57-E59 PolarHBondContact O-N 3.25Å |
| 58 | L | 90.7 | Very high | 94.2 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -61.3 | 130.9 | 179.8 | -170.2 | 62.2 | 0 | 0 | 0 | 110.7 | L54 W55 R62 R63 L66 | L54-L58 VanDerWaalsContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 PolarHBondContact O-N 3.11Å; W55-L58 HydrophobicContact CE3-CD2 3.81Å; W55-L58 HydrophobicContact CZ3-CD2 3.67Å; L58-R62 HydrophobicContact CD1-CB 3.59Å; L58-R62 HydrophobicContact CD1-CG 4.21Å; L58-R62 HydrophobicContact CD2-CB 4.18Å; L58-R62 HydrophobicContact CG-CB 3.74Å; L58-R63 HydrophobicContact CD2-CG 3.9Å; L58-R63 HydrophobicContact CG-CG 4.29Å; L58-R63 PolarHBondContact O-NH1 2.86Å; L58-L66 HydrophobicContact CD2-CD1 3.8Å |
| 59 | E | 92.4 | Very high | 94.1 | Very high | 109 Ų | 109 | 52 Ų | 52 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | trans | -54.6 | 136.4 | 176.5 | -63.5 | 179.6 | 146 | 0 | 0 | 110.3 | S57 C61 R62 R63 | S57-E59 PolarHBondContact O-N 3.25Å; E59-C61 PolarHBondContact O-N 2.93Å; E59-C61 VanDerWaalsContact O-N 3.17Å; E59-R62 HydrophobicContact CB-CB 4.35Å; E59-R62 HydrophobicContact CB-CG 3.87Å; E59-R62 WeakPolarHBondContact O-CA 3.5Å; E59-R62 WeakPolarHBondContact O-CB 3.48Å; E59-R62 PolarHBondContact O-N 3.21Å; E59-R62 IonicContact OE2-NE 2.84Å; E59-R63 PolarHBondContact O-N 3.04Å | ||
| 60 | P | 94 | Very high | 94.1 | Very high | 60 Ų | 60 | 51.6 Ų | 51.6 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -51.6 | -39.6 | 179.5 | -30.1 | 36.7 | 0 | 0 | 0 | 114.7 | R62 R63 G64 A115 D116 | P60-R62 VanDerWaalsContact C-N 3.29Å; P60-R62 PolarHBondContact O-N 2.96Å; P60-R63 WeakPolarHBondContact O-CB 3.2Å; P60-R63 PolarHBondContact O-N 3.48Å; P60-G64 PolarHBondContact O-N 3.17Å; P60-A115 VanDerWaalsContact CB-O 3.32Å; P60-A115 WeakPolarHBondContact CB-O 3.05Å; P60-A115 VanDerWaalsContact O-CB 3.3Å; P60-A115 WeakPolarHBondContact O-CB 3.46Å; P60-D116 HydrophobicContact CB-CB 3.86Å |
| 61 | C | 93.1 | Very high | 94.3 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 42% | 0.419 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.9 | -31 | 176.8 | 61 | 0 | 0 | 0 | 0 | 112.9 | E59 G64 L65 D116 | E59-C61 PolarHBondContact O-N 2.93Å; E59-C61 VanDerWaalsContact O-N 3.17Å; C61-G64 PolarHBondContact O-N 3.38Å; C61-L65 PolarHBondContact O-N 2.91Å; C61-D116 HydrophobicContact CB-CB 4.38Å |
| 62 | R | 92.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 45 Ų | 45 | 25% | 0.245 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.9 | -31.8 | 176.8 | -61 | -68.9 | -176.6 | 174.5 | 3.9 | 112 | L58 E59 P60 G64 L65 L66 A217 | L58-R62 HydrophobicContact CD1-CB 3.59Å; L58-R62 HydrophobicContact CD1-CG 4.21Å; L58-R62 HydrophobicContact CD2-CB 4.18Å; L58-R62 HydrophobicContact CG-CB 3.74Å; E59-R62 HydrophobicContact CB-CB 4.35Å; E59-R62 HydrophobicContact CB-CG 3.87Å; E59-R62 WeakPolarHBondContact O-CA 3.5Å; E59-R62 WeakPolarHBondContact O-CB 3.48Å; E59-R62 PolarHBondContact O-N 3.21Å; E59-R62 IonicContact OE2-NE 2.84Å; P60-R62 VanDerWaalsContact C-N 3.29Å; P60-R62 PolarHBondContact O-N 2.96Å; R62-G64 VanDerWaalsContact C-N 3.3Å; R62-L65 PolarHBondContact O-N 3.21Å; R62-L66 WeakPolarHBondContact O-CG 3.12Å; R62-L66 PolarHBondContact O-N 3.46Å; R62-L66 VanDerWaalsContact O-N 3.11Å; R62-A217 HydrophobicContact CB-CB 4.16Å |
| 63 | R | 95.1 | Very high | 94.9 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 11% | 0.106 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 166.9 | -64.9 | -163.9 | -57.9 | -82.1 | -2.4 | 111 | W55 L58 E59 P60 L66 L67 A115 A163 | W55-R63 HydrophobicContact CE3-CG 4.43Å; W55-R63 HydrophobicContact CH2-CB 4.12Å; W55-R63 HydrophobicContact CH2-CG 3.71Å; W55-R63 HydrophobicContact CZ2-CG 4.16Å; W55-R63 HydrophobicContact CZ3-CG 3.87Å; L58-R63 HydrophobicContact CD2-CG 3.9Å; L58-R63 HydrophobicContact CG-CG 4.29Å; L58-R63 PolarHBondContact O-NH1 2.86Å; E59-R63 PolarHBondContact O-N 3.04Å; P60-R63 WeakPolarHBondContact O-CB 3.2Å; P60-R63 PolarHBondContact O-N 3.48Å; R63-L66 PolarHBondContact O-N 2.74Å; R63-L67 PolarHBondContact O-N 2.86Å; R63-A115 HydrophobicContact CB-CB 4.25Å; R63-A115 PolarHBondContact NH2-O 3.24Å; R63-A163 PolarHBondContact NE-O 3.34Å; R63-A163 PolarHBondContact NH2-O 2.98Å |
| 64 | G | 96.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P60 C61 R62 L66 L67 H68 A112 | P60-G64 PolarHBondContact O-N 3.17Å; C61-G64 PolarHBondContact O-N 3.38Å; R62-G64 VanDerWaalsContact C-N 3.3Å; G64-L66 VanDerWaalsContact C-N 3.29Å; G64-L66 PolarHBondContact O-N 3.5Å; G64-L67 PolarHBondContact O-N 3.4Å; G64-L67 VanDerWaalsContact O-N 3.15Å; G64-H68 PolarHBondContact O-CD2 3.41Å; G64-H68 PolarHBondContact O-N 2.89Å; G64-A112 WeakPolarHBondContact CA-O 3.22Å; G64-A112 WeakPolarHBondContact O-CB 3.43Å |
| 65 | L | 95.2 | Very high | 95.4 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 39% | 0.387 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.4 | -40.9 | 176.8 | -179 | 62.5 | 0 | 0 | 0 | 112.7 | C61 R62 H68 R69 I194 A217 | C61-L65 PolarHBondContact O-N 2.91Å; R62-L65 PolarHBondContact O-N 3.21Å; L65-H68 PolarHBondContact O-N 3.31Å; L65-R69 WeakPolarHBondContact O-CB 3.42Å; L65-R69 PolarHBondContact O-N 3.26Å; L65-I194 HydrophobicContact CD2-CD1 4.49Å; L65-A217 HydrophobicContact CD2-CB 4.37Å |
| 66 | L | 95.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 176.9 | -77 | 171.7 | 0 | 0 | 0 | 112.9 | W55 L58 R62 R63 G64 R69 L70 A217 S218 F219 | W55-L66 HydrophobicContact CH2-CD1 4.47Å; W55-L66 HydrophobicContact CZ3-CD1 3.75Å; L58-L66 HydrophobicContact CD2-CD1 3.8Å; R62-L66 WeakPolarHBondContact O-CG 3.12Å; R62-L66 PolarHBondContact O-N 3.46Å; R62-L66 VanDerWaalsContact O-N 3.11Å; R63-L66 PolarHBondContact O-N 2.74Å; G64-L66 VanDerWaalsContact C-N 3.29Å; G64-L66 PolarHBondContact O-N 3.5Å; L66-R69 PolarHBondContact O-N 2.79Å; L66-L70 PolarHBondContact O-N 2.91Å; L66-A217 HydrophobicContact CD1-CB 4.36Å; L66-A217 HydrophobicContact CD2-CB 4.27Å; L66-A217 VanDerWaalsContact CD2-O 3.29Å; L66-A217 WeakPolarHBondContact CD2-O 3.22Å; L66-A217 HydrophobicContact CG-CB 4.04Å; L66-S218 WeakPolarHBondContact CD1-O 3.45Å; L66-F219 HydrophobicContact CB-CD2 4.27Å; L66-F219 HydrophobicContact CB-CE1 4.18Å; L66-F219 HydrophobicContact CB-CE2 3.72Å; L66-F219 HydrophobicContact CB-CZ 3.68Å; L66-F219 HydrophobicContact CD1-CD1 4.46Å; L66-F219 HydrophobicContact CD1-CG 4.46Å; L66-F219 HydrophobicContact CD2-CD2 3.97Å; L66-F219 HydrophobicContact CD2-CE2 4.15Å; L66-F219 HydrophobicContact CG-CE2 4.45Å |
| 67 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67 | -42.1 | 174.9 | -75.7 | 171.5 | 0 | 0 | 0 | 112.3 | R63 G64 R69 L70 A71 L108 A112 L162 A163 | R63-L67 PolarHBondContact O-N 2.86Å; G64-L67 PolarHBondContact O-N 3.4Å; G64-L67 VanDerWaalsContact O-N 3.15Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 2.93Å; L67-L70 PolarHBondContact O-N 3.36Å; L67-A71 PolarHBondContact O-N 3.33Å; L67-L108 HydrophobicContact CD2-CD2 4.13Å; L67-A112 HydrophobicContact CB-CB 3.61Å; L67-A112 HydrophobicContact CD1-CB 4.5Å; L67-L162 HydrophobicContact CD1-CB 4.46Å; L67-L162 HydrophobicContact CD2-CB 4.03Å; L67-L162 HydrophobicContact CD2-CD1 4.02Å; L67-L162 HydrophobicContact CG-CB 4.48Å; L67-A163 HydrophobicContact CD1-CB 3.85Å |
| 68 | H | 97.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 33% | 0.333 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58 | -45.7 | 172.5 | -83.3 | -56.9 | 0 | 0 | 0 | 111.3 | G64 L65 L70 A71 D72 A112 | G64-H68 PolarHBondContact O-CD2 3.41Å; G64-H68 PolarHBondContact O-N 2.89Å; L65-H68 PolarHBondContact O-N 3.31Å; H68-L70 PolarHBondContact O-N 3.27Å; H68-A71 WeakPolarHBondContact O-CA 3.44Å; H68-A71 WeakPolarHBondContact O-CB 3.39Å; H68-A71 PolarHBondContact O-N 2.83Å; H68-A71 VanDerWaalsContact O-N 3.09Å; H68-D72 VanDerWaalsContact O-CG 3.32Å; H68-D72 PolarHBondContact O-N 3.45Å; H68-A112 VanDerWaalsContact CD2-CB 3.44Å; H68-A112 WeakPolarHBondContact CD2-CB 3.33Å; H68-A112 WeakPolarHBondContact NE2-CB 3.12Å |
| 69 | R | 95.3 | Very high | 96.5 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | -179.9 | -174.6 | 156.2 | 175.4 | -117.2 | -37.5 | 113.2 | L65 L66 L67 A71 D72 L73 E189 A190 | L65-R69 WeakPolarHBondContact O-CB 3.42Å; L65-R69 PolarHBondContact O-N 3.26Å; L66-R69 PolarHBondContact O-N 2.79Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 2.93Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-A71 PolarHBondContact O-N 2.85Å; R69-D72 PolarHBondContact O-N 3.35Å; R69-L73 WeakPolarHBondContact O-CG 3.3Å; R69-L73 PolarHBondContact O-N 3.2Å; R69-E189 PolarHBondContact NH2-O 3.18Å; R69-A190 HydrophobicContact CG-CB 4.47Å; R69-A190 PolarHBondContact NH1-O 3.45Å; R69-A190 VanDerWaalsContact NH2-CA 3.31Å; R69-A190 PolarHBondContact NH2-O 3.46Å |
| 70 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 171.7 | 179.2 | 59.8 | 0 | 0 | 0 | 111.1 | L66 L67 H68 D72 L73 M74 L108 I158 V183 L186 I187 F219 | L66-L70 PolarHBondContact O-N 2.91Å; L67-L70 PolarHBondContact O-N 3.36Å; H68-L70 PolarHBondContact O-N 3.27Å; L70-D72 VanDerWaalsContact C-N 3.34Å; L70-D72 PolarHBondContact O-N 3.13Å; L70-L73 PolarHBondContact O-N 2.99Å; L70-M74 HydrophobicContact CG-SD 4.35Å; L70-M74 WeakPolarHBondContact O-CG 3.43Å; L70-M74 PolarHBondContact O-N 3.29Å; L70-L108 HydrophobicContact CD2-CD1 4.06Å; L70-L108 HydrophobicContact CD2-CD2 4.47Å; L70-L108 HydrophobicContact CG-CD1 4.03Å; L70-I158 HydrophobicContact CD2-CD1 4.24Å; L70-V183 HydrophobicContact CD1-CG1 4.4Å; L70-L186 HydrophobicContact CD1-CB 3.88Å; L70-I187 HydrophobicContact CD1-CG1 3.77Å; L70-I187 HydrophobicContact CD2-CD1 4.36Å; L70-I187 HydrophobicContact CD2-CG1 3.93Å; L70-I187 HydrophobicContact CG-CG1 4.49Å; L70-F219 HydrophobicContact CB-CE2 4.47Å |
| 71 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L67 H68 R69 M74 E75 I105 L108 R109 | L67-A71 PolarHBondContact O-N 3.33Å; H68-A71 WeakPolarHBondContact O-CA 3.44Å; H68-A71 WeakPolarHBondContact O-CB 3.39Å; H68-A71 PolarHBondContact O-N 2.83Å; H68-A71 VanDerWaalsContact O-N 3.09Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-A71 PolarHBondContact O-N 2.85Å; A71-M74 PolarHBondContact O-N 3.45Å; A71-E75 WeakPolarHBondContact O-CB 3.45Å; A71-E75 PolarHBondContact O-N 2.7Å; A71-I105 HydrophobicContact CB-CG2 4.26Å; A71-L108 HydrophobicContact CB-CB 3.99Å; A71-L108 HydrophobicContact CB-CD1 4.41Å; A71-R109 HydrophobicContact CB-CG 3.72Å |
| 72 | D | 98.1 | Very high | 97.2 | Very high | 80 Ų | 80 | 46 Ų | 46 | 43% | 0.428 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.6 | -36.6 | 177.3 | -62 | -20.7 | 0 | 0 | 0 | 112.1 | H68 R69 L70 E75 R76 R109 | H68-D72 VanDerWaalsContact O-CG 3.32Å; H68-D72 PolarHBondContact O-N 3.45Å; R69-D72 PolarHBondContact O-N 3.35Å; L70-D72 VanDerWaalsContact C-N 3.34Å; L70-D72 PolarHBondContact O-N 3.13Å; D72-E75 PolarHBondContact O-N 3.37Å; D72-R76 WeakPolarHBondContact O-CB 3.35Å; D72-R76 PolarHBondContact O-N 3.31Å; D72-R109 IonicContact OD1-CZ 2.88Å; D72-R109 IonicContact OD1-NE 3.26Å; D72-R109 IonicContact OD1-NH2 3.63Å; D72-R109 PolarHBondContact OD1-NH2 2.96Å |
| 73 | L | 97.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 173.1 | -70.2 | 174.2 | 0 | 0 | 0 | 112.1 | R69 L70 E75 R76 D77 L186 E189 A190 | R69-L73 WeakPolarHBondContact O-CG 3.3Å; R69-L73 PolarHBondContact O-N 3.2Å; L70-L73 PolarHBondContact O-N 2.99Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-R76 WeakPolarHBondContact O-CB 3.49Å; L73-R76 PolarHBondContact O-N 2.96Å; L73-D77 PolarHBondContact O-N 3.4Å; L73-L186 HydrophobicContact CB-CB 4.3Å; L73-L186 HydrophobicContact CB-CD1 4.41Å; L73-L186 HydrophobicContact CB-CD2 4.35Å; L73-L186 HydrophobicContact CD1-CB 4.5Å; L73-L186 VanDerWaalsContact CD1-O 3.31Å; L73-L186 WeakPolarHBondContact CD1-O 3.23Å; L73-E189 HydrophobicContact CD1-CB 4.21Å; L73-E189 WeakPolarHBondContact CD2-OE1 3.34Å; L73-A190 HydrophobicContact CD1-CB 3.88Å |
| 74 | M | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 172.8 | -73.2 | 178.6 | 57.3 | 0 | 0 | 111.9 | L70 A71 D77 R78 L81 L101 A104 I105 L108 L151 V183 L186 | L70-M74 HydrophobicContact CG-SD 4.35Å; L70-M74 WeakPolarHBondContact O-CG 3.43Å; L70-M74 PolarHBondContact O-N 3.29Å; A71-M74 PolarHBondContact O-N 3.45Å; M74-D77 CarbonylContact O-C 3.6Å; M74-D77 PolarHBondContact O-N 2.87Å; M74-R78 WeakPolarHBondContact O-CA 3.49Å; M74-R78 PolarHBondContact O-N 3.04Å; M74-R78 VanDerWaalsContact O-N 3.09Å; M74-L81 HydrophobicContact CB-CD1 3.92Å; M74-L81 HydrophobicContact CG-CD1 3.95Å; M74-L101 HydrophobicContact CE-CD1 4.08Å; M74-A104 HydrophobicContact CE-CB 3.99Å; M74-I105 HydrophobicContact CB-CD1 4.41Å; M74-I105 HydrophobicContact CB-CG1 4.02Å; M74-I105 HydrophobicContact CE-CG1 4.37Å; M74-L108 HydrophobicContact CE-CD1 4.33Å; M74-L108 HydrophobicContact SD-CD1 3.35Å; M74-L108 WeakPolarHBondContact SD-CD1 3.26Å; M74-L151 HydrophobicContact CE-CD1 3.79Å; M74-L151 HydrophobicContact CE-CD2 4.22Å; M74-L151 HydrophobicContact CE-CG 4.11Å; M74-V183 HydrophobicContact SD-CG2 4.36Å; M74-L186 HydrophobicContact CG-CD1 3.82Å |
| 75 | E | 98.4 | Very high | 97.8 | Very high | 73 Ų | 73 | 44.3 Ų | 44.3 | 34% | 0.341 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.9 | -40 | 175.3 | -168.9 | 168.6 | -116.8 | 0 | 0 | 111.8 | A71 D72 L73 D77 R78 I105 R109 | A71-E75 WeakPolarHBondContact O-CB 3.45Å; A71-E75 PolarHBondContact O-N 2.7Å; D72-E75 PolarHBondContact O-N 3.37Å; L73-E75 VanDerWaalsContact C-N 3.34Å; E75-D77 VanDerWaalsContact C-N 3.33Å; E75-D77 PolarHBondContact O-N 3.39Å; E75-R78 VanDerWaalsContact O-CB 3.25Å; E75-R78 WeakPolarHBondContact O-CB 3.42Å; E75-R78 WeakPolarHBondContact O-CD 3.46Å; E75-R78 WeakPolarHBondContact O-CG 3.36Å; E75-R78 PolarHBondContact O-N 3.03Å; E75-I105 HydrophobicContact CB-CD1 3.92Å; E75-I105 HydrophobicContact CG-CD1 4.41Å; E75-R109 VanDerWaalsContact CD-NH2 3.33Å; E75-R109 IonicContact OE1-CZ 2.65Å; E75-R109 IonicContact OE1-NH1 2.64Å; E75-R109 PolarHBondContact OE1-NH1 2.92Å; E75-R109 IonicContact OE1-NH2 3.97Å; E75-R109 IonicContact OE2-CZ 2.71Å; E75-R109 IonicContact OE2-NH1 3.76Å; E75-R109 IonicContact OE2-NH2 3.91Å; E75-R109 PolarHBondContact OE2-NH2 3.5Å |
| 76 | R | 98.2 | Very high | 98 | Very high | 130 Ų | 130 | 40.8 Ų | 40.8 | 49% | 0.491 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -56.9 | -47.2 | 171.5 | -176.9 | -161.9 | 71.7 | -175.6 | 3.3 | 111.1 | D72 L73 R78 E189 | D72-R76 WeakPolarHBondContact O-CB 3.35Å; D72-R76 PolarHBondContact O-N 3.31Å; L73-R76 WeakPolarHBondContact O-CB 3.49Å; L73-R76 PolarHBondContact O-N 2.96Å; R76-R78 VanDerWaalsContact C-N 3.26Å; R76-R78 PolarHBondContact O-N 3.22Å; R76-E189 IonicContact CZ-OE1 3.92Å; R76-E189 IonicContact CZ-OE2 2.59Å; R76-E189 IonicContact NH1-OE1 3.15Å; R76-E189 PolarHBondContact NH1-OE1 2.91Å; R76-E189 IonicContact NH1-OE2 3.81Å; R76-E189 PolarHBondContact NH1-OE2 3.22Å; R76-E189 IonicContact NH2-OE1 3.77Å; R76-E189 IonicContact NH2-OE2 2.78Å; R76-E189 PolarHBondContact NH2-OE2 2.78Å |
| 77 | D | 98.4 | Very high | 98.1 | Very high | 28 Ų | 28 | 43.2 Ų | 43.2 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 14.8 | -176.4 | -75.9 | 21.7 | 0 | 0 | 0 | 113.5 | L73 M74 E75 V79 Y80 L81 H182 L186 | L73-D77 PolarHBondContact O-N 3.4Å; M74-D77 CarbonylContact O-C 3.6Å; M74-D77 PolarHBondContact O-N 2.87Å; E75-D77 VanDerWaalsContact C-N 3.33Å; E75-D77 PolarHBondContact O-N 3.39Å; D77-V79 VanDerWaalsContact C-N 3.29Å; D77-V79 PolarHBondContact O-N 3.25Å; D77-V79 VanDerWaalsContact O-N 3.1Å; D77-Y80 WeakPolarHBondContact O-CB 3.47Å; D77-Y80 PolarHBondContact O-N 3.1Å; D77-L81 HydrophobicContact CB-CD1 4.28Å; D77-L81 HydrophobicContact CB-CG 4.41Å; D77-L81 PolarHBondContact O-N 3.29Å; D77-H182 IonicContact OD2-CD2 2.97Å; D77-H182 IonicContact OD2-CE1 2.66Å; D77-H182 IonicContact OD2-NE2 3.33Å; D77-H182 PolarHBondContact OD2-NE2 3.05Å; D77-L186 WeakPolarHBondContact OD2-CD2 3.4Å |
| 78 | R | 98.4 | Very high | 98.1 | Very high | 142 Ų | 142 | 43.2 Ų | 43.2 | 54% | 0.536 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -52.1 | -41.4 | -169.7 | 63.7 | -176.2 | -169.7 | 170.5 | 2.1 | 115.3 | M74 E75 R76 A82 L97 L101 | M74-R78 WeakPolarHBondContact O-CA 3.49Å; M74-R78 PolarHBondContact O-N 3.04Å; M74-R78 VanDerWaalsContact O-N 3.09Å; E75-R78 VanDerWaalsContact O-CB 3.25Å; E75-R78 WeakPolarHBondContact O-CB 3.42Å; E75-R78 WeakPolarHBondContact O-CD 3.46Å; E75-R78 WeakPolarHBondContact O-CG 3.36Å; E75-R78 PolarHBondContact O-N 3.03Å; R76-R78 VanDerWaalsContact C-N 3.26Å; R76-R78 PolarHBondContact O-N 3.22Å; R78-A82 VanDerWaalsContact O-CB 3.23Å; R78-A82 WeakPolarHBondContact O-CB 3.16Å; R78-A82 PolarHBondContact O-N 2.88Å; R78-L97 HydrophobicContact CB-CD1 4.35Å; R78-L101 HydrophobicContact CB-CD2 3.25Å |
| 79 | V | 98.2 | Very high | 98.2 | Very high | 82 Ų | 82 | 39.8 Ų | 39.8 | 50% | 0.497 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -68.1 | -41.9 | -179.3 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | D77 S83 | D77-V79 VanDerWaalsContact C-N 3.29Å; D77-V79 PolarHBondContact O-N 3.25Å; D77-V79 VanDerWaalsContact O-N 3.1Å; V79-S83 VanDerWaalsContact O-CB 3.31Å; V79-S83 WeakPolarHBondContact O-CB 3.3Å; V79-S83 PolarHBondContact O-N 3.25Å; V79-S83 PolarHBondContact O-OG 3.46Å |
| 80 | Y | 98.5 | Very high | 98.3 | Very high | 133 Ų | 133 | 38.1 Ų | 38.1 | 52% | 0.522 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.4 | -49.5 | 179.6 | -175.2 | -97.1 | 0 | 0 | 0 | 111.1 | D77 A82 S83 L84 H182 | D77-Y80 WeakPolarHBondContact O-CB 3.47Å; D77-Y80 PolarHBondContact O-N 3.1Å; Y80-A82 PolarHBondContact O-N 2.99Å; Y80-S83 PolarHBondContact O-N 2.77Å; Y80-L84 HydrophobicContact CE1-CD2 4.1Å; Y80-L84 WeakPolarHBondContact O-CB 3.32Å; Y80-L84 PolarHBondContact O-N 2.85Å; Y80-H182 AromaticContact CD1-CD2 3.76Å; Y80-H182 AromaticContact CD1-CE1 3.67Å; Y80-H182 AromaticContact CD1-CG 3.99Å; Y80-H182 AromaticContact CD1-ND1 3.96Å; Y80-H182 AromaticContact CD1-NE2 3.54Å; Y80-H182 HydrophobicContact CE1-CB 4.49Å; Y80-H182 AromaticContact CE1-CD2 3.95Å; Y80-H182 AromaticContact CE1-CE1 3.5Å; Y80-H182 VanDerWaalsContact CE1-CE1 3.5Å; Y80-H182 WeakPolarHBondContact CE1-CE1 3.22Å; Y80-H182 AromaticContact CE1-CG 3.69Å; Y80-H182 AromaticContact CE1-ND1 3.41Å; Y80-H182 WeakPolarHBondContact CE1-ND1 3.42Å; Y80-H182 AromaticContact CE1-NE2 3.82Å |
| 81 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.5 | -46.9 | 177.4 | -82 | 169.5 | 0 | 0 | 0 | 112.2 | M74 D77 S83 L84 E85 L101 L151 T179 H182 V183 L186 | M74-L81 HydrophobicContact CB-CD1 3.92Å; M74-L81 HydrophobicContact CG-CD1 3.95Å; D77-L81 HydrophobicContact CB-CD1 4.28Å; D77-L81 HydrophobicContact CB-CG 4.41Å; D77-L81 PolarHBondContact O-N 3.29Å; L81-S83 VanDerWaalsContact C-N 3.34Å; L81-S83 PolarHBondContact O-N 2.78Å; L81-L84 PolarHBondContact O-N 2.85Å; L81-E85 WeakPolarHBondContact O-CB 3.25Å; L81-E85 PolarHBondContact O-N 3.11Å; L81-L101 HydrophobicContact CB-CD1 4.09Å; L81-L101 HydrophobicContact CD1-CD1 3.85Å; L81-L151 HydrophobicContact CB-CD2 4.32Å; L81-L151 HydrophobicContact CD2-CD1 4.36Å; L81-L151 HydrophobicContact CD2-CD2 4.35Å; L81-T179 HydrophobicContact CD2-CG2 4.46Å; L81-H182 HydrophobicContact CD2-CB 4.22Å; L81-V183 HydrophobicContact CD2-CG2 4.3Å; L81-L186 HydrophobicContact CD1-CD1 4.21Å |
| 82 | A | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R78 Y80 T86 Y93 L97 | R78-A82 VanDerWaalsContact O-CB 3.23Å; R78-A82 WeakPolarHBondContact O-CB 3.16Å; R78-A82 PolarHBondContact O-N 2.88Å; Y80-A82 PolarHBondContact O-N 2.99Å; A82-T86 WeakPolarHBondContact O-CB 3.37Å; A82-T86 PolarHBondContact O-N 3.41Å; A82-T86 PolarHBondContact O-OG1 3.31Å; A82-Y93 HydrophobicContact CB-CD2 4.36Å; A82-Y93 HydrophobicContact CB-CE2 3.75Å; A82-L97 HydrophobicContact CB-CB 3.83Å; A82-L97 HydrophobicContact CB-CD1 3.89Å; A82-L97 HydrophobicContact CB-CG 4.47Å |
| 83 | S | 98.6 | Very high | 98.3 | Very high | 37 Ų | 37 | 37 Ų | 37 | 26% | 0.259 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.1 | -41.9 | 176.5 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | V79 Y80 L81 T86 L87 Y93 F341 | V79-S83 VanDerWaalsContact O-CB 3.31Å; V79-S83 WeakPolarHBondContact O-CB 3.3Å; V79-S83 PolarHBondContact O-N 3.25Å; V79-S83 PolarHBondContact O-OG 3.46Å; Y80-S83 PolarHBondContact O-N 2.77Å; L81-S83 VanDerWaalsContact C-N 3.34Å; L81-S83 PolarHBondContact O-N 2.78Å; S83-T86 PolarHBondContact O-N 3.08Å; S83-L87 VanDerWaalsContact O-CB 3.3Å; S83-L87 WeakPolarHBondContact O-CB 3.19Å; S83-L87 PolarHBondContact O-N 2.79Å; S83-Y93 WeakPolarHBondContact OG-CE2 3.33Å; S83-F341 WeakPolarHBondContact O-CZ 3.45Å |
| 84 | L | 98.4 | Very high | 98.3 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.12 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 177.5 | -167.1 | 61.3 | 0 | 0 | 0 | 111.3 | Y80 L81 T86 L87 D88 L178 T179 H182 | Y80-L84 HydrophobicContact CE1-CD2 4.1Å; Y80-L84 WeakPolarHBondContact O-CB 3.32Å; Y80-L84 PolarHBondContact O-N 2.85Å; L81-L84 PolarHBondContact O-N 2.85Å; L84-T86 PolarHBondContact O-N 2.86Å; L84-L87 PolarHBondContact O-N 3.25Å; L84-D88 VanDerWaalsContact O-CB 3.31Å; L84-D88 WeakPolarHBondContact O-CB 3.44Å; L84-D88 PolarHBondContact O-N 3.03Å; L84-L178 HydrophobicContact CD1-CB 3.72Å; L84-L178 HydrophobicContact CD1-CD1 3.64Å; L84-L178 HydrophobicContact CD1-CG 4.31Å; L84-L178 HydrophobicContact CD2-CB 3.85Å; L84-L178 HydrophobicContact CG-CB 3.66Å; L84-L178 HydrophobicContact CG-CD1 4.43Å; L84-T179 HydrophobicContact CB-CG2 3.9Å; L84-T179 HydrophobicContact CD2-CG2 4.08Å; L84-T179 HydrophobicContact CG-CG2 3.94Å; L84-H182 HydrophobicContact CD2-CB 4.06Å |
| 85 | E | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 175.9 | -165 | 82.6 | 149.3 | 0 | 0 | 110.9 | L81 N89 P150 L151 T179 | L81-E85 WeakPolarHBondContact O-CB 3.25Å; L81-E85 PolarHBondContact O-N 3.11Å; E85-N89 WeakPolarHBondContact O-CB 3.46Å; E85-N89 PolarHBondContact O-N 2.66Å; E85-P150 WeakPolarHBondContact OE1-CD 3.35Å; E85-L151 VanDerWaalsContact OE1-CB 3.24Å; E85-L151 WeakPolarHBondContact OE1-CB 3.46Å; E85-L151 PolarHBondContact OE1-N 2.96Å; E85-T179 HydrophobicContact CB-CG2 3.9Å; E85-T179 VanDerWaalsContact OE2-CB 3.28Å; E85-T179 WeakPolarHBondContact OE2-CB 3.29Å; E85-T179 WeakPolarHBondContact OE2-CG2 3.39Å; E85-T179 PolarHBondContact OE2-OG1 2.64Å |
| 86 | T | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 177.9 | -78.6 | 0 | 0 | 0 | 0 | 113.2 | A82 S83 L84 G90 K91 Y93 S96 P340 F341 | A82-T86 WeakPolarHBondContact O-CB 3.37Å; A82-T86 PolarHBondContact O-N 3.41Å; A82-T86 PolarHBondContact O-OG1 3.31Å; S83-T86 PolarHBondContact O-N 3.08Å; L84-T86 PolarHBondContact O-N 2.86Å; T86-G90 VanDerWaalsContact O-CA 3.29Å; T86-G90 WeakPolarHBondContact O-CA 3.2Å; T86-G90 PolarHBondContact O-N 3.04Å; T86-K91 WeakPolarHBondContact CB-O 3.39Å; T86-K91 VanDerWaalsContact CG2-O 3.23Å; T86-K91 WeakPolarHBondContact CG2-O 3.25Å; T86-K91 PolarHBondContact OG1-O 3.49Å; T86-Y93 VanDerWaalsContact OG1-CA 3.26Å; T86-Y93 WeakPolarHBondContact OG1-CA 3.39Å; T86-Y93 PolarHBondContact OG1-N 3.01Å; T86-S96 WeakPolarHBondContact OG1-CB 3.33Å; T86-S96 PolarHBondContact OG1-OG 3.31Å; T86-P340 HydrophobicContact CG2-CB 3.49Å; T86-P340 VanDerWaalsContact CG2-CB 3.49Å; T86-F341 HydrophobicContact CG2-CD1 4.18Å; T86-F341 HydrophobicContact CG2-CD2 4.02Å; T86-F341 HydrophobicContact CG2-CE1 3.89Å; T86-F341 HydrophobicContact CG2-CE2 3.71Å; T86-F341 HydrophobicContact CG2-CG 4.25Å; T86-F341 HydrophobicContact CG2-CZ 3.65Å |
| 87 | L | 98.5 | Very high | 98.2 | Very high | 52 Ų | 52 | 34.4 Ų | 34.4 | 27% | 0.272 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 178.1 | -179.6 | 65.4 | 0 | 0 | 0 | 111.9 | N20 I27 S83 L84 F341 | N20-L87 WeakPolarHBondContact ND2-CD1 3.19Å; I27-L87 HydrophobicContact CD1-CG 3.93Å; I27-L87 HydrophobicContact CG1-CD1 4.47Å; I27-L87 HydrophobicContact CG1-CD2 4.5Å; I27-L87 HydrophobicContact CG1-CG 4.19Å; I27-L87 HydrophobicContact CG2-CD2 3.85Å; I27-L87 HydrophobicContact CG2-CG 4.42Å; S83-L87 VanDerWaalsContact O-CB 3.3Å; S83-L87 WeakPolarHBondContact O-CB 3.19Å; S83-L87 PolarHBondContact O-N 2.79Å; L84-L87 PolarHBondContact O-N 3.25Å; L87-F341 HydrophobicContact CB-CE2 4.44Å; L87-F341 HydrophobicContact CB-CZ 4.26Å |
| 88 | D | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -80.6 | -37 | -174.8 | -145.6 | 24 | 0 | 0 | 0 | 111.6 | T18 L84 T176 L178 | T18-D88 PolarHBondContact OG1-OD1 3.47Å; L84-D88 VanDerWaalsContact O-CB 3.31Å; L84-D88 WeakPolarHBondContact O-CB 3.44Å; L84-D88 PolarHBondContact O-N 3.03Å; D88-T176 HydrophobicContact CB-CG2 4.37Å; D88-T176 WeakPolarHBondContact OD2-CA 3.49Å; D88-L178 HydrophobicContact CB-CD1 4.14Å; D88-L178 HydrophobicContact CB-CG 4.45Å; D88-L178 WeakPolarHBondContact OD1-CD1 3.49Å; D88-L178 VanDerWaalsContact OD2-CB 3.25Å; D88-L178 WeakPolarHBondContact OD2-CB 3.28Å; D88-L178 WeakPolarHBondContact OD2-CG 3.36Å; D88-L178 PolarHBondContact OD2-N 3.24Å |
| 89 | N | 97.7 | Very high | 98 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -99.8 | -28.1 | -174.8 | 178.2 | -94.3 | 0 | 0 | 0 | 114.9 | P21 E85 K91 W147 T176 | P21-N89 WeakPolarHBondContact CG-O 3.45Å; E85-N89 WeakPolarHBondContact O-CB 3.46Å; E85-N89 PolarHBondContact O-N 2.66Å; N89-K91 VanDerWaalsContact CG-CE 3.47Å; N89-K91 WeakPolarHBondContact OD1-CB 3.46Å; N89-K91 WeakPolarHBondContact OD1-CE 3.42Å; N89-K91 PolarHBondContact OD1-N 3.37Å; N89-W147 PolarHBondContact ND2-O 3Å; N89-T176 HydrophobicContact CB-CG2 4.09Å |
| 90 | G | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 82.3 | 4.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | T86 Q304 P340 G348 P349 | T86-G90 VanDerWaalsContact O-CA 3.29Å; T86-G90 WeakPolarHBondContact O-CA 3.2Å; T86-G90 PolarHBondContact O-N 3.04Å; G90-Q304 PolarHBondContact O-NE2 3.14Å; G90-Q304 VanDerWaalsContact O-NE2 3.11Å; G90-P340 WeakPolarHBondContact O-CG 3.4Å; G90-G348 WeakPolarHBondContact O-CA 3.41Å; G90-P349 WeakPolarHBondContact O-CD 3.25Å | ||
| 91 | K | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -72.7 | 147.6 | 171.8 | 73.4 | -175.4 | 64.9 | -172.5 | 0 | 111.7 | T86 N89 Y93 S96 D100 N148 N303 P340 | T86-K91 WeakPolarHBondContact CB-O 3.39Å; T86-K91 VanDerWaalsContact CG2-O 3.23Å; T86-K91 WeakPolarHBondContact CG2-O 3.25Å; T86-K91 PolarHBondContact OG1-O 3.49Å; N89-K91 VanDerWaalsContact CG-CE 3.47Å; N89-K91 WeakPolarHBondContact OD1-CB 3.46Å; N89-K91 WeakPolarHBondContact OD1-CE 3.42Å; N89-K91 PolarHBondContact OD1-N 3.37Å; K91-Y93 PolarHBondContact O-N 3.43Å; K91-S96 WeakPolarHBondContact CD-OG 3.44Å; K91-S96 WeakPolarHBondContact CG-OG 3.48Å; K91-D100 IonicContact NZ-OD1 3.97Å; K91-D100 IonicContact NZ-OD2 3.05Å; K91-D100 PolarHBondContact NZ-OD2 3.03Å; K91-N148 WeakPolarHBondContact CE-O 3.24Å; K91-N148 PolarHBondContact NZ-O 3.22Å; K91-N303 WeakPolarHBondContact CB-OD1 3.3Å; K91-N303 WeakPolarHBondContact CE-OD1 3.48Å; K91-P340 WeakPolarHBondContact O-CB 3.35Å | ||
| 92 | P | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | trans | -48.8 | 135.5 | 175.4 | -29.1 | 35 | 0 | 0 | 0 | 113 | V94 H95 S96 P340 T345 | P92-V94 HydrophobicContact CB-CG1 4.3Å; P92-V94 PolarHBondContact O-N 3.45Å; P92-V94 VanDerWaalsContact O-N 3.17Å; P92-H95 WeakPolarHBondContact O-CA 3.47Å; P92-H95 WeakPolarHBondContact O-CB 3.22Å; P92-H95 PolarHBondContact O-N 3.13Å; P92-S96 PolarHBondContact O-N 3.38Å; P92-P340 CarbonylContact C-O 3.56Å; P92-P340 WeakPolarHBondContact CA-O 3.38Å; P92-T345 HydrophobicContact CG-CG2 4.36Å | ||
| 93 | Y | 98.5 | Very high | 97.9 | Very high | 55 Ų | 55 | 26.7 Ų | 26.7 | 22% | 0.216 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -53 | -39.5 | -177 | 176.6 | -101.5 | 0 | 0 | 0 | 112.9 | A82 S83 T86 K91 H95 S96 L97 P340 F341 | A82-Y93 HydrophobicContact CB-CD2 4.36Å; A82-Y93 HydrophobicContact CB-CE2 3.75Å; S83-Y93 WeakPolarHBondContact OG-CE2 3.33Å; T86-Y93 VanDerWaalsContact OG1-CA 3.26Å; T86-Y93 WeakPolarHBondContact OG1-CA 3.39Å; T86-Y93 PolarHBondContact OG1-N 3.01Å; K91-Y93 PolarHBondContact O-N 3.43Å; Y93-H95 PolarHBondContact O-N 3.01Å; Y93-S96 PolarHBondContact O-N 3.32Å; Y93-L97 HydrophobicContact CE1-CB 4.33Å; Y93-L97 HydrophobicContact CE1-CD2 3.8Å; Y93-L97 WeakPolarHBondContact O-CB 3.32Å; Y93-L97 PolarHBondContact O-N 3.11Å; Y93-P340 PolarHBondContact N-O 3.18Å; Y93-F341 HydrophobicContact CD2-CD1 4.13Å; Y93-F341 HydrophobicContact CD2-CE1 4Å; Y93-F341 HydrophobicContact CG-CD1 4.35Å |
| 94 | V | 97.1 | Very high | 97.9 | Very high | 80 Ų | 80 | 24.9 Ų | 24.9 | 49% | 0.485 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.3 | -33.7 | 177.7 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | P92 A98 | P92-V94 HydrophobicContact CB-CG1 4.3Å; P92-V94 PolarHBondContact O-N 3.45Å; P92-V94 VanDerWaalsContact O-N 3.17Å; V94-A98 WeakPolarHBondContact O-CB 3.39Å; V94-A98 PolarHBondContact O-N 3.01Å |
| 95 | H | 97.2 | Very high | 97.9 | Very high | 29 Ų | 29 | 24 Ų | 24 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.2 | -46.1 | 175.3 | -59.1 | 163.9 | 0 | 0 | 0 | 110.8 | P92 Y93 L97 I99 D100 F302 | P92-H95 WeakPolarHBondContact O-CA 3.47Å; P92-H95 WeakPolarHBondContact O-CB 3.22Å; P92-H95 PolarHBondContact O-N 3.13Å; Y93-H95 PolarHBondContact O-N 3.01Å; H95-L97 VanDerWaalsContact C-N 3.3Å; H95-L97 PolarHBondContact O-N 2.88Å; H95-I99 HydrophobicContact CB-CD1 4.42Å; H95-I99 WeakPolarHBondContact O-CA 3.38Å; H95-I99 VanDerWaalsContact O-CB 3.3Å; H95-I99 WeakPolarHBondContact O-CB 3.45Å; H95-I99 PolarHBondContact O-N 3.21Å; H95-D100 PolarHBondContact O-N 3.35Å; H95-D100 VanDerWaalsContact O-N 3.13Å; H95-F302 HydrophobicContact CB-CE2 4.01Å; H95-F302 AromaticContact CD2-CE2 3.95Å; H95-F302 AromaticContact CE1-CD2 3.94Å; H95-F302 AromaticContact CG-CE2 3.64Å; H95-F302 AromaticContact ND1-CD2 3.96Å; H95-F302 AromaticContact ND1-CE2 3.7Å |
| 96 | S | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -58.4 | -42.5 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | T86 K91 P92 Y93 L101 | T86-S96 WeakPolarHBondContact OG1-CB 3.33Å; T86-S96 PolarHBondContact OG1-OG 3.31Å; K91-S96 WeakPolarHBondContact CD-OG 3.44Å; K91-S96 WeakPolarHBondContact CG-OG 3.48Å; P92-S96 PolarHBondContact O-N 3.38Å; Y93-S96 PolarHBondContact O-N 3.32Å; S96-L101 WeakPolarHBondContact O-CB 3.5Å; S96-L101 PolarHBondContact O-N 2.89Å |
| 97 | L | 97.8 | Very high | 97.9 | Very high | 55 Ų | 55 | 30.2 Ų | 30.2 | 29% | 0.288 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -76.9 | -51.7 | -177.9 | -177 | 66.2 | 0 | 0 | 0 | 112.7 | R78 A82 Y93 H95 L101 | R78-L97 HydrophobicContact CB-CD1 4.35Å; A82-L97 HydrophobicContact CB-CB 3.83Å; A82-L97 HydrophobicContact CB-CD1 3.89Å; A82-L97 HydrophobicContact CB-CG 4.47Å; Y93-L97 HydrophobicContact CE1-CB 4.33Å; Y93-L97 HydrophobicContact CE1-CD2 3.8Å; Y93-L97 WeakPolarHBondContact O-CB 3.32Å; Y93-L97 PolarHBondContact O-N 3.11Å; H95-L97 VanDerWaalsContact C-N 3.3Å; H95-L97 PolarHBondContact O-N 2.88Å; L97-L101 HydrophobicContact CD1-CD2 4.31Å |
| 98 | A | 96.3 | Very high | 97.9 | Very high | 62 Ų | 62 | 27.8 Ų | 27.8 | 51% | 0.512 | 14% | 0.142 | S | C | . | . | I | π-helix | trans | -88.6 | -16.3 | -169 | 0 | 0 | 0 | 0 | 0 | 114 | V94 | V94-A98 WeakPolarHBondContact O-CB 3.39Å; V94-A98 PolarHBondContact O-N 3.01Å |
| 99 | I | 96.5 | Very high | 97.9 | Very high | 60 Ų | 60 | 31.1 Ų | 31.1 | 31% | 0.308 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -118.3 | -68.1 | -176.5 | -56.2 | 170.3 | 0 | 0 | 0 | 109.8 | H95 L101 E102 L103 F302 | H95-I99 HydrophobicContact CB-CD1 4.42Å; H95-I99 WeakPolarHBondContact O-CA 3.38Å; H95-I99 VanDerWaalsContact O-CB 3.3Å; H95-I99 WeakPolarHBondContact O-CB 3.45Å; H95-I99 PolarHBondContact O-N 3.21Å; I99-L101 PolarHBondContact O-N 2.89Å; I99-E102 PolarHBondContact O-N 2.98Å; I99-L103 HydrophobicContact CG2-CD1 3.83Å; I99-L103 VanDerWaalsContact O-CB 3.29Å; I99-L103 WeakPolarHBondContact O-CB 3.48Å; I99-L103 VanDerWaalsContact O-CG 3.23Å; I99-L103 WeakPolarHBondContact O-CG 3.46Å; I99-L103 PolarHBondContact O-N 2.89Å; I99-F302 HydrophobicContact CD1-CE2 3.49Å; I99-F302 VanDerWaalsContact CD1-CE2 3.49Å; I99-F302 HydrophobicContact CD1-CZ 3.78Å; I99-F302 HydrophobicContact CG2-CZ 4.16Å |
| 100 | D | 97.6 | Very high | 98 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -59.8 | -55.1 | -171.3 | -72.8 | 29.3 | 0 | 0 | 0 | 112.5 | K91 H95 L103 A104 F149 | K91-D100 IonicContact NZ-OD1 3.97Å; K91-D100 IonicContact NZ-OD2 3.05Å; K91-D100 PolarHBondContact NZ-OD2 3.03Å; H95-D100 PolarHBondContact O-N 3.35Å; H95-D100 VanDerWaalsContact O-N 3.13Å; D100-L103 PolarHBondContact O-N 3.32Å; D100-A104 VanDerWaalsContact O-CB 3.29Å; D100-A104 WeakPolarHBondContact O-CB 3.4Å; D100-A104 PolarHBondContact O-N 3.47Å; D100-F149 VanDerWaalsContact OD1-CD1 3.31Å; D100-F149 WeakPolarHBondContact OD1-CD1 3.32Å; D100-F149 WeakPolarHBondContact OD1-CE1 3.23Å; D100-F149 VanDerWaalsContact OD2-CD1 3.31Å; D100-F149 WeakPolarHBondContact OD2-CD1 3.45Å |
| 101 | L | 98 | Very high | 98 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -65.5 | -43.8 | -177.9 | -179.7 | 71.6 | 0 | 0 | 0 | 111.7 | M74 R78 L81 S96 L97 I99 L103 A104 I105 L151 | M74-L101 HydrophobicContact CE-CD1 4.08Å; R78-L101 HydrophobicContact CB-CD2 3.25Å; L81-L101 HydrophobicContact CB-CD1 4.09Å; L81-L101 HydrophobicContact CD1-CD1 3.85Å; S96-L101 WeakPolarHBondContact O-CB 3.5Å; S96-L101 PolarHBondContact O-N 2.89Å; L97-L101 HydrophobicContact CD1-CD2 4.31Å; I99-L101 PolarHBondContact O-N 2.89Å; L101-L103 PolarHBondContact O-N 3.36Å; L101-A104 WeakPolarHBondContact O-CB 3.36Å; L101-A104 PolarHBondContact O-N 3.5Å; L101-I105 HydrophobicContact CD1-CD1 4.03Å; L101-I105 HydrophobicContact CD1-CG1 4.33Å; L101-I105 HydrophobicContact CD2-CD1 4.3Å; L101-I105 HydrophobicContact CG-CD1 3.78Å; L101-I105 HydrophobicContact CG-CG1 4.42Å; L101-I105 WeakPolarHBondContact O-CB 3.41Å; L101-I105 VanDerWaalsContact O-CG1 3.31Å; L101-I105 WeakPolarHBondContact O-CG1 3.35Å; L101-I105 PolarHBondContact O-N 3.47Å; L101-L151 HydrophobicContact CB-CD2 4.43Å; L101-L151 HydrophobicContact CD1-CD2 3.52Å |
| 102 | E | 97.8 | Very high | 98 | Very high | 61 Ų | 61 | 33.5 Ų | 33.5 | 29% | 0.285 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 179.1 | -179.4 | 62 | -164.8 | 0 | 0 | 111 | I99 A104 I105 R106 | I99-E102 PolarHBondContact O-N 2.98Å; E102-A104 VanDerWaalsContact C-N 3.34Å; E102-A104 PolarHBondContact O-N 2.97Å; E102-I105 PolarHBondContact O-N 3.37Å; E102-R106 WeakPolarHBondContact O-CB 3.31Å; E102-R106 VanDerWaalsContact O-CG 3.27Å; E102-R106 WeakPolarHBondContact O-CG 3.15Å; E102-R106 PolarHBondContact O-N 2.83Å; E102-R106 IonicContact OE1-CZ 3.6Å; E102-R106 IonicContact OE1-NE 3.93Å; E102-R106 PolarHBondContact OE1-NE 2.84Å; E102-R106 IonicContact OE1-NH2 2.66Å; E102-R106 PolarHBondContact OE1-NH2 3.1Å |
| 103 | L | 98.2 | Very high | 98 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.4 | -35.5 | 176.4 | -68.9 | 176.3 | 0 | 0 | 0 | 112.1 | I99 D100 L101 C107 L152 | I99-L103 HydrophobicContact CG2-CD1 3.83Å; I99-L103 VanDerWaalsContact O-CB 3.29Å; I99-L103 WeakPolarHBondContact O-CB 3.48Å; I99-L103 VanDerWaalsContact O-CG 3.23Å; I99-L103 WeakPolarHBondContact O-CG 3.46Å; I99-L103 PolarHBondContact O-N 2.89Å; D100-L103 PolarHBondContact O-N 3.32Å; L101-L103 PolarHBondContact O-N 3.36Å; L103-C107 VanDerWaalsContact O-CB 3.24Å; L103-C107 WeakPolarHBondContact O-CB 2.85Å; L103-C107 PolarHBondContact O-N 2.92Å; L103-L152 HydrophobicContact CB-CD1 3.5Å; L103-L152 VanDerWaalsContact CB-CD1 3.5Å; L103-L152 HydrophobicContact CD1-CD2 4.35Å |
| 104 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M74 D100 L101 E102 C107 L108 L151 L152 A155 | M74-A104 HydrophobicContact CE-CB 3.99Å; D100-A104 VanDerWaalsContact O-CB 3.29Å; D100-A104 WeakPolarHBondContact O-CB 3.4Å; D100-A104 PolarHBondContact O-N 3.47Å; L101-A104 WeakPolarHBondContact O-CB 3.36Å; L101-A104 PolarHBondContact O-N 3.5Å; E102-A104 VanDerWaalsContact C-N 3.34Å; E102-A104 PolarHBondContact O-N 2.97Å; A104-C107 WeakPolarHBondContact O-CB 3.47Å; A104-C107 PolarHBondContact O-N 3.46Å; A104-L108 PolarHBondContact O-N 2.99Å; A104-L151 HydrophobicContact CB-CG 4.27Å; A104-L152 HydrophobicContact CB-CD1 4.28Å; A104-A155 HydrophobicContact CB-CB 3.75Å |
| 105 | I | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 176.8 | -70.4 | 167.9 | 0 | 0 | 0 | 110.4 | A71 M74 E75 L101 E102 C107 L108 R109 | A71-I105 HydrophobicContact CB-CG2 4.26Å; M74-I105 HydrophobicContact CB-CD1 4.41Å; M74-I105 HydrophobicContact CB-CG1 4.02Å; M74-I105 HydrophobicContact CE-CG1 4.37Å; E75-I105 HydrophobicContact CB-CD1 3.92Å; E75-I105 HydrophobicContact CG-CD1 4.41Å; L101-I105 HydrophobicContact CD1-CD1 4.03Å; L101-I105 HydrophobicContact CD1-CG1 4.33Å; L101-I105 HydrophobicContact CD2-CD1 4.3Å; L101-I105 HydrophobicContact CG-CD1 3.78Å; L101-I105 HydrophobicContact CG-CG1 4.42Å; L101-I105 WeakPolarHBondContact O-CB 3.41Å; L101-I105 VanDerWaalsContact O-CG1 3.31Å; L101-I105 WeakPolarHBondContact O-CG1 3.35Å; L101-I105 PolarHBondContact O-N 3.47Å; E102-I105 PolarHBondContact O-N 3.37Å; I105-C107 VanDerWaalsContact C-N 3.32Å; I105-C107 PolarHBondContact O-N 2.59Å; I105-L108 PolarHBondContact O-N 2.75Å; I105-R109 VanDerWaalsContact CG2-NH1 3.31Å; I105-R109 WeakPolarHBondContact O-CG 3.12Å; I105-R109 PolarHBondContact O-N 3.1Å |
| 106 | R | 98.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 32.8 Ų | 32.8 | 50% | 0.498 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 176.5 | -74.3 | 179.7 | -174.4 | -167.4 | 7.1 | 112.3 | E102 R109 Y110 | E102-R106 WeakPolarHBondContact O-CB 3.31Å; E102-R106 VanDerWaalsContact O-CG 3.27Å; E102-R106 WeakPolarHBondContact O-CG 3.15Å; E102-R106 PolarHBondContact O-N 2.83Å; E102-R106 IonicContact OE1-CZ 3.6Å; E102-R106 IonicContact OE1-NE 3.93Å; E102-R106 PolarHBondContact OE1-NE 2.84Å; E102-R106 IonicContact OE1-NH2 2.66Å; E102-R106 PolarHBondContact OE1-NH2 3.1Å; R106-R109 PolarHBondContact O-N 3.07Å; R106-Y110 VanDerWaalsContact O-CB 3.29Å; R106-Y110 WeakPolarHBondContact O-CB 3.25Å; R106-Y110 PolarHBondContact O-N 3.06Å |
| 107 | C | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | L103 A104 I105 Y110 Y111 A155 | L103-C107 VanDerWaalsContact O-CB 3.24Å; L103-C107 WeakPolarHBondContact O-CB 2.85Å; L103-C107 PolarHBondContact O-N 2.92Å; A104-C107 WeakPolarHBondContact O-CB 3.47Å; A104-C107 PolarHBondContact O-N 3.46Å; I105-C107 VanDerWaalsContact C-N 3.32Å; I105-C107 PolarHBondContact O-N 2.59Å; C107-Y110 PolarHBondContact O-N 3.25Å; C107-Y111 WeakPolarHBondContact O-CD2 3.42Å; C107-Y111 PolarHBondContact O-N 2.95Å; C107-A155 HydrophobicContact CB-CB 4.49Å |
| 108 | L | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.6 | -68.5 | 176.9 | 0 | 0 | 0 | 111.8 | L67 L70 A71 M74 A104 I105 Y110 Y111 A112 A155 I158 | L67-L108 HydrophobicContact CD2-CD2 4.13Å; L70-L108 HydrophobicContact CD2-CD1 4.06Å; L70-L108 HydrophobicContact CD2-CD2 4.47Å; L70-L108 HydrophobicContact CG-CD1 4.03Å; A71-L108 HydrophobicContact CB-CB 3.99Å; A71-L108 HydrophobicContact CB-CD1 4.41Å; M74-L108 HydrophobicContact CE-CD1 4.33Å; M74-L108 HydrophobicContact SD-CD1 3.35Å; M74-L108 WeakPolarHBondContact SD-CD1 3.26Å; A104-L108 PolarHBondContact O-N 2.99Å; I105-L108 PolarHBondContact O-N 2.75Å; L108-Y110 VanDerWaalsContact C-N 3.33Å; L108-Y110 PolarHBondContact O-N 3.32Å; L108-Y111 PolarHBondContact O-N 2.89Å; L108-A112 VanDerWaalsContact O-CB 3.3Å; L108-A112 WeakPolarHBondContact O-CB 3.31Å; L108-A112 PolarHBondContact O-N 3.15Å; L108-A155 HydrophobicContact CD2-CB 4.42Å; L108-A155 HydrophobicContact CG-CB 4.24Å; L108-I158 HydrophobicContact CD2-CG1 4.19Å |
| 109 | R | 98.6 | Very high | 98.1 | Very high | 70 Ų | 70 | 40 Ų | 40 | 26% | 0.264 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 176.9 | -72.3 | 176.4 | 170.3 | 156.4 | -2.5 | 112.1 | A71 D72 E75 I105 R106 A112 G113 | A71-R109 HydrophobicContact CB-CG 3.72Å; D72-R109 IonicContact OD1-CZ 2.88Å; D72-R109 IonicContact OD1-NE 3.26Å; D72-R109 IonicContact OD1-NH2 3.63Å; D72-R109 PolarHBondContact OD1-NH2 2.96Å; E75-R109 VanDerWaalsContact CD-NH2 3.33Å; E75-R109 IonicContact OE1-CZ 2.65Å; E75-R109 IonicContact OE1-NH1 2.64Å; E75-R109 PolarHBondContact OE1-NH1 2.92Å; E75-R109 IonicContact OE1-NH2 3.97Å; E75-R109 IonicContact OE2-CZ 2.71Å; E75-R109 IonicContact OE2-NH1 3.76Å; E75-R109 IonicContact OE2-NH2 3.91Å; E75-R109 PolarHBondContact OE2-NH2 3.5Å; I105-R109 VanDerWaalsContact CG2-NH1 3.31Å; I105-R109 WeakPolarHBondContact O-CG 3.12Å; I105-R109 PolarHBondContact O-N 3.1Å; R106-R109 PolarHBondContact O-N 3.07Å; R109-A112 WeakPolarHBondContact O-CB 3.47Å; R109-G113 PolarHBondContact O-N 3.42Å |
| 110 | Y | 98.7 | Very high | 98.1 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 18% | 0.18 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -50.9 | 176.3 | 173.5 | -102.7 | 0 | 0 | 0 | 111.6 | R106 C107 L108 A112 G113 W114 A467 T468 G484 Q485 | R106-Y110 VanDerWaalsContact O-CB 3.29Å; R106-Y110 WeakPolarHBondContact O-CB 3.25Å; R106-Y110 PolarHBondContact O-N 3.06Å; C107-Y110 PolarHBondContact O-N 3.25Å; L108-Y110 VanDerWaalsContact C-N 3.33Å; L108-Y110 PolarHBondContact O-N 3.32Å; Y110-A112 VanDerWaalsContact C-N 3.34Å; Y110-A112 PolarHBondContact O-N 3.31Å; Y110-G113 PolarHBondContact O-N 3.36Å; Y110-G113 VanDerWaalsContact O-N 3.15Å; Y110-W114 AromaticContact CE1-CD1 3.58Å; Y110-W114 AromaticContact CE1-NE1 3.46Å; Y110-W114 AromaticContact CE2-CD1 3.97Å; Y110-W114 AromaticContact CE2-NE1 3.39Å; Y110-W114 AromaticContact CZ-CD1 3.58Å; Y110-W114 AromaticContact CZ-NE1 2.97Å; Y110-W114 PolarHBondContact O-N 2.81Å; Y110-W114 PolarHBondContact OH-NE1 3.42Å; Y110-A467 HydrophobicContact CD1-CB 3.95Å; Y110-A467 WeakPolarHBondContact CD1-O 3.18Å; Y110-A467 HydrophobicContact CD2-CB 4.46Å; Y110-A467 WeakPolarHBondContact CE1-O 3.26Å; Y110-A467 HydrophobicContact CG-CB 3.78Å; Y110-T468 HydrophobicContact CD2-CG2 3.93Å; Y110-T468 HydrophobicContact CE2-CG2 3.6Å; Y110-G484 VanDerWaalsContact OH-C 3.31Å; Y110-G484 WeakPolarHBondContact OH-CA 3.27Å; Y110-Q485 PolarHBondContact OH-N 2.81Å |
| 111 | Y | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.8 | -27.1 | -180 | -78.1 | -60.2 | 0 | 0 | 0 | 113.8 | C107 L108 G113 W114 A115 P160 A163 L483 G484 L488 | C107-Y111 WeakPolarHBondContact O-CD2 3.42Å; C107-Y111 PolarHBondContact O-N 2.95Å; L108-Y111 PolarHBondContact O-N 2.89Å; Y111-G113 PolarHBondContact O-N 3.2Å; Y111-W114 PolarHBondContact O-N 3.27Å; Y111-A115 PolarHBondContact O-N 2.88Å; Y111-P160 HydrophobicContact CD1-CB 3.92Å; Y111-P160 HydrophobicContact CD2-CB 4.32Å; Y111-P160 HydrophobicContact CD2-CG 4.3Å; Y111-P160 HydrophobicContact CE1-CB 3.63Å; Y111-P160 HydrophobicContact CE1-CG 4.36Å; Y111-P160 HydrophobicContact CE2-CB 4.01Å; Y111-P160 VanDerWaalsContact CE2-CD 3.49Å; Y111-P160 HydrophobicContact CE2-CG 3.85Å; Y111-P160 HydrophobicContact CG-CB 4.24Å; Y111-A163 WeakPolarHBondContact O-CB 3.48Å; Y111-L483 HydrophobicContact CE2-CD2 4.36Å; Y111-L483 WeakPolarHBondContact OH-CA 3.47Å; Y111-L483 PolarHBondContact OH-N 3.45Å; Y111-L483 VanDerWaalsContact OH-N 3.14Å; Y111-L483 PolarHBondContact OH-O 2.64Å; Y111-G484 PolarHBondContact OH-O 2.82Å; Y111-L488 HydrophobicContact CD1-CD2 3.7Å; Y111-L488 HydrophobicContact CD1-CG 4.46Å; Y111-L488 HydrophobicContact CE1-CD2 3.61Å; Y111-L488 HydrophobicContact CE1-CG 3.99Å |
| 112 | A | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.7 | -43.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G64 L67 H68 L108 R109 Y110 W114 A115 | G64-A112 WeakPolarHBondContact CA-O 3.22Å; G64-A112 WeakPolarHBondContact O-CB 3.43Å; L67-A112 HydrophobicContact CB-CB 3.61Å; L67-A112 HydrophobicContact CD1-CB 4.5Å; H68-A112 VanDerWaalsContact CD2-CB 3.44Å; H68-A112 WeakPolarHBondContact CD2-CB 3.33Å; H68-A112 WeakPolarHBondContact NE2-CB 3.12Å; L108-A112 VanDerWaalsContact O-CB 3.3Å; L108-A112 WeakPolarHBondContact O-CB 3.31Å; L108-A112 PolarHBondContact O-N 3.15Å; R109-A112 WeakPolarHBondContact O-CB 3.47Å; Y110-A112 VanDerWaalsContact C-N 3.34Å; Y110-A112 PolarHBondContact O-N 3.31Å; A112-W114 PolarHBondContact O-N 3.09Å; A112-A115 WeakPolarHBondContact O-CB 3.26Å; A112-A115 PolarHBondContact O-N 3.48Å |
| 113 | G | 98.3 | Very high | 98 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.5 | -20.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R109 Y110 Y111 K117 | R109-G113 PolarHBondContact O-N 3.42Å; Y110-G113 PolarHBondContact O-N 3.36Å; Y110-G113 VanDerWaalsContact O-N 3.15Å; Y111-G113 PolarHBondContact O-N 3.2Å; G113-K117 WeakPolarHBondContact O-CD 3.16Å; G113-K117 WeakPolarHBondContact O-CE 3.43Å; G113-K117 PolarHBondContact O-NZ 3.02Å |
| 114 | W | 98.5 | Very high | 97.7 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 19% | 0.186 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -88.5 | -18.7 | 177 | -84.5 | 103.2 | 0 | 0 | 0 | 114.4 | Y110 Y111 A112 D116 K117 I118 Q485 L488 | Y110-W114 AromaticContact CE1-CD1 3.58Å; Y110-W114 AromaticContact CE1-NE1 3.46Å; Y110-W114 AromaticContact CE2-CD1 3.97Å; Y110-W114 AromaticContact CE2-NE1 3.39Å; Y110-W114 AromaticContact CZ-CD1 3.58Å; Y110-W114 AromaticContact CZ-NE1 2.97Å; Y110-W114 PolarHBondContact O-N 2.81Å; Y110-W114 PolarHBondContact OH-NE1 3.42Å; Y111-W114 PolarHBondContact O-N 3.27Å; A112-W114 PolarHBondContact O-N 3.09Å; W114-D116 PolarHBondContact O-N 2.88Å; W114-K117 HydrophobicContact CE3-CB 3.74Å; W114-K117 HydrophobicContact CZ3-CB 4.08Å; W114-K117 PolarHBondContact O-N 2.9Å; W114-I118 WeakPolarHBondContact O-CG1 3.42Å; W114-Q485 HydrophobicContact CH2-CB 3.93Å; W114-Q485 HydrophobicContact CH2-CG 3.6Å; W114-Q485 HydrophobicContact CZ2-CB 3.81Å; W114-Q485 HydrophobicContact CZ2-CG 4.02Å; W114-Q485 HydrophobicContact CZ3-CG 4.12Å; W114-L488 HydrophobicContact CB-CD1 4.04Å; W114-L488 HydrophobicContact CB-CD2 4.44Å; W114-L488 HydrophobicContact CD2-CD1 3.58Å; W114-L488 HydrophobicContact CE3-CD1 3.58Å; W114-L488 HydrophobicContact CG-CD1 3.8Å; W114-L488 HydrophobicContact CZ3-CD1 4.27Å |
| 115 | A | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -32.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P60 R63 Y111 A112 A163 | P60-A115 VanDerWaalsContact CB-O 3.32Å; P60-A115 WeakPolarHBondContact CB-O 3.05Å; P60-A115 VanDerWaalsContact O-CB 3.3Å; P60-A115 WeakPolarHBondContact O-CB 3.46Å; R63-A115 HydrophobicContact CB-CB 4.25Å; R63-A115 PolarHBondContact NH2-O 3.24Å; Y111-A115 PolarHBondContact O-N 2.88Å; A112-A115 WeakPolarHBondContact O-CB 3.26Å; A112-A115 PolarHBondContact O-N 3.48Å; A115-A163 HydrophobicContact CB-CB 4.21Å |
| 116 | D | 97.3 | Very high | 96.9 | Very high | 72 Ų | 72 | 61.5 Ų | 61.5 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 7.6 | 177.6 | 69.2 | -9.6 | 0 | 0 | 0 | 115.2 | P60 C61 W114 | P60-D116 HydrophobicContact CB-CB 3.86Å; C61-D116 HydrophobicContact CB-CB 4.38Å; W114-D116 PolarHBondContact O-N 2.88Å |
| 117 | K | 98.1 | Very high | 96.3 | Very high | 99 Ų | 99 | 61 Ų | 61 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | trans | -112.1 | 11.9 | 179.9 | -68.1 | 169.7 | -164.6 | 62.7 | 0 | 113.2 | G113 W114 H119 | G113-K117 WeakPolarHBondContact O-CD 3.16Å; G113-K117 WeakPolarHBondContact O-CE 3.43Å; G113-K117 PolarHBondContact O-NZ 3.02Å; W114-K117 HydrophobicContact CE3-CB 3.74Å; W114-K117 HydrophobicContact CZ3-CB 4.08Å; W114-K117 PolarHBondContact O-N 2.9Å; K117-H119 PolarHBondContact O-N 3.37Å; K117-H119 PolarHBondContact O-ND1 3.06Å | ||
| 118 | I | 97.2 | Very high | 95.6 | Very high | 36 Ų | 36 | 62.8 Ų | 62.8 | 19% | 0.185 | 34% | 0.344 | C | S | . | . | trans | -87.1 | 99 | 176.5 | -63.4 | 156.6 | 0 | 0 | 0 | 108.7 | W114 R135 C164 L488 T492 | W114-I118 WeakPolarHBondContact O-CG1 3.42Å; I118-R135 HydrophobicContact CG2-CB 3.67Å; I118-R135 HydrophobicContact CG2-CG 4.44Å; I118-C164 HydrophobicContact CD1-CB 4.31Å; I118-C164 VanDerWaalsContact CD1-SG 3.56Å; I118-L488 HydrophobicContact CD1-CD2 4.33Å; I118-L488 HydrophobicContact CG1-CD1 4.2Å; I118-T492 HydrophobicContact CG2-CG2 3.97Å | ||
| 119 | H | 97.1 | Very high | 95.2 | Very high | 134 Ų | 134 | 66.7 Ų | 66.7 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | trans | -108.4 | 146.9 | -173.5 | -53.7 | 131.1 | 0 | 0 | 0 | 113.4 | K117 R135 | K117-H119 PolarHBondContact O-N 3.37Å; K117-H119 PolarHBondContact O-ND1 3.06Å; H119-R135 VanDerWaalsContact O-CG 3.26Å; H119-R135 WeakPolarHBondContact O-CG 3.3Å | ||
| 120 | G | 96.8 | Very high | 94.9 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 32% | 0.32 | 36% | 0.364 | S | S | . | . | trans | -77.1 | -165.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T133 | G120-T133 VanDerWaalsContact CA-O 3.31Å; G120-T133 WeakPolarHBondContact CA-O 3.5Å | ||
| 121 | K | 97.6 | Very high | 94.7 | Very high | 156 Ų | 156 | 65.1 Ų | 65.1 | 68% | 0.678 | 36% | 0.356 | S | S | * | . | trans | -134.3 | 147.3 | 178.9 | -61.4 | -176.2 | 179.3 | -178.6 | 0 | 110.2 | L123 Y132 T133 | K121-L123 HydrophobicContact CB-CD2 4.18Å; K121-Y132 CarbonylContact O-C 3.57Å; K121-Y132 WeakPolarHBondContact O-CA 3.36Å; K121-T133 PolarHBondContact N-OG1 3.5Å; K121-T133 PolarHBondContact O-N 3.18Å | ||
| 122 | T | 97 | Very high | 94.6 | Very high | 106 Ų | 106 | 68.9 Ų | 68.9 | 65% | 0.65 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 137.1 | 160.6 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | F130 | T122-F130 HydrophobicContact CG2-CE2 4.27Å; T122-F130 HydrophobicContact CG2-CZ 4.41Å |
| 123 | L | 95.7 | Very high | 94.6 | Very high | 62 Ų | 62 | 69.8 Ų | 69.8 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.3 | -171.5 | -54.9 | 178.8 | 0 | 0 | 0 | 111.1 | K121 V125 A131 T133 | K121-L123 HydrophobicContact CB-CD2 4.18Å; L123-V125 HydrophobicContact CB-CG1 4.19Å; L123-V125 PolarHBondContact O-N 3.46Å; L123-A131 HydrophobicContact CB-CB 4.07Å; L123-A131 HydrophobicContact CD1-CB 4.36Å; L123-A131 PolarHBondContact N-O 2.91Å; L123-T133 HydrophobicContact CD1-CG2 3.96Å; L123-T133 HydrophobicContact CD2-CG2 4.42Å; L123-T133 HydrophobicContact CG-CG2 4.38Å |
| 124 | P | 93.9 | Very high | 94.6 | Very high | 138 Ų | 138 | 74.2 Ų | 74.2 | 90% | 0.896 | 38% | 0.384 | S | S | * | . | trans | -78.8 | 70.9 | 178.1 | 34 | -35.6 | 0 | 0 | 0 | 110.8 | ||||
| 125 | V | 90.5 | Very high | 94.5 | Very high | 63 Ų | 63 | 75.5 Ų | 75.5 | 38% | 0.382 | 39% | 0.388 | S | S | . | . | trans | -81.1 | 177.8 | 174.1 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | L123 Y129 A131 | L123-V125 HydrophobicContact CB-CG1 4.19Å; L123-V125 PolarHBondContact O-N 3.46Å; V125-Y129 WeakPolarHBondContact CG2-O 3.45Å; V125-A131 HydrophobicContact CB-CB 4.32Å; V125-A131 HydrophobicContact CG1-CB 3.67Å; V125-A131 HydrophobicContact CG2-CB 3.65Å | ||
| 126 | S | 89.1 | Confident | 94.5 | Very high | 62 Ų | 62 | 76.9 Ų | 76.9 | 43% | 0.434 | 39% | 0.394 | S | S | . | . | trans | -46.7 | 138 | 172.8 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | K128 Y129 | S126-K128 PolarHBondContact O-N 3Å; S126-Y129 PolarHBondContact O-N 2.79Å | ||
| 127 | P | 84.9 | Confident | 94.5 | Very high | 120 Ų | 120 | 74.4 Ų | 74.4 | 78% | 0.779 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -23.3 | -175.8 | -28.3 | 34.7 | 0 | 0 | 0 | 115.3 | Y129 S501 | P127-Y129 PolarHBondContact O-N 2.71Å; P127-S501 PolarHBondContact O-OG 2.87Å |
| 128 | K | 84.8 | Confident | 94.5 | Very high | 39 Ų | 39 | 70.6 Ų | 70.6 | 17% | 0.17 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -19.6 | 174.9 | -66.2 | 174.9 | 169.7 | -179 | 0 | 113.8 | S126 S501 V509 E513 | S126-K128 PolarHBondContact O-N 3Å; K128-S501 VanDerWaalsContact C-OG 3.29Å; K128-S501 WeakPolarHBondContact O-CB 3.49Å; K128-S501 PolarHBondContact O-N 3.38Å; K128-S501 PolarHBondContact O-OG 2.8Å; K128-V509 HydrophobicContact CD-CG1 4.16Å; K128-E513 IonicContact NZ-OE1 2.69Å; K128-E513 PolarHBondContact NZ-OE1 2.97Å |
| 129 | Y | 89.4 | Confident | 94.6 | Very high | 84 Ų | 84 | 69.3 Ų | 69.3 | 33% | 0.329 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147 | -174.7 | -58.5 | -77.1 | 0 | 0 | 0 | 111.5 | V125 S126 P127 R499 I500 S501 | V125-Y129 WeakPolarHBondContact CG2-O 3.45Å; S126-Y129 PolarHBondContact O-N 2.79Å; P127-Y129 PolarHBondContact O-N 2.71Å; Y129-R499 CarbonylContact C-O 3.54Å; Y129-R499 VanDerWaalsContact CA-O 3.27Å; Y129-R499 WeakPolarHBondContact CA-O 3.49Å; Y129-I500 HydrophobicContact CD1-CG1 4.19Å; Y129-I500 HydrophobicContact CE1-CG1 3.92Å; Y129-S501 WeakPolarHBondContact CA-OG 3.44Å; Y129-S501 PolarHBondContact N-OG 2.99Å; Y129-S501 PolarHBondContact O-OG 2.89Å |
| 130 | F | 92.2 | Very high | 94.6 | Very high | 83 Ų | 83 | 63 Ų | 63 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.6 | 162.9 | 172.8 | -111.3 | 0 | 0 | 0 | 108.4 | T122 Y132 S498 R499 S501 | T122-F130 HydrophobicContact CG2-CE2 4.27Å; T122-F130 HydrophobicContact CG2-CZ 4.41Å; F130-Y132 HydrophobicContact CD1-CD1 4.23Å; F130-Y132 AromaticContact CE1-CD1 3.62Å; F130-Y132 HydrophobicContact CE1-CD1 3.62Å; F130-Y132 HydrophobicContact CE1-CE1 4.24Å; F130-Y132 HydrophobicContact CE1-CG 4.4Å; F130-Y132 HydrophobicContact CZ-CD1 4.22Å; F130-S498 WeakPolarHBondContact O-CA 3.45Å; F130-R499 HydrophobicContact CB-CG 4.08Å; F130-R499 HydrophobicContact CD1-CG 4.1Å; F130-R499 PolarHBondContact N-O 3.23Å; F130-R499 PolarHBondContact O-N 2.87Å; F130-S501 PolarHBondContact N-OG 3.5Å |
| 131 | A | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L123 V125 V497 | L123-A131 HydrophobicContact CB-CB 4.07Å; L123-A131 HydrophobicContact CD1-CB 4.36Å; L123-A131 PolarHBondContact N-O 2.91Å; V125-A131 HydrophobicContact CB-CB 4.32Å; V125-A131 HydrophobicContact CG1-CB 3.67Å; V125-A131 HydrophobicContact CG2-CB 3.65Å; A131-V497 WeakPolarHBondContact CA-O 3.27Å |
| 132 | Y | 97.4 | Very high | 94.8 | Very high | 79 Ų | 79 | 54.1 Ų | 54.1 | 31% | 0.31 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 161.3 | 174.9 | 70.9 | -81.8 | 0 | 0 | 0 | 111.1 | K121 F130 R134 V497 | K121-Y132 CarbonylContact O-C 3.57Å; K121-Y132 WeakPolarHBondContact O-CA 3.36Å; F130-Y132 HydrophobicContact CD1-CD1 4.23Å; F130-Y132 AromaticContact CE1-CD1 3.62Å; F130-Y132 HydrophobicContact CE1-CD1 3.62Å; F130-Y132 HydrophobicContact CE1-CE1 4.24Å; F130-Y132 HydrophobicContact CE1-CG 4.4Å; F130-Y132 HydrophobicContact CZ-CD1 4.22Å; Y132-R134 HydrophobicContact CD2-CG 4.28Å; Y132-R134 HydrophobicContact CE2-CG 3.8Å; Y132-V497 HydrophobicContact CD1-CB 4.14Å; Y132-V497 HydrophobicContact CD1-CG1 4.47Å; Y132-V497 HydrophobicContact CE1-CB 3.62Å; Y132-V497 HydrophobicContact CE1-CG1 3.62Å; Y132-V497 HydrophobicContact CE1-CG2 4.47Å; Y132-V497 HydrophobicContact CE2-CB 4.19Å; Y132-V497 HydrophobicContact CE2-CG2 4.28Å; Y132-V497 PolarHBondContact N-O 3.49Å; Y132-V497 PolarHBondContact O-N 3.25Å |
| 133 | T | 98.3 | Very high | 94.9 | Very high | 22 Ų | 22 | 49 Ų | 49 | 14% | 0.135 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 155.3 | 172.5 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | G120 K121 L123 V494 K495 | G120-T133 VanDerWaalsContact CA-O 3.31Å; G120-T133 WeakPolarHBondContact CA-O 3.5Å; K121-T133 PolarHBondContact N-OG1 3.5Å; K121-T133 PolarHBondContact O-N 3.18Å; L123-T133 HydrophobicContact CD1-CG2 3.96Å; L123-T133 HydrophobicContact CD2-CG2 4.42Å; L123-T133 HydrophobicContact CG-CG2 4.38Å; T133-V494 HydrophobicContact CG2-CG1 4.15Å; T133-K495 CarbonylContact C-O 3.4Å; T133-K495 WeakPolarHBondContact CA-O 3.33Å |
| 134 | R | 97.1 | Very high | 95 | Very high | 122 Ų | 122 | 46.7 Ų | 46.7 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.5 | 167.3 | -69.7 | 162.5 | 56.3 | 120.7 | 0.7 | 108.6 | Y132 E136 V494 K495 | Y132-R134 HydrophobicContact CD2-CG 4.28Å; Y132-R134 HydrophobicContact CE2-CG 3.8Å; R134-E136 HydrophobicContact CB-CG 4.09Å; R134-E136 IonicContact CZ-OE1 2.86Å; R134-E136 IonicContact NE-OE1 2.85Å; R134-E136 PolarHBondContact NE-OE1 2.86Å; R134-E136 IonicContact NH2-OE1 3.33Å; R134-E136 PolarHBondContact NH2-OE1 2.79Å; R134-V494 WeakPolarHBondContact O-CA 3.46Å; R134-K495 HydrophobicContact CB-CB 4.43Å; R134-K495 PolarHBondContact N-O 2.95Å; R134-K495 PolarHBondContact O-N 2.87Å |
| 135 | R | 97.3 | Very high | 95.3 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 29% | 0.287 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 93.2 | 171.7 | -66.3 | -77.2 | -83.2 | -162.8 | -14.7 | 107.3 | I118 H119 D489 T492 | I118-R135 HydrophobicContact CG2-CB 3.67Å; I118-R135 HydrophobicContact CG2-CG 4.44Å; H119-R135 VanDerWaalsContact O-CG 3.26Å; H119-R135 WeakPolarHBondContact O-CG 3.3Å; R135-D489 IonicContact CZ-OD1 3.99Å; R135-D489 IonicContact NH1-OD1 3.77Å; R135-D489 IonicContact NH2-OD1 2.59Å; R135-D489 PolarHBondContact NH2-OD1 3.45Å; R135-T492 HydrophobicContact CB-CG2 4.33Å; R135-T492 PolarHBondContact NE-OG1 2.82Å; R135-T492 VanDerWaalsContact NE-OG1 3.14Å; R135-T492 PolarHBondContact NH1-OG1 2.83Å; R135-T492 PolarHBondContact NH2-OG1 3.46Å |
| 136 | E | 97.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 38 Ų | 38 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 153.9 | -177.8 | -58.9 | -169.1 | 165.3 | 0 | 0 | 109.8 | R134 T492 E493 K495 | R134-E136 HydrophobicContact CB-CG 4.09Å; R134-E136 IonicContact CZ-OE1 2.86Å; R134-E136 IonicContact NE-OE1 2.85Å; R134-E136 PolarHBondContact NE-OE1 2.86Å; R134-E136 IonicContact NH2-OE1 3.33Å; R134-E136 PolarHBondContact NH2-OE1 2.79Å; E136-T492 CarbonylContact O-C 3.47Å; E136-T492 WeakPolarHBondContact O-CA 3.16Å; E136-E493 PolarHBondContact N-O 3.46Å; E136-E493 PolarHBondContact O-N 2.82Å; E136-K495 IonicContact OE1-NZ 2.67Å; E136-K495 PolarHBondContact OE1-NZ 3.08Å; E136-K495 VanDerWaalsContact OE2-CE 3.3Å; E136-K495 WeakPolarHBondContact OE2-CE 3.34Å; E136-K495 IonicContact OE2-NZ 3.51Å; E136-K495 PolarHBondContact OE2-NZ 3.26Å |
| 137 | P | 98 | Very high | 96.1 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 13% | 0.13 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 146.7 | 166.6 | 22.7 | -32 | 0 | 0 | 0 | 110.1 | R56 G139 C164 G165 N166 | R56-P137 VanDerWaalsContact CZ-CG 3.45Å; P137-G139 VanDerWaalsContact C-N 3.28Å; P137-G139 PolarHBondContact O-N 2.93Å; P137-C164 WeakPolarHBondContact CB-O 3.34Å; P137-G165 VanDerWaalsContact CB-C 3.49Å; P137-G165 WeakPolarHBondContact CB-O 3.4Å; P137-N166 HydrophobicContact CB-CB 4.49Å; P137-N166 WeakPolarHBondContact CB-OD1 2.88Å |
| 138 | V | 98.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 31.5 Ų | 31.5 | 12% | 0.121 | 14% | 0.138 | C | C | . | . | trans | -60.7 | -41.6 | 172.5 | -163.6 | 0 | 0 | 0 | 0 | 111 | N166 D245 K246 Y491 | V138-N166 WeakPolarHBondContact CA-OD1 3.39Å; V138-N166 PolarHBondContact N-OD1 2.98Å; V138-D245 HydrophobicContact CG1-CB 3.74Å; V138-K246 HydrophobicContact CG1-CB 4.05Å; V138-K246 HydrophobicContact CG2-CD 4.4Å; V138-Y491 WeakPolarHBondContact CG2-O 3.31Å | ||
| 139 | G | 98.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 9% | 0.093 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 130.7 | -118.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P137 N166 T167 D245 | P137-G139 VanDerWaalsContact C-N 3.28Å; P137-G139 PolarHBondContact O-N 2.93Å; G139-N166 PolarHBondContact N-OD1 2.8Å; G139-N166 WeakPolarHBondContact O-CA 3.47Å; G139-N166 WeakPolarHBondContact O-CB 3.31Å; G139-N166 PolarHBondContact O-OD1 2.7Å; G139-T167 PolarHBondContact O-N 3.27Å; G139-D245 WeakPolarHBondContact CA-OD2 3.49Å |
| 140 | V | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 119.9 | 176.6 | 178.4 | 0 | 0 | 0 | 0 | 110 | V42 A45 R46 T167 V169 V244 D245 K246 | V42-V140 HydrophobicContact CG1-CG1 4.45Å; A45-V140 HydrophobicContact CB-CB 4.49Å; A45-V140 HydrophobicContact CB-CG1 3.86Å; A45-V140 HydrophobicContact CB-CG2 3.78Å; R46-V140 VanDerWaalsContact CD-CG2 3.48Å; R46-V140 HydrophobicContact CG-CG2 3.82Å; V140-T167 WeakPolarHBondContact CA-O 3.43Å; V140-T167 WeakPolarHBondContact CG2-OG1 3.01Å; V140-V169 HydrophobicContact CG1-CG2 4.2Å; V140-V244 HydrophobicContact CG1-CG2 4.29Å; V140-D245 PolarHBondContact N-OD2 3.21Å; V140-D245 PolarHBondContact O-N 3.3Å; V140-K246 PolarHBondContact O-N 2.78Å |
| 141 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.6 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | V143 T167 V168 V169 K246 Y491 | C141-V143 HydrophobicContact CB-CG2 4.44Å; C141-T167 PolarHBondContact N-O 3.5Å; C141-V168 HydrophobicContact CB-CG1 4.28Å; C141-V168 VanDerWaalsContact O-CA 3.32Å; C141-V168 WeakPolarHBondContact O-CA 3.48Å; C141-V169 PolarHBondContact O-N 2.98Å; C141-K246 CarbonylContact C-O 3.39Å; C141-K246 VanDerWaalsContact CA-O 3.32Å; C141-K246 WeakPolarHBondContact CA-O 3.35Å; C141-Y491 HydrophobicContact CB-CE1 4.31Å |
| 142 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 124.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110 | V169 K246 V247 A248 | G142-V169 WeakPolarHBondContact CA-O 3.41Å; G142-K246 PolarHBondContact N-O 3.36Å; G142-V247 CarbonylContact O-C 3.51Å; G142-V247 VanDerWaalsContact O-CA 3.29Å; G142-V247 WeakPolarHBondContact O-CA 3.41Å; G142-A248 PolarHBondContact O-N 2.85Å |
| 143 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 109.4 | -172.3 | 170.7 | 0 | 0 | 0 | 0 | 108 | C141 I145 K157 V168 V169 V170 K171 | C141-V143 HydrophobicContact CB-CG2 4.44Å; V143-I145 HydrophobicContact CG1-CG2 4.12Å; V143-K157 HydrophobicContact CG1-CB 3.56Å; V143-K157 HydrophobicContact CG1-CD 3.51Å; V143-K157 HydrophobicContact CG1-CG 4.16Å; V143-K157 HydrophobicContact CG2-CB 4.35Å; V143-V168 HydrophobicContact CG2-CB 4.27Å; V143-V168 HydrophobicContact CG2-CG1 4.23Å; V143-V169 PolarHBondContact N-O 2.69Å; V143-V170 HydrophobicContact CB-CB 4.46Å; V143-V170 HydrophobicContact CB-CG2 4.05Å; V143-V170 HydrophobicContact CG1-CG1 4.19Å; V143-V170 HydrophobicContact CG1-CG2 4.12Å; V143-V170 CarbonylContact O-C 3.49Å; V143-V170 VanDerWaalsContact O-CA 3.29Å; V143-V170 WeakPolarHBondContact O-CA 3.37Å; V143-K171 PolarHBondContact O-N 3.48Å |
| 144 | I | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 6% | 0.062 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.4 | -179 | -56.9 | 170.8 | 0 | 0 | 0 | 108 | K171 V238 V247 A248 F249 T250 I259 | I144-K171 HydrophobicContact CG1-CB 4.29Å; I144-K171 HydrophobicContact CG2-CD 4.22Å; I144-V238 HydrophobicContact CD1-CG1 4.47Å; I144-V238 HydrophobicContact CG1-CG1 4.45Å; I144-V247 HydrophobicContact CD1-CG1 4.35Å; I144-A248 PolarHBondContact N-O 3.02Å; I144-F249 HydrophobicContact CB-CD2 3.87Å; I144-F249 HydrophobicContact CD1-CD2 4.46Å; I144-F249 HydrophobicContact CG2-CD2 3.66Å; I144-F249 HydrophobicContact CG2-CE2 4Å; I144-T250 PolarHBondContact O-N 3.4Å; I144-I259 HydrophobicContact CD1-CD1 3.86Å |
| 145 | I | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | trans | -113.4 | 146.3 | -174.5 | 58.9 | 178 | 0 | 0 | 0 | 111.9 | V143 M153 L154 K157 V170 K171 P172 A173 | V143-I145 HydrophobicContact CG1-CG2 4.12Å; I145-M153 HydrophobicContact CB-CB 4.04Å; I145-M153 HydrophobicContact CG2-CB 3.97Å; I145-L154 HydrophobicContact CD1-CB 3.92Å; I145-L154 HydrophobicContact CD1-CD1 4.3Å; I145-K157 HydrophobicContact CG2-CD 3.6Å; I145-V170 HydrophobicContact CD1-CG1 4.37Å; I145-K171 PolarHBondContact N-O 2.75Å; I145-K171 VanDerWaalsContact N-O 3.17Å; I145-P172 HydrophobicContact CD1-CB 4.12Å; I145-P172 HydrophobicContact CG1-CB 4.21Å; I145-A173 PolarHBondContact O-N 3.32Å | ||
| 146 | P | 98.6 | Very high | 98.5 | Very high | 14 Ų | 14 | 10.4 Ų | 10.4 | 9% | 0.091 | 6% | 0.055 | C | C | . | . | trans | -82.8 | 173.1 | -179.2 | 36.9 | -39.4 | 0 | 0 | 0 | 110.8 | N148 M153 T250 | P146-N148 WeakPolarHBondContact CB-OD1 3.43Å; P146-N148 WeakPolarHBondContact CG-OD1 3.47Å; P146-M153 HydrophobicContact CG-CB 4.48Å; P146-M153 HydrophobicContact CG-CG 3.85Å; P146-T250 WeakPolarHBondContact CD-O 3.31Å; P146-T250 HydrophobicContact CG-CG2 3.82Å | ||
| 147 | W | 98.6 | Very high | 98.5 | Very high | 40 Ų | 40 | 9 Ų | 9 | 15% | 0.152 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -86.1 | -12.5 | -176.2 | 48.2 | -104.1 | 0 | 0 | 0 | 114.8 | N89 P150 A173 Q175 T176 Q306 I351 H355 F407 | N89-W147 PolarHBondContact ND2-O 3Å; W147-P150 VanDerWaalsContact O-CD 3.3Å; W147-P150 WeakPolarHBondContact O-CD 3.49Å; W147-P150 VanDerWaalsContact O-CG 3.32Å; W147-P150 WeakPolarHBondContact O-CG 3.27Å; W147-A173 HydrophobicContact CB-CB 3.63Å; W147-A173 HydrophobicContact CG-CB 4.45Å; W147-Q175 HydrophobicContact CB-CB 4.03Å; W147-T176 WeakPolarHBondContact CA-OG1 3.41Å; W147-T176 HydrophobicContact CB-CG2 4.13Å; W147-T176 WeakPolarHBondContact CB-OG1 3.21Å; W147-Q306 HydrophobicContact CH2-CB 3.86Å; W147-Q306 HydrophobicContact CH2-CG 3.86Å; W147-Q306 HydrophobicContact CZ3-CB 3.69Å; W147-Q306 VanDerWaalsContact CZ3-CD 3.42Å; W147-Q306 HydrophobicContact CZ3-CG 3.88Å; W147-I351 HydrophobicContact CB-CD1 4.48Å; W147-I351 HydrophobicContact CB-CG1 4.15Å; W147-I351 HydrophobicContact CD2-CB 3.97Å; W147-I351 HydrophobicContact CD2-CG1 3.83Å; W147-I351 HydrophobicContact CD2-CG2 3.7Å; W147-I351 HydrophobicContact CE3-CB 3.47Å; W147-I351 VanDerWaalsContact CE3-CB 3.47Å; W147-I351 HydrophobicContact CE3-CD1 4.23Å; W147-I351 HydrophobicContact CE3-CG1 3.61Å; W147-I351 HydrophobicContact CE3-CG2 3.59Å; W147-I351 HydrophobicContact CG-CG1 4.05Å; W147-I351 HydrophobicContact CG-CG2 4.48Å; W147-I351 HydrophobicContact CH2-CB 4.13Å; W147-I351 HydrophobicContact CH2-CG2 3.52Å; W147-I351 HydrophobicContact CZ2-CG2 3.65Å; W147-I351 HydrophobicContact CZ3-CB 3.57Å; W147-I351 HydrophobicContact CZ3-CG1 4.25Å; W147-I351 HydrophobicContact CZ3-CG2 3.51Å; W147-H355 AromaticContact CH2-CD2 3.76Å; W147-H355 AromaticContact CH2-NE2 3.85Å; W147-F407 AromaticContact CH2-CD1 3.57Å; W147-F407 HydrophobicContact CH2-CD1 3.57Å; W147-F407 AromaticContact CH2-CE1 3.42Å; W147-F407 HydrophobicContact CH2-CE1 3.42Å; W147-F407 VanDerWaalsContact CH2-CE1 3.42Å; W147-F407 AromaticContact CZ2-CD1 3.87Å; W147-F407 HydrophobicContact CZ2-CD1 3.87Å; W147-F407 AromaticContact CZ2-CE1 3.71Å; W147-F407 HydrophobicContact CZ2-CE1 3.71Å; W147-F407 HydrophobicContact CZ3-CE1 4.11Å |
| 148 | N | 98.3 | Very high | 98.5 | Very high | 7 Ų | 7 | 8.2 Ų | 8.2 | 4% | 0.037 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -82.8 | -30.7 | -167 | 65.9 | -40.4 | 0 | 0 | 0 | 114.3 | K91 P146 N303 Q306 F407 | K91-N148 WeakPolarHBondContact CE-O 3.24Å; K91-N148 PolarHBondContact NZ-O 3.22Å; P146-N148 WeakPolarHBondContact CB-OD1 3.43Å; P146-N148 WeakPolarHBondContact CG-OD1 3.47Å; N148-N303 PolarHBondContact O-ND2 2.77Å; N148-Q306 HydrophobicContact CB-CB 4.33Å; N148-Q306 WeakPolarHBondContact CB-O 3.44Å; N148-Q306 PolarHBondContact ND2-O 3.41Å; N148-F407 HydrophobicContact CB-CE1 4.09Å; N148-F407 HydrophobicContact CB-CZ 4.23Å; N148-F407 WeakPolarHBondContact ND2-CZ 3.27Å |
| 149 | F | 98.5 | Very high | 98.6 | Very high | 16 Ų | 16 | 7.2 Ų | 7.2 | 7% | 0.07 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -138.3 | 64.7 | 169.1 | -62.9 | -93.1 | 0 | 0 | 0 | 110.7 | D100 L151 L152 M153 F302 N303 V307 | D100-F149 VanDerWaalsContact OD1-CD1 3.31Å; D100-F149 WeakPolarHBondContact OD1-CD1 3.32Å; D100-F149 WeakPolarHBondContact OD1-CE1 3.23Å; D100-F149 VanDerWaalsContact OD2-CD1 3.31Å; D100-F149 WeakPolarHBondContact OD2-CD1 3.45Å; F149-L151 PolarHBondContact O-N 2.81Å; F149-L152 HydrophobicContact CB-CB 3.99Å; F149-L152 HydrophobicContact CB-CD2 4.4Å; F149-L152 HydrophobicContact CD1-CD2 4.35Å; F149-L152 PolarHBondContact O-N 3.3Å; F149-M153 HydrophobicContact CB-CG 4.23Å; F149-M153 WeakPolarHBondContact O-CB 3.41Å; F149-M153 VanDerWaalsContact O-CG 3.22Å; F149-M153 WeakPolarHBondContact O-CG 3.29Å; F149-M153 PolarHBondContact O-N 3.13Å; F149-F302 AromaticContact CE1-CE1 3.74Å; F149-F302 HydrophobicContact CE1-CE1 3.74Å; F149-F302 HydrophobicContact CE1-CZ 4.05Å; F149-F302 HydrophobicContact CZ-CD1 4.32Å; F149-F302 AromaticContact CZ-CE1 3.6Å; F149-F302 HydrophobicContact CZ-CE1 3.6Å; F149-F302 HydrophobicContact CZ-CZ 4.33Å; F149-N303 HydrophobicContact CE1-CB 4.4Å; F149-N303 HydrophobicContact CE2-CB 4.45Å; F149-N303 WeakPolarHBondContact CE2-ND2 3.19Å; F149-N303 HydrophobicContact CZ-CB 3.75Å; F149-N303 WeakPolarHBondContact CZ-ND2 3.5Å; F149-V307 HydrophobicContact CE2-CB 4.35Å; F149-V307 HydrophobicContact CE2-CG1 4.1Å; F149-V307 HydrophobicContact CE2-CG2 3.99Å; F149-V307 HydrophobicContact CZ-CG1 4.38Å; F149-V307 HydrophobicContact CZ-CG2 3.93Å |
| 150 | P | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.006 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -53.3 | -50.7 | -168.9 | -24.9 | 32.1 | 0 | 0 | 0 | 113.8 | E85 W147 L154 T176 | E85-P150 WeakPolarHBondContact OE1-CD 3.35Å; W147-P150 VanDerWaalsContact O-CD 3.3Å; W147-P150 WeakPolarHBondContact O-CD 3.49Å; W147-P150 VanDerWaalsContact O-CG 3.32Å; W147-P150 WeakPolarHBondContact O-CG 3.27Å; P150-L154 WeakPolarHBondContact O-CB 3.43Å; P150-L154 PolarHBondContact O-N 3.08Å; P150-T176 VanDerWaalsContact CG-CB 3.41Å; P150-T176 HydrophobicContact CG-CG2 3.92Å; P150-T176 VanDerWaalsContact CG-OG1 3.27Å; P150-T176 WeakPolarHBondContact CG-OG1 3.17Å |
| 151 | L | 98.3 | Very high | 98.6 | Very high | 3 Ų | 3 | 6.8 Ų | 6.8 | 2% | 0.016 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -68.9 | -40.7 | -177.2 | -175.4 | 61 | 0 | 0 | 0 | 112.3 | M74 L81 E85 L101 A104 F149 L154 A155 V183 | M74-L151 HydrophobicContact CE-CD1 3.79Å; M74-L151 HydrophobicContact CE-CD2 4.22Å; M74-L151 HydrophobicContact CE-CG 4.11Å; L81-L151 HydrophobicContact CB-CD2 4.32Å; L81-L151 HydrophobicContact CD2-CD1 4.36Å; L81-L151 HydrophobicContact CD2-CD2 4.35Å; E85-L151 VanDerWaalsContact OE1-CB 3.24Å; E85-L151 WeakPolarHBondContact OE1-CB 3.46Å; E85-L151 PolarHBondContact OE1-N 2.96Å; L101-L151 HydrophobicContact CB-CD2 4.43Å; L101-L151 HydrophobicContact CD1-CD2 3.52Å; A104-L151 HydrophobicContact CB-CG 4.27Å; F149-L151 PolarHBondContact O-N 2.81Å; L151-L154 WeakPolarHBondContact O-CB 3.46Å; L151-L154 PolarHBondContact O-N 3.06Å; L151-A155 PolarHBondContact O-N 3.44Å; L151-A155 VanDerWaalsContact O-N 3.1Å; L151-V183 HydrophobicContact CD1-CG2 3.52Å |
| 152 | L | 98.4 | Very high | 98.6 | Very high | 11 Ų | 11 | 6.8 Ų | 6.8 | 6% | 0.058 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -66.7 | -46.9 | 179.2 | -176.2 | 60 | 0 | 0 | 0 | 111.5 | L103 A104 F149 L154 A155 W156 | L103-L152 HydrophobicContact CB-CD1 3.5Å; L103-L152 VanDerWaalsContact CB-CD1 3.5Å; L103-L152 HydrophobicContact CD1-CD2 4.35Å; A104-L152 HydrophobicContact CB-CD1 4.28Å; F149-L152 HydrophobicContact CB-CB 3.99Å; F149-L152 HydrophobicContact CB-CD2 4.4Å; F149-L152 HydrophobicContact CD1-CD2 4.35Å; F149-L152 PolarHBondContact O-N 3.3Å; L152-L154 VanDerWaalsContact C-N 3.28Å; L152-L154 PolarHBondContact O-N 3.39Å; L152-A155 PolarHBondContact O-N 3.11Å; L152-W156 HydrophobicContact CD2-CZ2 4.27Å; L152-W156 HydrophobicContact CG-CZ2 4.4Å; L152-W156 PolarHBondContact O-N 2.95Å |
| 153 | M | 98.6 | Very high | 98.5 | Very high | 14 Ų | 14 | 6.8 Ų | 6.8 | 7% | 0.069 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -66.1 | -32.6 | 178.8 | -66.3 | -63 | 99.6 | 0 | 0 | 111.9 | I145 P146 F149 W156 K157 T250 | I145-M153 HydrophobicContact CB-CB 4.04Å; I145-M153 HydrophobicContact CG2-CB 3.97Å; P146-M153 HydrophobicContact CG-CB 4.48Å; P146-M153 HydrophobicContact CG-CG 3.85Å; F149-M153 HydrophobicContact CB-CG 4.23Å; F149-M153 WeakPolarHBondContact O-CB 3.41Å; F149-M153 VanDerWaalsContact O-CG 3.22Å; F149-M153 WeakPolarHBondContact O-CG 3.29Å; F149-M153 PolarHBondContact O-N 3.13Å; M153-W156 HydrophobicContact CE-CD2 3.73Å; M153-W156 HydrophobicContact CE-CE3 3.61Å; M153-W156 HydrophobicContact CE-CG 4.26Å; M153-W156 HydrophobicContact CE-CH2 4.22Å; M153-W156 HydrophobicContact CE-CZ2 4.32Å; M153-W156 HydrophobicContact CE-CZ3 3.87Å; M153-W156 HydrophobicContact SD-CE3 4.48Å; M153-K157 WeakPolarHBondContact O-CG 3.29Å; M153-K157 PolarHBondContact O-N 2.87Å; M153-T250 HydrophobicContact SD-CG2 4.06Å |
| 154 | L | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 7.1 Ų | 7.1 | 2% | 0.021 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59.1 | -54.4 | 169.5 | 179 | 66.2 | 0 | 0 | 0 | 110.6 | I145 P150 L151 L152 W156 K157 I158 V170 A180 V183 | I145-L154 HydrophobicContact CD1-CB 3.92Å; I145-L154 HydrophobicContact CD1-CD1 4.3Å; P150-L154 WeakPolarHBondContact O-CB 3.43Å; P150-L154 PolarHBondContact O-N 3.08Å; L151-L154 WeakPolarHBondContact O-CB 3.46Å; L151-L154 PolarHBondContact O-N 3.06Å; L152-L154 VanDerWaalsContact C-N 3.28Å; L152-L154 PolarHBondContact O-N 3.39Å; L154-W156 VanDerWaalsContact C-N 3.35Å; L154-W156 PolarHBondContact O-N 3.43Å; L154-K157 PolarHBondContact O-N 2.96Å; L154-K157 VanDerWaalsContact O-N 3.16Å; L154-I158 HydrophobicContact CD1-CD1 4.35Å; L154-I158 HydrophobicContact CD1-CG2 3.74Å; L154-I158 HydrophobicContact CG-CD1 4.08Å; L154-I158 HydrophobicContact CG-CG2 4.41Å; L154-I158 WeakPolarHBondContact O-CG1 3.42Å; L154-I158 PolarHBondContact O-N 3.3Å; L154-V170 HydrophobicContact CD1-CG1 3.7Å; L154-V170 HydrophobicContact CD1-CG2 4.16Å; L154-A180 HydrophobicContact CD2-CB 4.1Å; L154-V183 HydrophobicContact CD2-CB 3.82Å; L154-V183 HydrophobicContact CD2-CG1 3.78Å; L154-V183 HydrophobicContact CD2-CG2 4.02Å |
| 155 | A | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 6.8 Ų | 6.8 | 2% | 0.017 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -59.5 | -42.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A104 C107 L108 L151 L152 K157 G159 | A104-A155 HydrophobicContact CB-CB 3.75Å; C107-A155 HydrophobicContact CB-CB 4.49Å; L108-A155 HydrophobicContact CD2-CB 4.42Å; L108-A155 HydrophobicContact CG-CB 4.24Å; L151-A155 PolarHBondContact O-N 3.44Å; L151-A155 VanDerWaalsContact O-N 3.1Å; L152-A155 PolarHBondContact O-N 3.11Å; A155-K157 PolarHBondContact O-N 3.46Å; A155-G159 PolarHBondContact O-N 2.87Å |
| 156 | W | 98.5 | Very high | 98.5 | Very high | 11 Ų | 11 | 6.6 Ų | 6.6 | 4% | 0.042 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61 | -28.3 | 178.3 | -77.2 | 28.1 | 0 | 0 | 0 | 113.4 | L152 M153 L154 P160 F465 F471 E482 L483 | L152-W156 HydrophobicContact CD2-CZ2 4.27Å; L152-W156 HydrophobicContact CG-CZ2 4.4Å; L152-W156 PolarHBondContact O-N 2.95Å; M153-W156 HydrophobicContact CE-CD2 3.73Å; M153-W156 HydrophobicContact CE-CE3 3.61Å; M153-W156 HydrophobicContact CE-CG 4.26Å; M153-W156 HydrophobicContact CE-CH2 4.22Å; M153-W156 HydrophobicContact CE-CZ2 4.32Å; M153-W156 HydrophobicContact CE-CZ3 3.87Å; M153-W156 HydrophobicContact SD-CE3 4.48Å; L154-W156 VanDerWaalsContact C-N 3.35Å; L154-W156 PolarHBondContact O-N 3.43Å; W156-P160 WeakPolarHBondContact O-CD 3.29Å; W156-P160 WeakPolarHBondContact O-CG 3.37Å; W156-F465 AromaticContact CH2-CD1 3.62Å; W156-F465 HydrophobicContact CH2-CD1 3.62Å; W156-F465 AromaticContact CH2-CE1 3.8Å; W156-F465 HydrophobicContact CH2-CE1 3.8Å; W156-F465 HydrophobicContact CH2-CG 4.47Å; W156-F465 HydrophobicContact CZ2-CD1 4.05Å; W156-F471 HydrophobicContact CH2-CD1 4.13Å; W156-F471 HydrophobicContact CH2-CG 4.28Å; W156-F471 HydrophobicContact CZ3-CB 4.3Å; W156-F471 AromaticContact CZ3-CD1 3.55Å; W156-F471 HydrophobicContact CZ3-CD1 3.55Å; W156-F471 HydrophobicContact CZ3-CE1 4.12Å; W156-F471 HydrophobicContact CZ3-CG 4.05Å; W156-E482 HydrophobicContact CE3-CB 4.19Å; W156-L483 HydrophobicContact CD2-CD1 4.13Å; W156-L483 HydrophobicContact CD2-CD2 3.77Å; W156-L483 HydrophobicContact CD2-CG 3.96Å; W156-L483 HydrophobicContact CE3-CD1 4.31Å; W156-L483 HydrophobicContact CE3-CD2 4.4Å; W156-L483 HydrophobicContact CE3-CG 4.12Å; W156-L483 HydrophobicContact CG-CD2 3.8Å; W156-L483 HydrophobicContact CG-CG 4.48Å; W156-L483 HydrophobicContact CH2-CD1 3.79Å; W156-L483 HydrophobicContact CH2-CG 4.47Å; W156-L483 HydrophobicContact CZ2-CD1 3.57Å; W156-L483 HydrophobicContact CZ2-CG 4.32Å; W156-L483 HydrophobicContact CZ3-CD1 4.16Å; W156-L483 HydrophobicContact CZ3-CG 4.38Å |
| 157 | K | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -95.2 | -45.9 | -179.9 | -64.2 | -177.8 | -166.9 | -64.2 | 0 | 112.6 | V143 I145 M153 L154 A155 A161 A248 T250 E482 Y491 | V143-K157 HydrophobicContact CG1-CB 3.56Å; V143-K157 HydrophobicContact CG1-CD 3.51Å; V143-K157 HydrophobicContact CG1-CG 4.16Å; V143-K157 HydrophobicContact CG2-CB 4.35Å; I145-K157 HydrophobicContact CG2-CD 3.6Å; M153-K157 WeakPolarHBondContact O-CG 3.29Å; M153-K157 PolarHBondContact O-N 2.87Å; L154-K157 PolarHBondContact O-N 2.96Å; L154-K157 VanDerWaalsContact O-N 3.16Å; A155-K157 PolarHBondContact O-N 3.46Å; K157-A161 VanDerWaalsContact O-CB 3.25Å; K157-A161 WeakPolarHBondContact O-CB 3.46Å; K157-A161 PolarHBondContact O-N 2.96Å; K157-A248 HydrophobicContact CD-CB 4.24Å; K157-T250 VanDerWaalsContact CE-OG1 3.28Å; K157-T250 WeakPolarHBondContact CE-OG1 3.33Å; K157-T250 PolarHBondContact NZ-OG1 3.18Å; K157-E482 IonicContact NZ-OE1 2.79Å; K157-E482 PolarHBondContact NZ-OE1 2.72Å; K157-E482 IonicContact NZ-OE2 3.49Å; K157-Y491 PolarHBondContact O-OH 3.1Å |
| 158 | I | 98.5 | Very high | 98.5 | Very high | 3 Ų | 3 | 4 Ų | 4 | 2% | 0.015 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -74.4 | -33.1 | -177.5 | 73.8 | 176.2 | 0 | 0 | 0 | 112.2 | L70 L108 L154 A161 L162 V168 V170 | L70-I158 HydrophobicContact CD2-CD1 4.24Å; L108-I158 HydrophobicContact CD2-CG1 4.19Å; L154-I158 HydrophobicContact CD1-CD1 4.35Å; L154-I158 HydrophobicContact CD1-CG2 3.74Å; L154-I158 HydrophobicContact CG-CD1 4.08Å; L154-I158 HydrophobicContact CG-CG2 4.41Å; L154-I158 WeakPolarHBondContact O-CG1 3.42Å; L154-I158 PolarHBondContact O-N 3.3Å; I158-A161 PolarHBondContact O-N 3.46Å; I158-L162 HydrophobicContact CB-CD1 4.05Å; I158-L162 HydrophobicContact CG1-CD1 4.37Å; I158-L162 VanDerWaalsContact O-CB 3.25Å; I158-L162 WeakPolarHBondContact O-CB 3.25Å; I158-L162 WeakPolarHBondContact O-CG 3.49Å; I158-L162 PolarHBondContact O-N 3.47Å; I158-V168 HydrophobicContact CG2-CG2 4.3Å; I158-V170 HydrophobicContact CG2-CG2 4.04Å |
| 159 | G | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -52.6 | -63.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A155 A161 A163 | A155-G159 PolarHBondContact O-N 2.87Å; G159-A161 PolarHBondContact O-N 3.33Å; G159-A163 VanDerWaalsContact O-CB 3.31Å; G159-A163 WeakPolarHBondContact O-CB 3.12Å; G159-A163 PolarHBondContact O-N 2.95Å |
| 160 | P | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 3 Ų | 3 | 1% | 0.006 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 178.8 | 23.5 | -29.3 | 0 | 0 | 0 | 112.6 | Y111 W156 L162 A163 C164 L488 Y491 | Y111-P160 HydrophobicContact CD1-CB 3.92Å; Y111-P160 HydrophobicContact CD2-CB 4.32Å; Y111-P160 HydrophobicContact CD2-CG 4.3Å; Y111-P160 HydrophobicContact CE1-CB 3.63Å; Y111-P160 HydrophobicContact CE1-CG 4.36Å; Y111-P160 HydrophobicContact CE2-CB 4.01Å; Y111-P160 VanDerWaalsContact CE2-CD 3.49Å; Y111-P160 HydrophobicContact CE2-CG 3.85Å; Y111-P160 HydrophobicContact CG-CB 4.24Å; W156-P160 WeakPolarHBondContact O-CD 3.29Å; W156-P160 WeakPolarHBondContact O-CG 3.37Å; P160-L162 PolarHBondContact O-N 2.99Å; P160-A163 PolarHBondContact O-N 3.1Å; P160-C164 WeakPolarHBondContact O-CB 3.48Å; P160-C164 PolarHBondContact O-N 3.01Å; P160-C164 PolarHBondContact O-SG 2.62Å; P160-L488 HydrophobicContact CB-CD2 4.19Å; P160-Y491 HydrophobicContact CB-CD2 3.68Å; P160-Y491 HydrophobicContact CB-CE2 3.99Å; P160-Y491 HydrophobicContact CB-CG 4.43Å; P160-Y491 HydrophobicContact CG-CD2 3.85Å; P160-Y491 HydrophobicContact CG-CE2 3.59Å |
| 161 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -58.9 | -50.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K157 I158 G159 C164 G165 N166 V168 Y491 | K157-A161 VanDerWaalsContact O-CB 3.25Å; K157-A161 WeakPolarHBondContact O-CB 3.46Å; K157-A161 PolarHBondContact O-N 2.96Å; I158-A161 PolarHBondContact O-N 3.46Å; G159-A161 PolarHBondContact O-N 3.33Å; A161-C164 PolarHBondContact O-N 3.31Å; A161-G165 PolarHBondContact O-N 2.92Å; A161-N166 HydrophobicContact CB-CB 4.34Å; A161-N166 VanDerWaalsContact O-CB 3.25Å; A161-N166 WeakPolarHBondContact O-CB 3.4Å; A161-N166 PolarHBondContact O-N 2.72Å; A161-N166 PolarHBondContact O-ND2 3.06Å; A161-V168 HydrophobicContact CB-CG1 3.62Å; A161-Y491 HydrophobicContact CB-CD1 3.62Å; A161-Y491 HydrophobicContact CB-CE1 3.55Å; A161-Y491 HydrophobicContact CB-CG 4.35Å |
| 162 | L | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -71.5 | -38.9 | -178.4 | -64.6 | 171.8 | 0 | 0 | 0 | 111.7 | W55 L67 I158 P160 C164 G165 F219 V223 V224 | W55-L162 HydrophobicContact CZ2-CB 4.19Å; W55-L162 HydrophobicContact CZ2-CD2 3.92Å; W55-L162 WeakPolarHBondContact CZ2-O 3.47Å; L67-L162 HydrophobicContact CD1-CB 4.46Å; L67-L162 HydrophobicContact CD2-CB 4.03Å; L67-L162 HydrophobicContact CD2-CD1 4.02Å; L67-L162 HydrophobicContact CG-CB 4.48Å; I158-L162 HydrophobicContact CB-CD1 4.05Å; I158-L162 HydrophobicContact CG1-CD1 4.37Å; I158-L162 VanDerWaalsContact O-CB 3.25Å; I158-L162 WeakPolarHBondContact O-CB 3.25Å; I158-L162 WeakPolarHBondContact O-CG 3.49Å; I158-L162 PolarHBondContact O-N 3.47Å; P160-L162 PolarHBondContact O-N 2.99Å; L162-C164 VanDerWaalsContact C-N 3.28Å; L162-C164 PolarHBondContact O-N 3.3Å; L162-G165 PolarHBondContact O-N 3.39Å; L162-F219 HydrophobicContact CD1-CE1 3.89Å; L162-F219 HydrophobicContact CD1-CZ 4.35Å; L162-F219 HydrophobicContact CD2-CE1 4.37Å; L162-V223 HydrophobicContact CD2-CG1 3.5Å; L162-V223 VanDerWaalsContact CD2-CG1 3.5Å; L162-V224 HydrophobicContact CD1-CG2 4.05Å; L162-V224 HydrophobicContact CD2-CG2 3.92Å |
| 163 | A | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -57.1 | -43.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R63 L67 Y111 A115 G159 P160 G165 | R63-A163 PolarHBondContact NE-O 3.34Å; R63-A163 PolarHBondContact NH2-O 2.98Å; L67-A163 HydrophobicContact CD1-CB 3.85Å; Y111-A163 WeakPolarHBondContact O-CB 3.48Å; A115-A163 HydrophobicContact CB-CB 4.21Å; G159-A163 VanDerWaalsContact O-CB 3.31Å; G159-A163 WeakPolarHBondContact O-CB 3.12Å; G159-A163 PolarHBondContact O-N 2.95Å; P160-A163 PolarHBondContact O-N 3.1Å; A163-G165 PolarHBondContact O-N 3.5Å |
| 164 | C | 98.3 | Very high | 98.6 | Very high | 7 Ų | 7 | 3.9 Ų | 3.9 | 5% | 0.047 | 2% | 0.021 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -8.5 | 175.9 | -68.3 | 0 | 0 | 0 | 0 | 114.4 | I118 P137 P160 A161 L162 N166 Y491 T492 | I118-C164 HydrophobicContact CD1-CB 4.31Å; I118-C164 VanDerWaalsContact CD1-SG 3.56Å; P137-C164 WeakPolarHBondContact CB-O 3.34Å; P160-C164 WeakPolarHBondContact O-CB 3.48Å; P160-C164 PolarHBondContact O-N 3.01Å; P160-C164 PolarHBondContact O-SG 2.62Å; A161-C164 PolarHBondContact O-N 3.31Å; L162-C164 VanDerWaalsContact C-N 3.28Å; L162-C164 PolarHBondContact O-N 3.3Å; C164-N166 VanDerWaalsContact CB-ND2 3.32Å; C164-N166 WeakPolarHBondContact CB-ND2 3.49Å; C164-Y491 WeakPolarHBondContact CB-O 3.16Å; C164-T492 HydrophobicContact CB-CG2 4.04Å; C164-T492 VanDerWaalsContact SG-CG2 3.56Å |
| 165 | G | 97.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 5.8 Ų | 5.8 | 4% | 0.041 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 22 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | W55 P137 A161 L162 A163 | W55-G165 PolarHBondContact NE1-O 2.87Å; P137-G165 VanDerWaalsContact CB-C 3.49Å; P137-G165 WeakPolarHBondContact CB-O 3.4Å; A161-G165 PolarHBondContact O-N 2.92Å; L162-G165 PolarHBondContact O-N 3.39Å; A163-G165 PolarHBondContact O-N 3.5Å |
| 166 | N | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.005 | 3% | 0.029 | C | C | . | . | trans | -78.6 | 163.5 | 172.1 | -59.3 | -81.9 | 0 | 0 | 0 | 110.7 | W55 P137 V138 G139 A161 C164 Y491 | W55-N166 PolarHBondContact NE1-O 3.47Å; P137-N166 HydrophobicContact CB-CB 4.49Å; P137-N166 WeakPolarHBondContact CB-OD1 2.88Å; V138-N166 WeakPolarHBondContact CA-OD1 3.39Å; V138-N166 PolarHBondContact N-OD1 2.98Å; G139-N166 PolarHBondContact N-OD1 2.8Å; G139-N166 WeakPolarHBondContact O-CA 3.47Å; G139-N166 WeakPolarHBondContact O-CB 3.31Å; G139-N166 PolarHBondContact O-OD1 2.7Å; A161-N166 HydrophobicContact CB-CB 4.34Å; A161-N166 VanDerWaalsContact O-CB 3.25Å; A161-N166 WeakPolarHBondContact O-CB 3.4Å; A161-N166 PolarHBondContact O-N 2.72Å; A161-N166 PolarHBondContact O-ND2 3.06Å; C164-N166 VanDerWaalsContact CB-ND2 3.32Å; C164-N166 WeakPolarHBondContact CB-ND2 3.49Å; N166-Y491 PolarHBondContact ND2-O 3.29Å | ||
| 167 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.027 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 152.4 | 164.1 | 55.1 | 0 | 0 | 0 | 0 | 109 | A45 A48 G139 V140 C141 V223 | A45-T167 WeakPolarHBondContact O-CB 3.38Å; A45-T167 WeakPolarHBondContact O-CG2 3.13Å; A45-T167 PolarHBondContact O-OG1 3.3Å; A48-T167 HydrophobicContact CB-CG2 4.06Å; G139-T167 PolarHBondContact O-N 3.27Å; V140-T167 WeakPolarHBondContact CA-O 3.43Å; V140-T167 WeakPolarHBondContact CG2-OG1 3.01Å; C141-T167 PolarHBondContact N-O 3.5Å; T167-V223 CarbonylContact C-O 3.49Å; T167-V223 WeakPolarHBondContact CA-O 3.22Å; T167-V223 HydrophobicContact CG2-CB 4.39Å; T167-V223 HydrophobicContact CG2-CG1 4.47Å; T167-V223 HydrophobicContact CG2-CG2 4.1Å |
| 168 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.4 | -171.5 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | C141 V143 I158 A161 V170 V223 V224 N225 | C141-V168 HydrophobicContact CB-CG1 4.28Å; C141-V168 VanDerWaalsContact O-CA 3.32Å; C141-V168 WeakPolarHBondContact O-CA 3.48Å; V143-V168 HydrophobicContact CG2-CB 4.27Å; V143-V168 HydrophobicContact CG2-CG1 4.23Å; I158-V168 HydrophobicContact CG2-CG2 4.3Å; A161-V168 HydrophobicContact CB-CG1 3.62Å; V168-V170 HydrophobicContact CB-CG2 4.35Å; V168-V170 HydrophobicContact CG2-CG2 4.01Å; V168-V223 PolarHBondContact N-O 3.03Å; V168-V224 HydrophobicContact CG2-CB 4.03Å; V168-V224 HydrophobicContact CG2-CG1 3.83Å; V168-V224 HydrophobicContact CG2-CG2 3.83Å; V168-N225 PolarHBondContact O-N 3.16Å; V168-N225 PolarHBondContact O-ND2 3.01Å; V168-N225 VanDerWaalsContact O-ND2 3.11Å |
| 169 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 106.1 | 166.5 | 179.9 | 0 | 0 | 0 | 0 | 107 | A41 V42 A45 V140 C141 G142 V143 N225 V227 V238 | A41-V169 HydrophobicContact CB-CG1 3.94Å; A41-V169 HydrophobicContact CB-CG2 4.23Å; V42-V169 HydrophobicContact CG2-CG2 3.98Å; A45-V169 HydrophobicContact CB-CG2 3.96Å; V140-V169 HydrophobicContact CG1-CG2 4.2Å; C141-V169 PolarHBondContact O-N 2.98Å; G142-V169 WeakPolarHBondContact CA-O 3.41Å; V143-V169 PolarHBondContact N-O 2.69Å; V169-N225 CarbonylContact C-O 3.51Å; V169-N225 WeakPolarHBondContact CA-O 3.37Å; V169-N225 HydrophobicContact CG2-CB 4.42Å; V169-V227 HydrophobicContact CG1-CG2 3.63Å; V169-V238 HydrophobicContact CG1-CG2 4.3Å |
| 170 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.2 | -173.3 | -176.8 | 0 | 0 | 0 | 0 | 110 | V143 I145 L154 I158 V168 N225 I226 V227 | V143-V170 HydrophobicContact CB-CB 4.46Å; V143-V170 HydrophobicContact CB-CG2 4.05Å; V143-V170 HydrophobicContact CG1-CG1 4.19Å; V143-V170 HydrophobicContact CG1-CG2 4.12Å; V143-V170 CarbonylContact O-C 3.49Å; V143-V170 VanDerWaalsContact O-CA 3.29Å; V143-V170 WeakPolarHBondContact O-CA 3.37Å; I145-V170 HydrophobicContact CD1-CG1 4.37Å; L154-V170 HydrophobicContact CD1-CG1 3.7Å; L154-V170 HydrophobicContact CD1-CG2 4.16Å; I158-V170 HydrophobicContact CG2-CG2 4.04Å; V168-V170 HydrophobicContact CB-CG2 4.35Å; V168-V170 HydrophobicContact CG2-CG2 4.01Å; V170-N225 PolarHBondContact N-O 3.48Å; V170-I226 HydrophobicContact CB-CG1 4.35Å; V170-I226 CarbonylContact O-C 3.49Å; V170-I226 WeakPolarHBondContact O-CA 3.19Å; V170-V227 WeakPolarHBondContact O-CG2 3.46Å; V170-V227 PolarHBondContact O-N 3.21Å |
| 171 | K | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 6.9 Ų | 6.9 | 2% | 0.017 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 102.3 | 167.6 | -171 | -87.7 | 165.6 | -157.4 | 0 | 108.1 | V143 I144 I145 E174 V227 G229 T234 | V143-K171 PolarHBondContact O-N 3.48Å; I144-K171 HydrophobicContact CG1-CB 4.29Å; I144-K171 HydrophobicContact CG2-CD 4.22Å; I145-K171 PolarHBondContact N-O 2.75Å; I145-K171 VanDerWaalsContact N-O 3.17Å; K171-E174 IonicContact NZ-OE2 3.13Å; K171-E174 PolarHBondContact NZ-OE2 3.39Å; K171-V227 HydrophobicContact CB-CG2 4.49Å; K171-G229 WeakPolarHBondContact CE-O 3.38Å; K171-G229 PolarHBondContact NZ-O 2.8Å; K171-T234 HydrophobicContact CG-CG2 3.86Å |
| 172 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | -70 | 157 | 169.7 | 31.3 | -34.9 | 0 | 0 | 0 | 111.4 | I145 P177 A180 I226 P228 | I145-P172 HydrophobicContact CD1-CB 4.12Å; I145-P172 HydrophobicContact CG1-CB 4.21Å; P172-P177 HydrophobicContact CG-CB 4.22Å; P172-A180 HydrophobicContact CB-CB 3.88Å; P172-A180 HydrophobicContact CG-CB 4.19Å; P172-I226 HydrophobicContact CG-CG2 4.14Å; P172-P228 HydrophobicContact CG-CB 3.98Å | ||
| 173 | A | 98.5 | Very high | 98.5 | Very high | 5 Ų | 5 | 8.5 Ų | 8.5 | 4% | 0.041 | 4% | 0.043 | C | C | . | . | trans | -59.7 | 139.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I145 W147 Q175 T176 | I145-A173 PolarHBondContact O-N 3.32Å; W147-A173 HydrophobicContact CB-CB 3.63Å; W147-A173 HydrophobicContact CG-CB 4.45Å; A173-Q175 PolarHBondContact O-N 3.49Å; A173-T176 CarbonylContact O-C 3.51Å; A173-T176 PolarHBondContact O-N 2.9Å | ||
| 174 | E | 98.1 | Very high | 98.5 | Very high | 39 Ų | 39 | 8.5 Ų | 8.5 | 18% | 0.182 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.4 | -179.6 | 54.1 | -90.9 | -140.2 | 0 | 0 | 112.4 | F16 K171 T176 Y230 G231 | F16-E174 HydrophobicContact CE2-CB 4.18Å; F16-E174 WeakPolarHBondContact CE2-O 3.4Å; K171-E174 IonicContact NZ-OE2 3.13Å; K171-E174 PolarHBondContact NZ-OE2 3.39Å; E174-T176 VanDerWaalsContact C-N 3.32Å; E174-Y230 HydrophobicContact CB-CD1 4.1Å; E174-Y230 HydrophobicContact CB-CE1 4.27Å; E174-Y230 HydrophobicContact CG-CD1 3.76Å; E174-Y230 HydrophobicContact CG-CE1 4.02Å; E174-G231 PolarHBondContact OE1-N 3.15Å |
| 175 | Q | 98.3 | Very high | 98.4 | Very high | 44 Ų | 44 | 9.9 Ų | 9.9 | 21% | 0.206 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -26.4 | 174.8 | -61.1 | 82.8 | -4.1 | 0 | 0 | 112.9 | W147 A173 I351 D352 | W147-Q175 HydrophobicContact CB-CB 4.03Å; A173-Q175 PolarHBondContact O-N 3.49Å; Q175-I351 HydrophobicContact CB-CD1 4.08Å; Q175-I351 HydrophobicContact CB-CG1 3.75Å; Q175-I351 HydrophobicContact CG-CG1 4.01Å; Q175-D352 PolarHBondContact NE2-OD2 3.28Å |
| 176 | T | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -141.8 | 57.1 | -169.3 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | D88 N89 W147 P150 A173 E174 I351 | D88-T176 HydrophobicContact CB-CG2 4.37Å; D88-T176 WeakPolarHBondContact OD2-CA 3.49Å; N89-T176 HydrophobicContact CB-CG2 4.09Å; W147-T176 WeakPolarHBondContact CA-OG1 3.41Å; W147-T176 HydrophobicContact CB-CG2 4.13Å; W147-T176 WeakPolarHBondContact CB-OG1 3.21Å; P150-T176 VanDerWaalsContact CG-CB 3.41Å; P150-T176 HydrophobicContact CG-CG2 3.92Å; P150-T176 VanDerWaalsContact CG-OG1 3.27Å; P150-T176 WeakPolarHBondContact CG-OG1 3.17Å; A173-T176 CarbonylContact O-C 3.51Å; A173-T176 PolarHBondContact O-N 2.9Å; E174-T176 VanDerWaalsContact C-N 3.32Å; T176-I351 HydrophobicContact CG2-CD1 3.74Å | ||
| 177 | P | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -78.6 | -16.9 | -176.4 | 33.6 | -37 | 0 | 0 | 0 | 114 | F16 V30 P172 A180 L181 P228 | F16-P177 HydrophobicContact CE2-CG 4.22Å; F16-P177 HydrophobicContact CZ-CB 4.46Å; F16-P177 HydrophobicContact CZ-CG 4.2Å; V30-P177 HydrophobicContact CB-CG 4.42Å; V30-P177 HydrophobicContact CG1-CB 4.42Å; V30-P177 HydrophobicContact CG1-CG 4.4Å; V30-P177 HydrophobicContact CG2-CG 3.87Å; P172-P177 HydrophobicContact CG-CB 4.22Å; P177-A180 PolarHBondContact O-N 2.93Å; P177-L181 HydrophobicContact CB-CD1 4.25Å; P177-L181 WeakPolarHBondContact O-CG 3.25Å; P177-L181 PolarHBondContact O-N 3.11Å; P177-L181 VanDerWaalsContact O-N 3.16Å; P177-P228 HydrophobicContact CB-CB 3.99Å | ||
| 178 | L | 98.7 | Very high | 98 | Very high | 18 Ų | 18 | 10.5 Ų | 10.5 | 9% | 0.094 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -70.5 | -44.3 | -156.7 | -61.3 | -177.6 | 0 | 0 | 0 | 113.7 | T18 I27 V30 L84 D88 A180 L181 H182 | T18-L178 HydrophobicContact CG2-CD1 4.15Å; T18-L178 HydrophobicContact CG2-CD2 4.01Å; T18-L178 HydrophobicContact CG2-CG 4.21Å; I27-L178 HydrophobicContact CD1-CD1 4.47Å; I27-L178 HydrophobicContact CG2-CD1 4.05Å; V30-L178 HydrophobicContact CG2-CD2 4.08Å; L84-L178 HydrophobicContact CD1-CB 3.72Å; L84-L178 HydrophobicContact CD1-CD1 3.64Å; L84-L178 HydrophobicContact CD1-CG 4.31Å; L84-L178 HydrophobicContact CD2-CB 3.85Å; L84-L178 HydrophobicContact CG-CB 3.66Å; L84-L178 HydrophobicContact CG-CD1 4.43Å; D88-L178 HydrophobicContact CB-CD1 4.14Å; D88-L178 HydrophobicContact CB-CG 4.45Å; D88-L178 WeakPolarHBondContact OD1-CD1 3.49Å; D88-L178 VanDerWaalsContact OD2-CB 3.25Å; D88-L178 WeakPolarHBondContact OD2-CB 3.28Å; D88-L178 WeakPolarHBondContact OD2-CG 3.36Å; D88-L178 PolarHBondContact OD2-N 3.24Å; L178-A180 PolarHBondContact O-N 2.68Å; L178-L181 PolarHBondContact O-N 2.97Å; L178-H182 PolarHBondContact O-N 3.29Å |
| 179 | T | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.5 | -35.4 | -180 | 50 | 0 | 0 | 0 | 0 | 112.5 | L81 L84 E85 L181 H182 V183 | L81-T179 HydrophobicContact CD2-CG2 4.46Å; L84-T179 HydrophobicContact CB-CG2 3.9Å; L84-T179 HydrophobicContact CD2-CG2 4.08Å; L84-T179 HydrophobicContact CG-CG2 3.94Å; E85-T179 HydrophobicContact CB-CG2 3.9Å; E85-T179 VanDerWaalsContact OE2-CB 3.28Å; E85-T179 WeakPolarHBondContact OE2-CB 3.29Å; E85-T179 WeakPolarHBondContact OE2-CG2 3.39Å; E85-T179 PolarHBondContact OE2-OG1 2.64Å; T179-L181 VanDerWaalsContact C-N 3.34Å; T179-L181 PolarHBondContact O-N 2.64Å; T179-H182 PolarHBondContact O-N 3.05Å; T179-V183 WeakPolarHBondContact O-CG2 3.32Å; T179-V183 PolarHBondContact O-N 3Å |
| 180 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L154 P172 P177 L178 V183 G184 I226 | L154-A180 HydrophobicContact CD2-CB 4.1Å; P172-A180 HydrophobicContact CB-CB 3.88Å; P172-A180 HydrophobicContact CG-CB 4.19Å; P177-A180 PolarHBondContact O-N 2.93Å; L178-A180 PolarHBondContact O-N 2.68Å; A180-V183 PolarHBondContact O-N 2.97Å; A180-G184 PolarHBondContact O-N 3.33Å; A180-I226 HydrophobicContact CB-CG2 4.39Å; A180-I226 WeakPolarHBondContact O-CD1 3.43Å |
| 181 | L | 98.5 | Very high | 96.4 | Very high | 22 Ų | 22 | 14.1 Ų | 14.1 | 12% | 0.115 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 175.5 | -64.6 | 168.8 | 0 | 0 | 0 | 111.4 | W7 V30 P177 L178 T179 V183 G184 S185 I226 P228 | W7-L181 HydrophobicContact CH2-CB 4.17Å; W7-L181 HydrophobicContact CH2-CD2 4.49Å; W7-L181 WeakPolarHBondContact CH2-O 3.49Å; W7-L181 HydrophobicContact CZ3-CB 4.41Å; W7-L181 HydrophobicContact CZ3-CD2 4.01Å; V30-L181 HydrophobicContact CG1-CD1 3.81Å; V30-L181 HydrophobicContact CG2-CD1 4.42Å; P177-L181 HydrophobicContact CB-CD1 4.25Å; P177-L181 WeakPolarHBondContact O-CG 3.25Å; P177-L181 PolarHBondContact O-N 3.11Å; P177-L181 VanDerWaalsContact O-N 3.16Å; L178-L181 PolarHBondContact O-N 2.97Å; T179-L181 VanDerWaalsContact C-N 3.34Å; T179-L181 PolarHBondContact O-N 2.64Å; L181-V183 VanDerWaalsContact C-N 3.32Å; L181-V183 PolarHBondContact O-N 2.86Å; L181-G184 WeakPolarHBondContact O-CA 3.31Å; L181-G184 PolarHBondContact O-N 3.34Å; L181-S185 PolarHBondContact O-N 2.89Å; L181-I226 HydrophobicContact CD2-CG2 4.13Å; L181-P228 HydrophobicContact CD2-CG 4.09Å |
| 182 | H | 98.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 20 Ų | 20 | 15% | 0.148 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 175.3 | -166.4 | 62.6 | 0 | 0 | 0 | 111.9 | D77 Y80 L81 L84 L178 T179 G184 S185 L186 | D77-H182 IonicContact OD2-CD2 2.97Å; D77-H182 IonicContact OD2-CE1 2.66Å; D77-H182 IonicContact OD2-NE2 3.33Å; D77-H182 PolarHBondContact OD2-NE2 3.05Å; Y80-H182 AromaticContact CD1-CD2 3.76Å; Y80-H182 AromaticContact CD1-CE1 3.67Å; Y80-H182 AromaticContact CD1-CG 3.99Å; Y80-H182 AromaticContact CD1-ND1 3.96Å; Y80-H182 AromaticContact CD1-NE2 3.54Å; Y80-H182 HydrophobicContact CE1-CB 4.49Å; Y80-H182 AromaticContact CE1-CD2 3.95Å; Y80-H182 AromaticContact CE1-CE1 3.5Å; Y80-H182 VanDerWaalsContact CE1-CE1 3.5Å; Y80-H182 WeakPolarHBondContact CE1-CE1 3.22Å; Y80-H182 AromaticContact CE1-CG 3.69Å; Y80-H182 AromaticContact CE1-ND1 3.41Å; Y80-H182 WeakPolarHBondContact CE1-ND1 3.42Å; Y80-H182 AromaticContact CE1-NE2 3.82Å; L81-H182 HydrophobicContact CD2-CB 4.22Å; L84-H182 HydrophobicContact CD2-CB 4.06Å; L178-H182 PolarHBondContact O-N 3.29Å; T179-H182 PolarHBondContact O-N 3.05Å; H182-G184 VanDerWaalsContact C-N 3.25Å; H182-G184 PolarHBondContact O-N 3Å; H182-S185 WeakPolarHBondContact O-CA 3.06Å; H182-S185 VanDerWaalsContact O-CB 3.31Å; H182-S185 WeakPolarHBondContact O-CB 3.17Å; H182-S185 PolarHBondContact O-N 3.22Å; H182-S185 PolarHBondContact O-OG 2.82Å; H182-L186 PolarHBondContact O-N 3.13Å; H182-L186 VanDerWaalsContact O-N 3.11Å |
| 183 | V | 98.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -35.1 | 173.5 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | L70 M74 L81 L151 L154 T179 A180 L181 S185 L186 I187 | L70-V183 HydrophobicContact CD1-CG1 4.4Å; M74-V183 HydrophobicContact SD-CG2 4.36Å; L81-V183 HydrophobicContact CD2-CG2 4.3Å; L151-V183 HydrophobicContact CD1-CG2 3.52Å; L154-V183 HydrophobicContact CD2-CB 3.82Å; L154-V183 HydrophobicContact CD2-CG1 3.78Å; L154-V183 HydrophobicContact CD2-CG2 4.02Å; T179-V183 WeakPolarHBondContact O-CG2 3.32Å; T179-V183 PolarHBondContact O-N 3Å; A180-V183 PolarHBondContact O-N 2.97Å; L181-V183 VanDerWaalsContact C-N 3.32Å; L181-V183 PolarHBondContact O-N 2.86Å; V183-S185 VanDerWaalsContact C-N 3.3Å; V183-S185 PolarHBondContact O-N 2.71Å; V183-L186 PolarHBondContact O-N 2.86Å; V183-L186 VanDerWaalsContact O-N 3.14Å; V183-I187 HydrophobicContact CG1-CD1 3.96Å; V183-I187 HydrophobicContact CG1-CG1 4.4Å; V183-I187 WeakPolarHBondContact O-CG1 3.27Å; V183-I187 PolarHBondContact O-N 2.99Å |
| 184 | G | 97.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.7 | -42.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F2 A180 L181 H182 L186 I187 A188 | F2-G184 WeakPolarHBondContact CE2-O 3.43Å; F2-G184 WeakPolarHBondContact CZ-O 3.36Å; A180-G184 PolarHBondContact O-N 3.33Å; L181-G184 WeakPolarHBondContact O-CA 3.31Å; L181-G184 PolarHBondContact O-N 3.34Å; H182-G184 VanDerWaalsContact C-N 3.25Å; H182-G184 PolarHBondContact O-N 3Å; G184-L186 PolarHBondContact O-N 3.45Å; G184-I187 PolarHBondContact O-N 2.93Å; G184-A188 PolarHBondContact O-N 3.3Å; G184-A188 VanDerWaalsContact O-N 3.12Å |
| 185 | S | 96.6 | Very high | 88.5 | Confident | 36 Ų | 36 | 27.9 Ų | 27.9 | 25% | 0.252 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63 | -40.4 | 174.6 | 84.9 | 0 | 0 | 0 | 0 | 112.4 | L181 H182 V183 I187 A188 E189 | L181-S185 PolarHBondContact O-N 2.89Å; H182-S185 WeakPolarHBondContact O-CA 3.06Å; H182-S185 VanDerWaalsContact O-CB 3.31Å; H182-S185 WeakPolarHBondContact O-CB 3.17Å; H182-S185 PolarHBondContact O-N 3.22Å; H182-S185 PolarHBondContact O-OG 2.82Å; V183-S185 VanDerWaalsContact C-N 3.3Å; V183-S185 PolarHBondContact O-N 2.71Å; S185-I187 VanDerWaalsContact C-N 3.33Å; S185-I187 PolarHBondContact O-N 3.31Å; S185-A188 PolarHBondContact O-N 2.91Å; S185-E189 PolarHBondContact O-N 2.99Å |
| 186 | L | 97 | Very high | 86 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.6 | -32.5 | 178.2 | -58.2 | -176.6 | 0 | 0 | 0 | 112 | L70 L73 M74 D77 L81 H182 V183 G184 E189 A190 | L70-L186 HydrophobicContact CD1-CB 3.88Å; L73-L186 HydrophobicContact CB-CB 4.3Å; L73-L186 HydrophobicContact CB-CD1 4.41Å; L73-L186 HydrophobicContact CB-CD2 4.35Å; L73-L186 HydrophobicContact CD1-CB 4.5Å; L73-L186 VanDerWaalsContact CD1-O 3.31Å; L73-L186 WeakPolarHBondContact CD1-O 3.23Å; M74-L186 HydrophobicContact CG-CD1 3.82Å; D77-L186 WeakPolarHBondContact OD2-CD2 3.4Å; L81-L186 HydrophobicContact CD1-CD1 4.21Å; H182-L186 PolarHBondContact O-N 3.13Å; H182-L186 VanDerWaalsContact O-N 3.11Å; V183-L186 PolarHBondContact O-N 2.86Å; V183-L186 VanDerWaalsContact O-N 3.14Å; G184-L186 PolarHBondContact O-N 3.45Å; L186-E189 PolarHBondContact O-N 3.16Å; L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.49Å; L186-A190 PolarHBondContact O-N 3.35Å |
| 187 | I | 95.9 | Very high | 83.7 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 173.2 | -71.3 | 163.6 | 0 | 0 | 0 | 110.6 | L70 V183 G184 S185 A190 S191 F219 V224 | L70-I187 HydrophobicContact CD1-CG1 3.77Å; L70-I187 HydrophobicContact CD2-CD1 4.36Å; L70-I187 HydrophobicContact CD2-CG1 3.93Å; L70-I187 HydrophobicContact CG-CG1 4.49Å; V183-I187 HydrophobicContact CG1-CD1 3.96Å; V183-I187 HydrophobicContact CG1-CG1 4.4Å; V183-I187 WeakPolarHBondContact O-CG1 3.27Å; V183-I187 PolarHBondContact O-N 2.99Å; G184-I187 PolarHBondContact O-N 2.93Å; S185-I187 VanDerWaalsContact C-N 3.33Å; S185-I187 PolarHBondContact O-N 3.31Å; I187-A190 WeakPolarHBondContact O-CB 3.15Å; I187-A190 PolarHBondContact O-N 2.72Å; I187-S191 PolarHBondContact O-N 3Å; I187-S191 PolarHBondContact O-OG 3.46Å; I187-F219 HydrophobicContact CG2-CB 3.97Å; I187-F219 HydrophobicContact CG2-CD2 3.99Å; I187-F219 HydrophobicContact CG2-CG 3.94Å; I187-V224 HydrophobicContact CD1-CB 4.05Å; I187-V224 HydrophobicContact CD1-CG1 3.72Å; I187-V224 HydrophobicContact CD1-CG2 4.03Å; I187-V224 HydrophobicContact CG2-CB 4.32Å; I187-V224 HydrophobicContact CG2-CG2 4.36Å |
| 188 | A | 93.2 | Very high | 81.2 | Confident | 17 Ų | 17 | 37.3 Ų | 37.3 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F2 G184 S185 S191 | F2-A188 HydrophobicContact CE2-CB 3.94Å; F2-A188 HydrophobicContact CZ-CB 3.99Å; G184-A188 PolarHBondContact O-N 3.3Å; G184-A188 VanDerWaalsContact O-N 3.12Å; S185-A188 PolarHBondContact O-N 2.91Å; A188-S191 VanDerWaalsContact O-CB 3.28Å; A188-S191 WeakPolarHBondContact O-CB 3.3Å; A188-S191 PolarHBondContact O-N 3.49Å |
| 189 | E | 93.3 | Very high | 78.8 | Confident | 60 Ų | 60 | 39.9 Ų | 39.9 | 28% | 0.28 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 175.6 | -164.7 | -167.3 | 145.9 | 0 | 0 | 111.9 | R69 L73 R76 S185 L186 S191 Q192 | R69-E189 PolarHBondContact NH2-O 3.18Å; L73-E189 HydrophobicContact CD1-CB 4.21Å; L73-E189 WeakPolarHBondContact CD2-OE1 3.34Å; R76-E189 IonicContact CZ-OE1 3.92Å; R76-E189 IonicContact CZ-OE2 2.59Å; R76-E189 IonicContact NH1-OE1 3.15Å; R76-E189 PolarHBondContact NH1-OE1 2.91Å; R76-E189 IonicContact NH1-OE2 3.81Å; R76-E189 PolarHBondContact NH1-OE2 3.22Å; R76-E189 IonicContact NH2-OE1 3.77Å; R76-E189 IonicContact NH2-OE2 2.78Å; R76-E189 PolarHBondContact NH2-OE2 2.78Å; S185-E189 PolarHBondContact O-N 2.99Å; L186-E189 PolarHBondContact O-N 3.16Å; E189-S191 PolarHBondContact O-N 3.32Å; E189-Q192 PolarHBondContact O-N 3.09Å |
| 190 | A | 90.2 | Very high | 76.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.7 | -21.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | R69 L73 L186 I187 F219 | R69-A190 HydrophobicContact CG-CB 4.47Å; R69-A190 PolarHBondContact NH1-O 3.45Å; R69-A190 VanDerWaalsContact NH2-CA 3.31Å; R69-A190 PolarHBondContact NH2-O 3.46Å; L73-A190 HydrophobicContact CD1-CB 3.88Å; L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.49Å; L186-A190 PolarHBondContact O-N 3.35Å; I187-A190 WeakPolarHBondContact O-CB 3.15Å; I187-A190 PolarHBondContact O-N 2.72Å; A190-F219 HydrophobicContact CB-CD2 3.91Å; A190-F219 HydrophobicContact CB-CE2 4.07Å |
| 191 | S | 80 | Confident | 74.1 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -83.4 | -21.6 | 174.8 | -63.1 | 0 | 0 | 0 | 0 | 115.3 | I187 A188 E189 S218 F219 | I187-S191 PolarHBondContact O-N 3Å; I187-S191 PolarHBondContact O-OG 3.46Å; A188-S191 VanDerWaalsContact O-CB 3.28Å; A188-S191 WeakPolarHBondContact O-CB 3.3Å; A188-S191 PolarHBondContact O-N 3.49Å; E189-S191 PolarHBondContact O-N 3.32Å; S191-S218 WeakPolarHBondContact O-CB 3.33Å; S191-F219 WeakPolarHBondContact OG-CA 3.42Å; S191-F219 WeakPolarHBondContact OG-CB 3.34Å; S191-F219 PolarHBondContact OG-N 3.49Å; S191-F219 PolarHBondContact OG-O 2.93Å |
| 192 | Q | 71.9 | Confident | 71.8 | Confident | 127 Ų | 127 | 56.5 Ų | 56.5 | 59% | 0.593 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -92.7 | -33 | -167.5 | -67.3 | 177.7 | 1.7 | 0 | 0 | 115.7 | E189 I194 S195 | E189-Q192 PolarHBondContact O-N 3.09Å; Q192-I194 PolarHBondContact O-N 3.04Å; Q192-S195 WeakPolarHBondContact O-CB 3.45Å; Q192-S195 PolarHBondContact O-N 3.44Å |
| 193 | F | 56 | Low | 69.8 | Low | 113 Ų | 113 | 60.5 Ų | 60.5 | 50% | 0.496 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.6 | -33 | -167.1 | -174.4 | -105 | 0 | 0 | 0 | 114.8 | S195 Q196 I197 | F193-S195 VanDerWaalsContact C-N 3.27Å; F193-S195 PolarHBondContact O-N 3.32Å; F193-Q196 PolarHBondContact O-N 3.42Å; F193-Q196 VanDerWaalsContact O-N 3.17Å; F193-I197 HydrophobicContact CD1-CD1 4.08Å; F193-I197 HydrophobicContact CE1-CD1 3.76Å |
| 194 | I | 52.9 | Low | 67.7 | Low | 29 Ų | 29 | 65.5 Ų | 65.5 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.7 | -22.7 | -177.2 | -47.8 | -177.1 | 0 | 0 | 0 | 111.1 | L65 Q192 Q196 I197 I198 S216 A217 | L65-I194 HydrophobicContact CD2-CD1 4.49Å; Q192-I194 PolarHBondContact O-N 3.04Å; I194-Q196 PolarHBondContact O-N 3.06Å; I194-I197 PolarHBondContact O-N 3.28Å; I194-I198 HydrophobicContact CG2-CD1 4.29Å; I194-I198 HydrophobicContact CG2-CG1 4.46Å; I194-I198 WeakPolarHBondContact O-CG1 3.37Å; I194-I198 PolarHBondContact O-N 2.75Å; I194-S216 VanDerWaalsContact CB-CB 3.43Å; I194-S216 VanDerWaalsContact CG2-CA 3.44Å; I194-S216 VanDerWaalsContact CG2-CB 3.44Å; I194-A217 HydrophobicContact CD1-CB 4.16Å; I194-A217 VanDerWaalsContact CD1-O 3.29Å; I194-A217 WeakPolarHBondContact CD1-O 3.02Å |
| 195 | S | 47.3 | Very low | 65.3 | Low | 67 Ų | 67 | 70 Ų | 70 | 47% | 0.469 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.8 | -30.6 | 170.4 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | Q192 F193 S199 | Q192-S195 WeakPolarHBondContact O-CB 3.45Å; Q192-S195 PolarHBondContact O-N 3.44Å; F193-S195 VanDerWaalsContact C-N 3.27Å; F193-S195 PolarHBondContact O-N 3.32Å; S195-S199 PolarHBondContact O-N 2.97Å |
| 196 | Q | 46.4 | Very low | 62.9 | Low | 128 Ų | 128 | 78.8 Ų | 78.8 | 60% | 0.598 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -78.1 | -40.6 | 179.5 | -66.3 | -176.9 | -8.9 | 0 | 0 | 112.7 | F193 I194 I198 S199 V200 | F193-Q196 PolarHBondContact O-N 3.42Å; F193-Q196 VanDerWaalsContact O-N 3.17Å; I194-Q196 PolarHBondContact O-N 3.06Å; Q196-I198 VanDerWaalsContact C-N 3.33Å; Q196-I198 PolarHBondContact O-N 2.91Å; Q196-S199 PolarHBondContact O-N 3.05Å; Q196-S199 VanDerWaalsContact O-N 3.15Å; Q196-S199 PolarHBondContact O-OG 2.84Å; Q196-V200 PolarHBondContact O-N 3.38Å |
| 197 | I | 49.1 | Very low | 60.5 | Low | 80 Ų | 80 | 84.5 Ų | 84.5 | 41% | 0.41 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 178.2 | -64.7 | 177.4 | 0 | 0 | 0 | 110.9 | F193 I194 S199 V200 E201 | F193-I197 HydrophobicContact CD1-CD1 4.08Å; F193-I197 HydrophobicContact CE1-CD1 3.76Å; I194-I197 PolarHBondContact O-N 3.28Å; I197-S199 VanDerWaalsContact C-N 3.27Å; I197-S199 PolarHBondContact O-N 2.71Å; I197-V200 PolarHBondContact O-N 2.87Å; I197-E201 PolarHBondContact O-N 2.91Å |
| 198 | I | 47.6 | Very low | 57.8 | Low | 35 Ų | 35 | 94.1 Ų | 94.1 | 18% | 0.179 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -65.5 | -31.6 | 178.2 | -63.3 | 170.3 | 0 | 0 | 0 | 111.7 | I194 Q196 V200 K202 F214 | I194-I198 HydrophobicContact CG2-CD1 4.29Å; I194-I198 HydrophobicContact CG2-CG1 4.46Å; I194-I198 WeakPolarHBondContact O-CG1 3.37Å; I194-I198 PolarHBondContact O-N 2.75Å; Q196-I198 VanDerWaalsContact C-N 3.33Å; Q196-I198 PolarHBondContact O-N 2.91Å; I198-V200 VanDerWaalsContact C-N 3.3Å; I198-V200 PolarHBondContact O-N 2.9Å; I198-K202 HydrophobicContact CG2-CD 4.24Å; I198-K202 HydrophobicContact CG2-CG 4.5Å; I198-K202 WeakPolarHBondContact O-CG 3.24Å; I198-K202 PolarHBondContact O-N 2.78Å; I198-F214 WeakPolarHBondContact CD1-O 3.28Å |
| 199 | S | 46.9 | Very low | 55.1 | Low | 71 Ų | 71 | 100.6 Ų | 100.6 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -32.6 | 178 | 83.2 | 0 | 0 | 0 | 0 | 112.5 | S195 Q196 I197 | S195-S199 PolarHBondContact O-N 2.97Å; Q196-S199 PolarHBondContact O-N 3.05Å; Q196-S199 VanDerWaalsContact O-N 3.15Å; Q196-S199 PolarHBondContact O-OG 2.84Å; I197-S199 VanDerWaalsContact C-N 3.27Å; I197-S199 PolarHBondContact O-N 2.71Å |
| 200 | V | 50.3 | Low | 52.5 | Low | 91 Ų | 91 | 103 Ų | 103 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76.2 | -42.4 | 179.3 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | Q196 I197 I198 K202 T203 T204 | Q196-V200 PolarHBondContact O-N 3.38Å; I197-V200 PolarHBondContact O-N 2.87Å; I198-V200 VanDerWaalsContact C-N 3.3Å; I198-V200 PolarHBondContact O-N 2.9Å; V200-K202 VanDerWaalsContact C-N 3.35Å; V200-K202 PolarHBondContact O-N 3Å; V200-T203 PolarHBondContact O-N 3.42Å; V200-T203 PolarHBondContact O-OG1 3.36Å; V200-T204 PolarHBondContact O-OG1 2.59Å |
| 201 | E | 49.4 | Very low | 49.9 | Very low | 110 Ų | 110 | 110.4 Ų | 110.4 | 51% | 0.514 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.7 | -36.7 | 179.3 | -75.9 | -173.2 | 154.7 | 0 | 0 | 112.7 | I197 T203 T204 T205 | I197-E201 PolarHBondContact O-N 2.91Å; E201-T203 PolarHBondContact O-N 3.44Å; E201-T203 VanDerWaalsContact O-N 3.14Å; E201-T204 PolarHBondContact O-N 3.35Å; E201-T204 VanDerWaalsContact O-N 3.1Å; E201-T204 PolarHBondContact O-OG1 2.81Å; E201-T205 PolarHBondContact O-OG1 2.85Å |
| 202 | K | 50.5 | Low | 47.8 | Very low | 170 Ų | 170 | 117.9 Ų | 117.9 | 74% | 0.739 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -20 | 177.2 | -76.8 | -177.4 | 178.8 | -179 | 0 | 113.8 | I198 V200 | I198-K202 HydrophobicContact CG2-CD 4.24Å; I198-K202 HydrophobicContact CG2-CG 4.5Å; I198-K202 WeakPolarHBondContact O-CG 3.24Å; I198-K202 PolarHBondContact O-N 2.78Å; V200-K202 VanDerWaalsContact C-N 3.35Å; V200-K202 PolarHBondContact O-N 3Å |
| 203 | T | 54.6 | Low | 46.2 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 71% | 0.712 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -11.9 | 176.2 | 36.7 | 0 | 0 | 0 | 0 | 114.8 | V200 E201 | V200-T203 PolarHBondContact O-N 3.42Å; V200-T203 PolarHBondContact O-OG1 3.36Å; E201-T203 PolarHBondContact O-N 3.44Å; E201-T203 VanDerWaalsContact O-N 3.14Å |
| 204 | T | 54.4 | Low | 45.6 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 66% | 0.656 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | -7.6 | -166.9 | 32.1 | 0 | 0 | 0 | 0 | 117 | V200 E201 | V200-T204 PolarHBondContact O-OG1 2.59Å; E201-T204 PolarHBondContact O-N 3.35Å; E201-T204 VanDerWaalsContact O-N 3.1Å; E201-T204 PolarHBondContact O-OG1 2.81Å |
| 205 | T | 47.2 | Very low | 45.4 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 58% | 0.577 | 63% | 0.625 | S | S | * | * | trans | -139.2 | 107.5 | -177.5 | 39 | 0 | 0 | 0 | 0 | 113.6 | E201 I207 | E201-T205 PolarHBondContact O-OG1 2.85Å; T205-I207 PolarHBondContact O-N 2.91Å | ||
| 206 | K | 46 | Very low | 45.7 | Very low | 221 Ų | 221 | 120.2 Ų | 120.2 | 96% | 0.961 | 61% | 0.614 | S | S | * | * | trans | -82.3 | 58 | 162.7 | -76.5 | -172.9 | 175.6 | -178.8 | 0 | 110.9 | ||||
| 207 | I | 48.5 | Very low | 46.4 | Very low | 121 Ų | 121 | 114.2 Ų | 114.2 | 62% | 0.621 | 59% | 0.586 | S | S | * | * | trans | -120.8 | 110.6 | 173.7 | -56.5 | 179.3 | 0 | 0 | 0 | 107.6 | T205 Q209 | T205-I207 PolarHBondContact O-N 2.91Å; I207-Q209 VanDerWaalsContact C-N 3.25Å; I207-Q209 HydrophobicContact CG2-CG 3.82Å; I207-Q209 PolarHBondContact O-N 3.48Å | ||
| 208 | E | 39 | Very low | 48 | Very low | 203 Ų | 203 | 111.6 Ų | 111.6 | 95% | 0.949 | 58% | 0.575 | S | S | * | * | trans | -65.4 | 86.7 | 166.8 | -71.3 | -178.8 | 164.1 | 0 | 0 | 108.6 | ||||
| 209 | Q | 36.2 | Very low | 50.1 | Low | 153 Ų | 153 | 110 Ų | 110 | 72% | 0.715 | 57% | 0.566 | S | S | * | * | trans | -90.2 | 144.5 | 161.3 | -70.5 | -144.9 | -12.5 | 0 | 0 | 108.9 | I207 N211 | I207-Q209 VanDerWaalsContact C-N 3.25Å; I207-Q209 HydrophobicContact CG2-CG 3.82Å; I207-Q209 PolarHBondContact O-N 3.48Å; Q209-N211 PolarHBondContact O-N 3.46Å | ||
| 210 | P | 38.7 | Very low | 52.3 | Low | 110 Ų | 110 | 107 Ų | 107 | 71% | 0.714 | 55% | 0.545 | S | S | * | . | trans | -54.4 | 131.5 | 179.9 | 24.3 | -33 | 0 | 0 | 0 | 108.7 | F212 | P210-F212 PolarHBondContact O-N 2.9Š| ||
| 211 | N | 34.4 | Very low | 54.5 | Low | 156 Ų | 156 | 106 Ų | 106 | 83% | 0.834 | 54% | 0.541 | S | S | * | . | trans | -40.5 | 67.6 | -174.7 | -68.7 | -27.7 | 0 | 0 | 0 | 115.8 | Q209 Q213 | Q209-N211 PolarHBondContact O-N 3.46Å; N211-Q213 PolarHBondContact O-N 3.35Å | ||
| 212 | F | 37.3 | Very low | 56.7 | Low | 173 Ų | 173 | 100.8 Ų | 100.8 | 76% | 0.759 | 52% | 0.516 | S | S | * | . | trans | -76.6 | 76.2 | 149.6 | -87 | -82.8 | 0 | 0 | 0 | 105 | P210 F214 | P210-F212 PolarHBondContact O-N 2.9Å; F212-F214 HydrophobicContact CB-CE2 4.33Å; F212-F214 WeakPolarHBondContact O-CD2 3.19Å; F212-F214 PolarHBondContact O-N 3.18Å | ||
| 213 | Q | 37.4 | Very low | 59 | Low | 138 Ų | 138 | 92.7 Ų | 92.7 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | trans | -62.3 | 97.7 | 162.1 | -145.4 | 173.5 | -37.8 | 0 | 0 | 104.1 | N211 D215 | N211-Q213 PolarHBondContact O-N 3.35Å; Q213-D215 WeakPolarHBondContact CG-OD1 3.36Å; Q213-D215 PolarHBondContact NE2-OD1 3.31Å; Q213-D215 PolarHBondContact O-N 2.87Å | ||
| 214 | F | 42.9 | Very low | 61.1 | Low | 124 Ų | 124 | 87.2 Ų | 87.2 | 54% | 0.544 | 45% | 0.448 | S | S | . | . | trans | -63.9 | 68.6 | 160.5 | -73.3 | -89.9 | 0 | 0 | 0 | 105.8 | I198 F212 S216 | I198-F214 WeakPolarHBondContact CD1-O 3.28Å; F212-F214 HydrophobicContact CB-CE2 4.33Å; F212-F214 WeakPolarHBondContact O-CD2 3.19Å; F212-F214 PolarHBondContact O-N 3.18Å; F214-S216 PolarHBondContact O-N 2.87Å | ||
| 215 | D | 49 | Very low | 63.2 | Low | 91 Ų | 91 | 82.1 Ų | 82.1 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | trans | -58.5 | 118.2 | 175 | -94.1 | -17.1 | 0 | 0 | 0 | 105.3 | Q213 A217 | Q213-D215 WeakPolarHBondContact CG-OD1 3.36Å; Q213-D215 PolarHBondContact NE2-OD1 3.31Å; Q213-D215 PolarHBondContact O-N 2.87Å; D215-A217 PolarHBondContact O-N 2.86Å | ||
| 216 | S | 54.6 | Low | 65.6 | Low | 32 Ų | 32 | 77.8 Ų | 77.8 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | trans | -47 | 109.3 | 179.1 | 39.5 | 0 | 0 | 0 | 0 | 108.6 | I194 F214 S218 | I194-S216 VanDerWaalsContact CB-CB 3.43Å; I194-S216 VanDerWaalsContact CG2-CA 3.44Å; I194-S216 VanDerWaalsContact CG2-CB 3.44Å; F214-S216 PolarHBondContact O-N 2.87Å; S216-S218 PolarHBondContact O-N 3.38Å | ||
| 217 | A | 60.5 | Low | 68.2 | Low | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | trans | -62.6 | 109.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | R62 L65 L66 I194 D215 | R62-A217 HydrophobicContact CB-CB 4.16Å; L65-A217 HydrophobicContact CD2-CB 4.37Å; L66-A217 HydrophobicContact CD1-CB 4.36Å; L66-A217 HydrophobicContact CD2-CB 4.27Å; L66-A217 VanDerWaalsContact CD2-O 3.29Å; L66-A217 WeakPolarHBondContact CD2-O 3.22Å; L66-A217 HydrophobicContact CG-CB 4.04Å; I194-A217 HydrophobicContact CD1-CB 4.16Å; I194-A217 VanDerWaalsContact CD1-O 3.29Å; I194-A217 WeakPolarHBondContact CD1-O 3.02Å; D215-A217 PolarHBondContact O-N 2.86Å | ||
| 218 | S | 83 | Confident | 70.5 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | trans | -122.3 | 150.4 | 172.7 | 59.2 | 0 | 0 | 0 | 0 | 108.2 | L66 S191 S216 P220 | L66-S218 WeakPolarHBondContact CD1-O 3.45Å; S191-S218 WeakPolarHBondContact O-CB 3.33Å; S216-S218 PolarHBondContact O-N 3.38Å; S218-P220 WeakPolarHBondContact O-CD 3.44Å; S218-P220 VanDerWaalsContact O-N 3.16Å | ||
| 219 | F | 91.6 | Very high | 73.4 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | trans | -66.8 | 110.5 | 162.9 | -76.6 | -79.4 | 0 | 0 | 0 | 108.1 | N5 W55 L66 L70 L162 I187 A190 S191 V223 | N5-F219 PolarHBondContact ND2-O 3.05Å; N5-F219 VanDerWaalsContact ND2-O 3.09Å; W55-F219 HydrophobicContact CH2-CD1 4.19Å; W55-F219 HydrophobicContact CH2-CE1 4.02Å; W55-F219 HydrophobicContact CZ3-CD1 4.26Å; W55-F219 HydrophobicContact CZ3-CE1 4.47Å; L66-F219 HydrophobicContact CB-CD2 4.27Å; L66-F219 HydrophobicContact CB-CE1 4.18Å; L66-F219 HydrophobicContact CB-CE2 3.72Å; L66-F219 HydrophobicContact CB-CZ 3.68Å; L66-F219 HydrophobicContact CD1-CD1 4.46Å; L66-F219 HydrophobicContact CD1-CG 4.46Å; L66-F219 HydrophobicContact CD2-CD2 3.97Å; L66-F219 HydrophobicContact CD2-CE2 4.15Å; L66-F219 HydrophobicContact CG-CE2 4.45Å; L70-F219 HydrophobicContact CB-CE2 4.47Å; L162-F219 HydrophobicContact CD1-CE1 3.89Å; L162-F219 HydrophobicContact CD1-CZ 4.35Å; L162-F219 HydrophobicContact CD2-CE1 4.37Å; I187-F219 HydrophobicContact CG2-CB 3.97Å; I187-F219 HydrophobicContact CG2-CD2 3.99Å; I187-F219 HydrophobicContact CG2-CG 3.94Å; A190-F219 HydrophobicContact CB-CD2 3.91Å; A190-F219 HydrophobicContact CB-CE2 4.07Å; S191-F219 WeakPolarHBondContact OG-CA 3.42Å; S191-F219 WeakPolarHBondContact OG-CB 3.34Å; S191-F219 PolarHBondContact OG-N 3.49Å; S191-F219 PolarHBondContact OG-O 2.93Å; F219-V223 HydrophobicContact CD1-CG1 4.17Å | ||
| 220 | P | 93.3 | Very high | 76.3 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | trans | -59.5 | 146.2 | 177.9 | -20.7 | 34.4 | 0 | 0 | 0 | 110.3 | L54 W55 S218 G222 V223 | L54-P220 HydrophobicContact CB-CB 4.45Å; L54-P220 HydrophobicContact CB-CG 4.11Å; L54-P220 HydrophobicContact CD2-CB 4.17Å; L54-P220 HydrophobicContact CD2-CG 3.81Å; L54-P220 HydrophobicContact CG-CG 3.9Å; W55-P220 HydrophobicContact CB-CG 4.13Å; W55-P220 HydrophobicContact CE3-CG 4.23Å; S218-P220 WeakPolarHBondContact O-CD 3.44Å; S218-P220 VanDerWaalsContact O-N 3.16Å; P220-G222 PolarHBondContact O-N 2.87Å; P220-V223 HydrophobicContact CB-CG2 4.05Å; P220-V223 HydrophobicContact CG-CG2 4.14Å; P220-V223 WeakPolarHBondContact O-CB 3.49Å; P220-V223 WeakPolarHBondContact O-CG2 3.17Å; P220-V223 PolarHBondContact O-N 3.24Å; P220-V223 VanDerWaalsContact O-N 3.17Å | ||
| 221 | P | 95.1 | Very high | 79.2 | Confident | 71 Ų | 71 | 44.9 Ų | 44.9 | 46% | 0.461 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 134.5 | 171.7 | -28.7 | 36.6 | 0 | 0 | 0 | 111.5 | D4 N5 A48 V223 | D4-P221 WeakPolarHBondContact OD1-CA 3.44Å; D4-P221 WeakPolarHBondContact OD1-CB 3.46Å; N5-P221 HydrophobicContact CB-CB 4.5Å; A48-P221 VanDerWaalsContact CB-O 3.28Å; A48-P221 WeakPolarHBondContact CB-O 3.23Å; P221-V223 VanDerWaalsContact C-N 3.34Å; P221-V223 PolarHBondContact O-N 3.19Å |
| 222 | G | 97.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -7.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D4 A45 P220 V224 N225 | D4-G222 PolarHBondContact OD1-N 3.44Å; A45-G222 VanDerWaalsContact CA-O 3.24Å; A45-G222 WeakPolarHBondContact CA-O 3Å; P220-G222 PolarHBondContact O-N 2.87Å; G222-V224 VanDerWaalsContact C-N 3.34Å; G222-V224 PolarHBondContact O-N 3.41Å; G222-N225 PolarHBondContact O-ND2 3.33Å |
| 223 | V | 98 | Very high | 85.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -65.6 | -37.8 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 112.3 | A48 W55 L162 T167 V168 F219 P220 P221 | A48-V223 HydrophobicContact CB-CG2 3.96Å; W55-V223 HydrophobicContact CB-CG2 3.74Å; W55-V223 HydrophobicContact CD2-CG1 3.91Å; W55-V223 HydrophobicContact CD2-CG2 3.74Å; W55-V223 HydrophobicContact CE3-CG1 4.36Å; W55-V223 HydrophobicContact CE3-CG2 4.18Å; W55-V223 HydrophobicContact CG-CG1 4.32Å; W55-V223 HydrophobicContact CG-CG2 3.51Å; W55-V223 HydrophobicContact CH2-CG1 4.33Å; W55-V223 HydrophobicContact CZ2-CG1 3.86Å; L162-V223 HydrophobicContact CD2-CG1 3.5Å; L162-V223 VanDerWaalsContact CD2-CG1 3.5Å; T167-V223 CarbonylContact C-O 3.49Å; T167-V223 WeakPolarHBondContact CA-O 3.22Å; T167-V223 HydrophobicContact CG2-CB 4.39Å; T167-V223 HydrophobicContact CG2-CG1 4.47Å; T167-V223 HydrophobicContact CG2-CG2 4.1Å; V168-V223 PolarHBondContact N-O 3.03Å; F219-V223 HydrophobicContact CD1-CG1 4.17Å; P220-V223 HydrophobicContact CB-CG2 4.05Å; P220-V223 HydrophobicContact CG-CG2 4.14Å; P220-V223 WeakPolarHBondContact O-CB 3.49Å; P220-V223 WeakPolarHBondContact O-CG2 3.17Å; P220-V223 PolarHBondContact O-N 3.24Å; P220-V223 VanDerWaalsContact O-N 3.17Å; P221-V223 VanDerWaalsContact C-N 3.34Å; P221-V223 PolarHBondContact O-N 3.19Å |
| 224 | V | 98.5 | Very high | 88 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128 | 172.8 | -178 | 0 | 0 | 0 | 0 | 109.2 | L162 V168 I187 G222 I226 | L162-V224 HydrophobicContact CD1-CG2 4.05Å; L162-V224 HydrophobicContact CD2-CG2 3.92Å; V168-V224 HydrophobicContact CG2-CB 4.03Å; V168-V224 HydrophobicContact CG2-CG1 3.83Å; V168-V224 HydrophobicContact CG2-CG2 3.83Å; I187-V224 HydrophobicContact CD1-CB 4.05Å; I187-V224 HydrophobicContact CD1-CG1 3.72Å; I187-V224 HydrophobicContact CD1-CG2 4.03Å; I187-V224 HydrophobicContact CG2-CB 4.32Å; I187-V224 HydrophobicContact CG2-CG2 4.36Å; G222-V224 VanDerWaalsContact C-N 3.34Å; G222-V224 PolarHBondContact O-N 3.41Å; V224-I226 HydrophobicContact CG1-CG1 4.25Å |
| 225 | N | 98.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 137.3 | 176.3 | -48 | -89.8 | 0 | 0 | 0 | 108.3 | F2 D4 A41 V168 V169 V170 G222 | F2-N225 CarbonylContact O-C 3.56Å; F2-N225 WeakPolarHBondContact O-CA 3.35Å; D4-N225 PolarHBondContact N-OD1 2.8Å; D4-N225 VanDerWaalsContact N-OD1 3.16Å; A41-N225 HydrophobicContact CB-CB 3.87Å; V168-N225 PolarHBondContact O-N 3.16Å; V168-N225 PolarHBondContact O-ND2 3.01Å; V168-N225 VanDerWaalsContact O-ND2 3.11Å; V169-N225 CarbonylContact C-O 3.51Å; V169-N225 WeakPolarHBondContact CA-O 3.37Å; V169-N225 HydrophobicContact CG2-CB 4.42Å; V170-N225 PolarHBondContact N-O 3.48Å; G222-N225 PolarHBondContact O-ND2 3.33Å |
| 226 | I | 98.8 | Very high | 93 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 115.2 | -176.4 | -47.8 | -177.3 | 0 | 0 | 0 | 109.2 | F2 V170 P172 A180 L181 V224 P228 | F2-I226 HydrophobicContact CB-CB 4.2Å; F2-I226 HydrophobicContact CB-CG1 4.47Å; F2-I226 HydrophobicContact CD1-CG1 4.36Å; F2-I226 PolarHBondContact N-O 2.67Å; F2-I226 PolarHBondContact O-N 3.44Å; V170-I226 HydrophobicContact CB-CG1 4.35Å; V170-I226 CarbonylContact O-C 3.49Å; V170-I226 WeakPolarHBondContact O-CA 3.19Å; P172-I226 HydrophobicContact CG-CG2 4.14Å; A180-I226 HydrophobicContact CB-CG2 4.39Å; A180-I226 WeakPolarHBondContact O-CD1 3.43Å; L181-I226 HydrophobicContact CD2-CG2 4.13Å; V224-I226 HydrophobicContact CG1-CG1 4.25Å; I226-P228 WeakPolarHBondContact O-CD 3.31Å |
| 227 | V | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -120.8 | 78.6 | -172.9 | -73.4 | 0 | 0 | 0 | 0 | 110.1 | I3 A33 V38 A41 V169 V170 K171 T234 | I3-V227 HydrophobicContact CD1-CG1 4.07Å; I3-V227 HydrophobicContact CG1-CG1 4.29Å; A33-V227 HydrophobicContact CB-CB 3.67Å; A33-V227 HydrophobicContact CB-CG1 4.23Å; V38-V227 HydrophobicContact CG2-CG2 4.41Å; A41-V227 HydrophobicContact CB-CG1 3.79Å; V169-V227 HydrophobicContact CG1-CG2 3.63Å; V170-V227 WeakPolarHBondContact O-CG2 3.46Å; V170-V227 PolarHBondContact O-N 3.21Å; K171-V227 HydrophobicContact CB-CG2 4.49Å; V227-T234 HydrophobicContact CB-CG2 4.34Å; V227-T234 HydrophobicContact CG2-CG2 4.3Å; V227-T234 WeakPolarHBondContact O-CG2 3.23Å | ||
| 228 | P | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -63.1 | 146 | 173.3 | 27.8 | -36.8 | 0 | 0 | 0 | 111.7 | M1 F16 V30 A33 P172 P177 L181 I226 | M1-P228 HydrophobicContact CG-CG 4.29Å; F16-P228 HydrophobicContact CE1-CB 4.19Å; F16-P228 HydrophobicContact CZ-CB 4.05Å; V30-P228 HydrophobicContact CG1-CB 3.86Å; V30-P228 HydrophobicContact CG1-CG 3.59Å; A33-P228 WeakPolarHBondContact CB-O 3.37Å; A33-P228 PolarHBondContact N-O 3.05Å; P172-P228 HydrophobicContact CG-CB 3.98Å; P177-P228 HydrophobicContact CB-CB 3.99Å; L181-P228 HydrophobicContact CD2-CG 4.09Å; I226-P228 WeakPolarHBondContact O-CD 3.31Å | ||
| 229 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | 164.7 | -174.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K171 T234 | K171-G229 WeakPolarHBondContact CE-O 3.38Å; K171-G229 PolarHBondContact NZ-O 2.8Å; G229-T234 VanDerWaalsContact CA-OG1 3.26Å; G229-T234 WeakPolarHBondContact CA-OG1 3.35Å | ||
| 230 | Y | 98.4 | Very high | 97.9 | Very high | 90 Ų | 90 | 24.9 Ų | 24.9 | 35% | 0.353 | 14% | 0.141 | S | C | . | . | trans | -77.1 | 143.4 | -176.1 | -71.1 | -76 | 0 | 0 | 0 | 112.9 | F16 E32 E174 I233 T234 G235 | F16-Y230 HydrophobicContact CB-CE2 3.93Å; F16-Y230 HydrophobicContact CG-CE2 4.43Å; E32-Y230 HydrophobicContact CG-CD2 4.29Å; E174-Y230 HydrophobicContact CB-CD1 4.1Å; E174-Y230 HydrophobicContact CB-CE1 4.27Å; E174-Y230 HydrophobicContact CG-CD1 3.76Å; E174-Y230 HydrophobicContact CG-CE1 4.02Å; Y230-I233 PolarHBondContact O-N 3.29Å; Y230-I233 VanDerWaalsContact O-N 3.14Å; Y230-T234 PolarHBondContact N-OG1 2.87Å; Y230-T234 WeakPolarHBondContact O-CB 3.35Å; Y230-T234 PolarHBondContact O-N 2.94Å; Y230-T234 PolarHBondContact O-OG1 3.12Å; Y230-G235 PolarHBondContact O-N 3.47Å | ||
| 231 | G | 97.9 | Very high | 98.2 | Very high | 27 Ų | 27 | 25.6 Ų | 25.6 | 28% | 0.278 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -50.6 | -53.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E174 I233 G235 E236 | E174-G231 PolarHBondContact OE1-N 3.15Å; G231-I233 PolarHBondContact O-N 3.45Å; G231-I233 VanDerWaalsContact O-N 3.09Å; G231-G235 CarbonylContact O-C 3.55Å; G231-G235 WeakPolarHBondContact O-CA 3.5Å; G231-G235 PolarHBondContact O-N 3.3Å; G231-E236 PolarHBondContact O-N 2.9Å |
| 232 | P | 97.7 | Very high | 98.3 | Very high | 98 Ų | 98 | 32.5 Ų | 32.5 | 64% | 0.636 | 16% | 0.161 | S | C | * | . | I | π-helix | trans | -65.4 | -7.9 | -179.9 | -24.6 | 35.4 | 0 | 0 | 0 | 116 | ||
| 233 | I | 98.2 | Very high | 98.3 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 38% | 0.379 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -115.6 | -65.3 | -179.8 | -58.7 | 174 | 0 | 0 | 0 | 109 | K34 Y230 G231 A237 | K34-I233 HydrophobicContact CB-CG2 4.3Å; K34-I233 HydrophobicContact CG-CG2 4.01Å; Y230-I233 PolarHBondContact O-N 3.29Å; Y230-I233 VanDerWaalsContact O-N 3.14Å; G231-I233 PolarHBondContact O-N 3.45Å; G231-I233 VanDerWaalsContact O-N 3.09Å; I233-A237 VanDerWaalsContact O-CB 3.24Å; I233-A237 WeakPolarHBondContact O-CB 3.17Å; I233-A237 PolarHBondContact O-N 3.05Å |
| 234 | T | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -74 | -43 | -176.7 | -36.4 | 0 | 0 | 0 | 0 | 111.8 | A33 V38 K171 V227 G229 Y230 A237 V238 | A33-T234 HydrophobicContact CB-CG2 3.71Å; A33-T234 WeakPolarHBondContact O-CB 3.17Å; A33-T234 PolarHBondContact O-OG1 2.98Å; V38-T234 HydrophobicContact CG2-CG2 3.81Å; K171-T234 HydrophobicContact CG-CG2 3.86Å; V227-T234 HydrophobicContact CB-CG2 4.34Å; V227-T234 HydrophobicContact CG2-CG2 4.3Å; V227-T234 WeakPolarHBondContact O-CG2 3.23Å; G229-T234 VanDerWaalsContact CA-OG1 3.26Å; G229-T234 WeakPolarHBondContact CA-OG1 3.35Å; Y230-T234 PolarHBondContact N-OG1 2.87Å; Y230-T234 WeakPolarHBondContact O-CB 3.35Å; Y230-T234 PolarHBondContact O-N 2.94Å; Y230-T234 PolarHBondContact O-OG1 3.12Å; T234-A237 PolarHBondContact O-N 3.37Å; T234-V238 WeakPolarHBondContact O-CG2 3.29Å; T234-V238 PolarHBondContact O-N 3.25Å |
| 235 | G | 98.3 | Very high | 98.3 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -66.6 | -43.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y230 G231 V238 A239 | Y230-G235 PolarHBondContact O-N 3.47Å; G231-G235 CarbonylContact O-C 3.55Å; G231-G235 WeakPolarHBondContact O-CA 3.5Å; G231-G235 PolarHBondContact O-N 3.3Å; G235-V238 PolarHBondContact O-N 3.07Å; G235-A239 PolarHBondContact O-N 2.78Å |
| 236 | E | 98.1 | Very high | 98.3 | Very high | 117 Ų | 117 | 40 Ų | 40 | 55% | 0.547 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 172.1 | -174.8 | 173.2 | -143 | 0 | 0 | 111.2 | G231 V238 A239 C240 | G231-E236 PolarHBondContact O-N 2.9Å; E236-V238 VanDerWaalsContact C-N 3.3Å; E236-V238 PolarHBondContact O-N 3.48Å; E236-A239 PolarHBondContact O-N 3.14Å; E236-A239 VanDerWaalsContact O-N 3.11Å; E236-C240 WeakPolarHBondContact O-CB 3.35Å; E236-C240 PolarHBondContact O-N 3.41Å; E236-C240 PolarHBondContact O-SG 3Å; E236-C240 VanDerWaalsContact O-SG 3.38Å |
| 237 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.8 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q35 V38 I233 T234 H241 | Q35-A237 VanDerWaalsContact OE1-CB 3.23Å; V38-A237 HydrophobicContact CB-CB 4.13Å; V38-A237 HydrophobicContact CG1-CB 4.2Å; V38-A237 HydrophobicContact CG2-CB 3.96Å; I233-A237 VanDerWaalsContact O-CB 3.24Å; I233-A237 WeakPolarHBondContact O-CB 3.17Å; I233-A237 PolarHBondContact O-N 3.05Å; T234-A237 PolarHBondContact O-N 3.37Å; A237-H241 VanDerWaalsContact O-CB 3.29Å; A237-H241 WeakPolarHBondContact O-CB 3.31Å; A237-H241 PolarHBondContact O-N 2.87Å |
| 238 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | V38 I144 V169 T234 G235 E236 | V38-V238 HydrophobicContact CG1-CG2 3.78Å; V38-V238 HydrophobicContact CG2-CG2 4.08Å; I144-V238 HydrophobicContact CD1-CG1 4.47Å; I144-V238 HydrophobicContact CG1-CG1 4.45Å; V169-V238 HydrophobicContact CG1-CG2 4.3Å; T234-V238 WeakPolarHBondContact O-CG2 3.29Å; T234-V238 PolarHBondContact O-N 3.25Å; G235-V238 PolarHBondContact O-N 3.07Å; E236-V238 VanDerWaalsContact C-N 3.3Å; E236-V238 PolarHBondContact O-N 3.48Å |
| 239 | A | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.2 | -38.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G235 E236 I259 A262 K269 | G235-A239 PolarHBondContact O-N 2.78Å; E236-A239 PolarHBondContact O-N 3.14Å; E236-A239 VanDerWaalsContact O-N 3.11Å; A239-I259 HydrophobicContact CB-CD1 3.77Å; A239-A262 HydrophobicContact CB-CB 3.91Å; A239-K269 WeakPolarHBondContact O-CE 3.13Å; A239-K269 PolarHBondContact O-NZ 3.34Å |
| 240 | C | 98.3 | Very high | 98.3 | Very high | 26 Ų | 26 | 41 Ų | 41 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -82.5 | -17.2 | -179.1 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | E236 R242 H266 | E236-C240 WeakPolarHBondContact O-CB 3.35Å; E236-C240 PolarHBondContact O-N 3.41Å; E236-C240 PolarHBondContact O-SG 3Å; E236-C240 VanDerWaalsContact O-SG 3.38Å; C240-R242 PolarHBondContact O-N 3.35Å; C240-H266 WeakPolarHBondContact O-CB 3.42Å; C240-H266 PolarHBondContact SG-CD2 3.24Å |
| 241 | H | 98.5 | Very high | 98.3 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 11% | 0.111 | 20% | 0.197 | C | C | . | . | trans | -62.3 | 119.7 | -174.6 | -162.5 | -78.5 | 0 | 0 | 0 | 112.8 | D39 V42 A237 Q243 V244 K269 | D39-H241 IonicContact OD1-CD2 2.85Å; D39-H241 PolarHBondContact OD1-CD2 3.17Å; D39-H241 IonicContact OD1-NE2 3.36Å; D39-H241 PolarHBondContact OD1-NE2 2.98Å; V42-H241 WeakPolarHBondContact CG1-CE1 3.32Å; V42-H241 WeakPolarHBondContact CG1-ND1 3.41Å; A237-H241 VanDerWaalsContact O-CB 3.29Å; A237-H241 WeakPolarHBondContact O-CB 3.31Å; A237-H241 PolarHBondContact O-N 2.87Å; H241-Q243 PolarHBondContact ND1-N 3.39Å; H241-Q243 VanDerWaalsContact ND1-N 3.14Å; H241-Q243 PolarHBondContact O-N 3.41Å; H241-Q243 VanDerWaalsContact O-N 3.15Å; H241-V244 HydrophobicContact CB-CG2 3.89Å; H241-V244 PolarHBondContact O-N 3.17Å; H241-K269 WeakPolarHBondContact O-CE 3.4Å; H241-K269 PolarHBondContact O-NZ 3.47Å | ||
| 242 | R | 97 | Very high | 98.3 | Very high | 215 Ų | 215 | 38.8 Ų | 38.8 | 81% | 0.811 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -23.4 | -174.5 | -69 | -174.1 | 177.5 | -166.1 | -1.3 | 114.7 | C240 V244 | C240-R242 PolarHBondContact O-N 3.35Å; R242-V244 VanDerWaalsContact C-N 3.35Å |
| 243 | Q | 97.6 | Very high | 98.3 | Very high | 103 Ų | 103 | 34.7 Ų | 34.7 | 48% | 0.481 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 32.9 | 174.3 | -51 | -180 | -34.7 | 0 | 0 | 112 | V42 R46 H241 | V42-Q243 HydrophobicContact CG1-CB 3.79Å; V42-Q243 WeakPolarHBondContact CG1-O 3.43Å; R46-Q243 HydrophobicContact CG-CB 4.24Å; R46-Q243 PolarHBondContact NE-O 2.95Å; R46-Q243 PolarHBondContact NH2-O 3.02Å; H241-Q243 PolarHBondContact ND1-N 3.39Å; H241-Q243 VanDerWaalsContact ND1-N 3.14Å; H241-Q243 PolarHBondContact O-N 3.41Å; H241-Q243 VanDerWaalsContact O-N 3.15Å |
| 244 | V | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | trans | -111.2 | 125.2 | 162.8 | 169.8 | 0 | 0 | 0 | 0 | 106.7 | V42 V140 H241 R242 K246 V247 K269 | V42-V244 HydrophobicContact CG1-CG2 4.37Å; V42-V244 HydrophobicContact CG2-CG2 3.83Å; V140-V244 HydrophobicContact CG1-CG2 4.29Å; H241-V244 HydrophobicContact CB-CG2 3.89Å; H241-V244 PolarHBondContact O-N 3.17Å; R242-V244 VanDerWaalsContact C-N 3.35Å; V244-K246 WeakPolarHBondContact CG1-O 3.24Å; V244-V247 HydrophobicContact CG1-CG2 4Å; V244-K269 HydrophobicContact CB-CD 4.25Å; V244-K269 HydrophobicContact CG1-CD 4.22Å; V244-K269 WeakPolarHBondContact O-CD 3.37Å; V244-K269 WeakPolarHBondContact O-CE 3.33Å; V244-K269 WeakPolarHBondContact O-CG 3.48Å | ||
| 245 | D | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 41 Ų | 41 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | trans | -86.9 | -28.3 | -176.5 | -53.2 | -49.3 | 0 | 0 | 0 | 112.1 | R46 V138 G139 V140 R270 | R46-D245 IonicContact CZ-OD1 3.7Å; R46-D245 IonicContact CZ-OD2 2.64Å; R46-D245 IonicContact NH1-OD1 3.71Å; R46-D245 PolarHBondContact NH1-OD1 2.65Å; R46-D245 IonicContact NH1-OD2 2.8Å; R46-D245 PolarHBondContact NH1-OD2 2.82Å; R46-D245 IonicContact NH2-OD1 2.71Å; R46-D245 PolarHBondContact NH2-OD1 3.5Å; R46-D245 IonicContact NH2-OD2 3.64Å; R46-D245 PolarHBondContact NH2-OD2 3.41Å; V138-D245 HydrophobicContact CG1-CB 3.74Å; G139-D245 WeakPolarHBondContact CA-OD2 3.49Å; V140-D245 PolarHBondContact N-OD2 3.21Å; V140-D245 PolarHBondContact O-N 3.3Å; D245-R270 PolarHBondContact O-N 3.43Å | ||
| 246 | K | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 142 | -178.5 | 169.6 | 170.5 | 173.9 | 58.5 | 0 | 111.1 | V138 V140 C141 G142 V244 R270 S272 S490 Y491 | V138-K246 HydrophobicContact CG1-CB 4.05Å; V138-K246 HydrophobicContact CG2-CD 4.4Å; V140-K246 PolarHBondContact O-N 2.78Å; C141-K246 CarbonylContact C-O 3.39Å; C141-K246 VanDerWaalsContact CA-O 3.32Å; C141-K246 WeakPolarHBondContact CA-O 3.35Å; G142-K246 PolarHBondContact N-O 3.36Å; V244-K246 WeakPolarHBondContact CG1-O 3.24Å; K246-R270 CarbonylContact C-O 3.4Å; K246-R270 WeakPolarHBondContact CA-O 3.24Å; K246-R270 HydrophobicContact CB-CB 4.03Å; K246-R270 HydrophobicContact CG-CB 4.21Å; K246-S272 PolarHBondContact NZ-OG 3.1Å; K246-S490 WeakPolarHBondContact CD-O 3.06Å; K246-S490 WeakPolarHBondContact CE-O 3.38Å; K246-Y491 HydrophobicContact CD-CD1 4.04Å; K246-Y491 HydrophobicContact CD-CE1 4.08Å |
| 247 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139 | 163.4 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | G142 I144 V244 I259 K269 R270 L271 S272 | G142-V247 CarbonylContact O-C 3.51Å; G142-V247 VanDerWaalsContact O-CA 3.29Å; G142-V247 WeakPolarHBondContact O-CA 3.41Å; I144-V247 HydrophobicContact CD1-CG1 4.35Å; V244-V247 HydrophobicContact CG1-CG2 4Å; V247-I259 HydrophobicContact CG1-CG2 3.8Å; V247-K269 HydrophobicContact CG2-CD 4.14Å; V247-R270 PolarHBondContact N-O 2.8Å; V247-L271 HydrophobicContact CB-CD1 3.96Å; V247-L271 HydrophobicContact CG1-CD1 4.18Å; V247-L271 WeakPolarHBondContact O-CA 3.39Å; V247-L271 WeakPolarHBondContact O-CD1 3.33Å; V247-S272 PolarHBondContact O-N 2.99Å; V247-S272 VanDerWaalsContact O-N 3.13Å |
| 248 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 115.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108 | G142 I144 K157 Y491 | G142-A248 PolarHBondContact O-N 2.85Å; I144-A248 PolarHBondContact N-O 3.02Å; K157-A248 HydrophobicContact CD-CB 4.24Å; A248-Y491 WeakPolarHBondContact CB-OH 3.3Å |
| 249 | F | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 6% | 0.057 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.7 | -175.2 | 171.1 | -94.2 | 0 | 0 | 0 | 110.2 | I144 V255 I259 S272 L273 E274 L275 | I144-F249 HydrophobicContact CB-CD2 3.87Å; I144-F249 HydrophobicContact CD1-CD2 4.46Å; I144-F249 HydrophobicContact CG2-CD2 3.66Å; I144-F249 HydrophobicContact CG2-CE2 4Å; F249-V255 HydrophobicContact CE1-CB 4.38Å; F249-V255 HydrophobicContact CE1-CG1 4.28Å; F249-V255 HydrophobicContact CE2-CB 4.46Å; F249-V255 HydrophobicContact CE2-CG1 3.65Å; F249-V255 HydrophobicContact CZ-CB 3.74Å; F249-V255 HydrophobicContact CZ-CG1 3.41Å; F249-V255 VanDerWaalsContact CZ-CG1 3.41Å; F249-I259 HydrophobicContact CB-CG1 4.49Å; F249-I259 HydrophobicContact CB-CG2 4.28Å; F249-I259 HydrophobicContact CD2-CD1 4.46Å; F249-I259 HydrophobicContact CD2-CG1 3.97Å; F249-I259 HydrophobicContact CE2-CG1 4.36Å; F249-I259 HydrophobicContact CG-CG1 4.09Å; F249-S272 PolarHBondContact N-O 3.35Å; F249-L273 HydrophobicContact CB-CD2 3.91Å; F249-L273 HydrophobicContact CD1-CD2 3.99Å; F249-L273 HydrophobicContact CG-CD2 4.39Å; F249-L273 WeakPolarHBondContact O-CA 2.99Å; F249-E274 PolarHBondContact O-N 2.94Å; F249-L275 HydrophobicContact CD1-CD2 3.82Å; F249-L275 HydrophobicContact CE1-CD2 3.72Å |
| 250 | T | 98.8 | Very high | 98.3 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.6 | 164.4 | -55.8 | 0 | 0 | 0 | 0 | 109.2 | I144 P146 M153 K157 E274 | I144-T250 PolarHBondContact O-N 3.4Å; P146-T250 WeakPolarHBondContact CD-O 3.31Å; P146-T250 HydrophobicContact CG-CG2 3.82Å; M153-T250 HydrophobicContact SD-CG2 4.06Å; K157-T250 VanDerWaalsContact CE-OG1 3.28Å; K157-T250 WeakPolarHBondContact CE-OG1 3.33Å; K157-T250 PolarHBondContact NZ-OG1 3.18Å; T250-E274 WeakPolarHBondContact CA-O 3.42Å; T250-E274 HydrophobicContact CG2-CB 3.9Å; T250-E274 WeakPolarHBondContact CG2-O 3.29Å; T250-E274 WeakPolarHBondContact OG1-CB 3.37Å |
| 251 | G | 98.3 | Very high | 98.3 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 165.2 | -152.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E274 L275 G276 | G251-E274 PolarHBondContact N-O 3.1Å; G251-E274 VanDerWaalsContact N-O 3.12Å; G251-L275 VanDerWaalsContact O-CA 3.29Å; G251-L275 WeakPolarHBondContact O-CA 3.45Å; G251-G276 PolarHBondContact O-N 3.43Å |
| 252 | S | 97.7 | Very high | 98.2 | Very high | 49 Ų | 49 | 53.1 Ų | 53.1 | 34% | 0.343 | 27% | 0.267 | S | S | . | . | trans | -73.2 | 151.5 | -177.4 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | E254 V255 G256 | S252-E254 PolarHBondContact O-N 3.33Å; S252-V255 PolarHBondContact O-N 2.93Å; S252-V255 WeakPolarHBondContact OG-CG2 3.33Å; S252-V255 PolarHBondContact OG-N 3.42Å; S252-G256 PolarHBondContact O-N 2.93Å | ||
| 253 | T | 98 | Very high | 98.3 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -32 | 175.3 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | K257 L275 Y431 M476 | T253-K257 WeakPolarHBondContact O-CG 3.38Å; T253-K257 PolarHBondContact O-N 3.14Å; T253-L275 HydrophobicContact CG2-CD1 4.37Å; T253-Y431 WeakPolarHBondContact OG1-CE1 3.29Å; T253-M476 HydrophobicContact CG2-CB 4.06Å; T253-M476 HydrophobicContact CG2-CE 3.91Å; T253-M476 PolarHBondContact OG1-O 3.47Å |
| 254 | E | 97.5 | Very high | 98.3 | Very high | 150 Ų | 150 | 39.8 Ų | 39.8 | 70% | 0.701 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.5 | -52.3 | 175.3 | -175.5 | -179.3 | 178.5 | 0 | 0 | 111.6 | S252 G256 K257 L258 | S252-E254 PolarHBondContact O-N 3.33Å; E254-G256 VanDerWaalsContact C-N 3.33Å; E254-G256 PolarHBondContact O-N 2.72Å; E254-K257 WeakPolarHBondContact O-CB 3.21Å; E254-K257 PolarHBondContact O-N 3.5Å; E254-L258 PolarHBondContact O-N 2.91Å |
| 255 | V | 98.4 | Very high | 98.2 | Very high | 57 Ų | 57 | 46.3 Ų | 46.3 | 35% | 0.345 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.2 | -35.6 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | F249 S252 K257 L258 I259 | F249-V255 HydrophobicContact CE1-CB 4.38Å; F249-V255 HydrophobicContact CE1-CG1 4.28Å; F249-V255 HydrophobicContact CE2-CB 4.46Å; F249-V255 HydrophobicContact CE2-CG1 3.65Å; F249-V255 HydrophobicContact CZ-CB 3.74Å; F249-V255 HydrophobicContact CZ-CG1 3.41Å; F249-V255 VanDerWaalsContact CZ-CG1 3.41Å; S252-V255 PolarHBondContact O-N 2.93Å; S252-V255 WeakPolarHBondContact OG-CG2 3.33Å; S252-V255 PolarHBondContact OG-N 3.42Å; V255-K257 PolarHBondContact O-N 2.77Å; V255-L258 WeakPolarHBondContact O-CB 3.2Å; V255-L258 PolarHBondContact O-N 2.98Å; V255-I259 HydrophobicContact CG1-CG1 4.23Å; V255-I259 WeakPolarHBondContact O-CG1 3.39Å; V255-I259 PolarHBondContact O-N 2.98Å |
| 256 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.5 | -37.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S252 E254 M260 | S252-G256 PolarHBondContact O-N 2.93Å; E254-G256 VanDerWaalsContact C-N 3.33Å; E254-G256 PolarHBondContact O-N 2.72Å; G256-M260 WeakPolarHBondContact O-CB 3.18Å; G256-M260 PolarHBondContact O-N 3.29Å |
| 257 | K | 98.3 | Very high | 97.8 | Very high | 117 Ų | 117 | 49.6 Ų | 49.6 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 173.3 | -69.4 | 171.7 | -177.9 | 178.1 | 0 | 112 | T253 E254 V255 M260 T261 | T253-K257 WeakPolarHBondContact O-CG 3.38Å; T253-K257 PolarHBondContact O-N 3.14Å; E254-K257 WeakPolarHBondContact O-CB 3.21Å; E254-K257 PolarHBondContact O-N 3.5Å; V255-K257 PolarHBondContact O-N 2.77Å; K257-M260 WeakPolarHBondContact O-CB 3.38Å; K257-M260 PolarHBondContact O-N 3.22Å; K257-T261 PolarHBondContact O-N 3.46Å; K257-T261 PolarHBondContact O-OG1 3.22Å |
| 258 | L | 98.4 | Very high | 97.7 | Very high | 113 Ų | 113 | 56.7 Ų | 56.7 | 59% | 0.592 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 176.8 | -59.3 | 177.6 | 0 | 0 | 0 | 111.3 | E254 V255 M260 T261 A262 | E254-L258 PolarHBondContact O-N 2.91Å; V255-L258 WeakPolarHBondContact O-CB 3.2Å; V255-L258 PolarHBondContact O-N 2.98Å; L258-M260 VanDerWaalsContact C-N 3.32Å; L258-M260 PolarHBondContact O-N 3.4Å; L258-T261 PolarHBondContact O-N 3.35Å; L258-A262 WeakPolarHBondContact O-CB 3.28Å; L258-A262 PolarHBondContact O-N 3.15Å |
| 259 | I | 98.4 | Very high | 97.7 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | 174.9 | -63.7 | -64.5 | 0 | 0 | 0 | 111.1 | I144 A239 V247 F249 V255 A262 C263 L271 L273 | I144-I259 HydrophobicContact CD1-CD1 3.86Å; A239-I259 HydrophobicContact CB-CD1 3.77Å; V247-I259 HydrophobicContact CG1-CG2 3.8Å; F249-I259 HydrophobicContact CB-CG1 4.49Å; F249-I259 HydrophobicContact CB-CG2 4.28Å; F249-I259 HydrophobicContact CD2-CD1 4.46Å; F249-I259 HydrophobicContact CD2-CG1 3.97Å; F249-I259 HydrophobicContact CE2-CG1 4.36Å; F249-I259 HydrophobicContact CG-CG1 4.09Å; V255-I259 HydrophobicContact CG1-CG1 4.23Å; V255-I259 WeakPolarHBondContact O-CG1 3.39Å; V255-I259 PolarHBondContact O-N 2.98Å; I259-A262 PolarHBondContact O-N 3.36Å; I259-C263 WeakPolarHBondContact O-CB 3.29Å; I259-C263 PolarHBondContact O-N 3.42Å; I259-C263 PolarHBondContact O-SG 3.36Å; I259-L271 HydrophobicContact CG2-CD1 3.83Å; I259-L271 HydrophobicContact CG2-CD2 4.48Å; I259-L273 HydrophobicContact CG2-CD2 4.42Å |
| 260 | M | 98 | Very high | 97.6 | Very high | 103 Ų | 103 | 60.5 Ų | 60.5 | 51% | 0.507 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 177.1 | -174.3 | 173.9 | 179.6 | 0 | 0 | 112.2 | G256 K257 L258 C263 G264 L271 F479 | G256-M260 WeakPolarHBondContact O-CB 3.18Å; G256-M260 PolarHBondContact O-N 3.29Å; K257-M260 WeakPolarHBondContact O-CB 3.38Å; K257-M260 PolarHBondContact O-N 3.22Å; L258-M260 VanDerWaalsContact C-N 3.32Å; L258-M260 PolarHBondContact O-N 3.4Å; M260-C263 PolarHBondContact O-N 3.45Å; M260-G264 PolarHBondContact O-N 2.92Å; M260-L271 HydrophobicContact CB-CD2 3.76Å; M260-L271 HydrophobicContact CG-CD2 4Å; M260-F479 HydrophobicContact SD-CE1 4.09Å; M260-F479 HydrophobicContact SD-CZ 4.45Å |
| 261 | T | 98.2 | Very high | 97.6 | Very high | 74 Ų | 74 | 61.2 Ų | 61.2 | 45% | 0.454 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.1 | -51.7 | 174.1 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | K257 L258 C263 G264 E265 | K257-T261 PolarHBondContact O-N 3.46Å; K257-T261 PolarHBondContact O-OG1 3.22Å; L258-T261 PolarHBondContact O-N 3.35Å; T261-C263 VanDerWaalsContact C-N 3.34Å; T261-C263 PolarHBondContact O-N 3.26Å; T261-G264 PolarHBondContact O-N 3.36Å; T261-G264 VanDerWaalsContact O-N 3.1Å; T261-E265 HydrophobicContact CG2-CG 4.25Å; T261-E265 WeakPolarHBondContact CG2-OE1 3.17Å; T261-E265 WeakPolarHBondContact O-CG 3.26Å; T261-E265 PolarHBondContact O-N 2.97Å |
| 262 | A | 98 | Very high | 97.6 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A239 L258 I259 G264 H266 | A239-A262 HydrophobicContact CB-CB 3.91Å; L258-A262 WeakPolarHBondContact O-CB 3.28Å; L258-A262 PolarHBondContact O-N 3.15Å; I259-A262 PolarHBondContact O-N 3.36Å; A262-G264 VanDerWaalsContact C-N 3.34Å; A262-G264 PolarHBondContact O-N 3.39Å; A262-H266 WeakPolarHBondContact O-CB 3.19Å; A262-H266 PolarHBondContact O-CD2 2.83Å; A262-H266 VanDerWaalsContact O-CD2 3.31Å; A262-H266 PolarHBondContact O-N 2.95Å |
| 263 | C | 97.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -40 | 176.5 | -71.6 | 0 | 0 | 0 | 0 | 112.1 | I259 M260 T261 L268 K269 L271 | I259-C263 WeakPolarHBondContact O-CB 3.29Å; I259-C263 PolarHBondContact O-N 3.42Å; I259-C263 PolarHBondContact O-SG 3.36Å; M260-C263 PolarHBondContact O-N 3.45Å; T261-C263 VanDerWaalsContact C-N 3.34Å; T261-C263 PolarHBondContact O-N 3.26Å; C263-L268 WeakPolarHBondContact O-CA 3.34Å; C263-L268 PolarHBondContact O-N 2.96Å; C263-K269 HydrophobicContact CB-CB 4.08Å; C263-K269 PolarHBondContact O-N 2.74Å; C263-K269 VanDerWaalsContact O-N 3.13Å; C263-L271 HydrophobicContact CB-CD2 4.41Å |
| 264 | G | 97.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 58 Ų | 58 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.9 | -52.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M260 T261 A262 H266 L268 | M260-G264 PolarHBondContact O-N 2.92Å; T261-G264 PolarHBondContact O-N 3.36Å; T261-G264 VanDerWaalsContact O-N 3.1Å; A262-G264 VanDerWaalsContact C-N 3.34Å; A262-G264 PolarHBondContact O-N 3.39Å; G264-H266 PolarHBondContact O-N 3.23Å; G264-L268 PolarHBondContact O-N 2.73Å |
| 265 | E | 97.4 | Very high | 97.7 | Very high | 140 Ų | 140 | 51.3 Ų | 51.3 | 65% | 0.654 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.9 | -35.4 | -175.8 | -70.2 | -179.1 | 170.6 | 0 | 0 | 113.2 | T261 | T261-E265 HydrophobicContact CG2-CG 4.25Å; T261-E265 WeakPolarHBondContact CG2-OE1 3.17Å; T261-E265 WeakPolarHBondContact O-CG 3.26Å; T261-E265 PolarHBondContact O-N 2.97Å |
| 266 | H | 96.2 | Very high | 97.5 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 22.7 | -170.9 | -60.4 | -77.4 | 0 | 0 | 0 | 114.8 | C240 A262 G264 K269 | C240-H266 WeakPolarHBondContact O-CB 3.42Å; C240-H266 PolarHBondContact SG-CD2 3.24Å; A262-H266 WeakPolarHBondContact O-CB 3.19Å; A262-H266 PolarHBondContact O-CD2 2.83Å; A262-H266 VanDerWaalsContact O-CD2 3.31Å; A262-H266 PolarHBondContact O-N 2.95Å; G264-H266 PolarHBondContact O-N 3.23Å; H266-K269 PolarHBondContact O-NZ 3.01Å |
| 267 | G | 92.9 | Very high | 97.5 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 59% | 0.588 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 148.3 | 11.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | K269 | G267-K269 PolarHBondContact O-N 3.35Š|
| 268 | L | 96.6 | Very high | 97.5 | Very high | 150 Ų | 150 | 43.4 Ų | 43.4 | 79% | 0.785 | 24% | 0.242 | S | C | * | . | trans | 48 | 44.8 | -173.7 | -62.1 | 177.3 | 0 | 0 | 0 | 111.9 | C263 G264 | C263-L268 WeakPolarHBondContact O-CA 3.34Å; C263-L268 PolarHBondContact O-N 2.96Å; G264-L268 PolarHBondContact O-N 2.73Å | ||
| 269 | K | 97.8 | Very high | 97.5 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | trans | -63.1 | 147.4 | -175.3 | -55 | -177.5 | 176.8 | 77.9 | 0 | 110 | A239 H241 V244 V247 C263 H266 G267 | A239-K269 WeakPolarHBondContact O-CE 3.13Å; A239-K269 PolarHBondContact O-NZ 3.34Å; H241-K269 WeakPolarHBondContact O-CE 3.4Å; H241-K269 PolarHBondContact O-NZ 3.47Å; V244-K269 HydrophobicContact CB-CD 4.25Å; V244-K269 HydrophobicContact CG1-CD 4.22Å; V244-K269 WeakPolarHBondContact O-CD 3.37Å; V244-K269 WeakPolarHBondContact O-CE 3.33Å; V244-K269 WeakPolarHBondContact O-CG 3.48Å; V247-K269 HydrophobicContact CG2-CD 4.14Å; C263-K269 HydrophobicContact CB-CB 4.08Å; C263-K269 PolarHBondContact O-N 2.74Å; C263-K269 VanDerWaalsContact O-N 3.13Å; H266-K269 PolarHBondContact O-NZ 3.01Å; G267-K269 PolarHBondContact O-N 3.35Å | ||
| 270 | R | 97.5 | Very high | 97.5 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 142 | 168.4 | -75 | 150.4 | 159.5 | -121.2 | -21.3 | 109.4 | D245 K246 V247 T492 E493 | D245-R270 PolarHBondContact O-N 3.43Å; K246-R270 CarbonylContact C-O 3.4Å; K246-R270 WeakPolarHBondContact CA-O 3.24Å; K246-R270 HydrophobicContact CB-CB 4.03Å; K246-R270 HydrophobicContact CG-CB 4.21Å; V247-R270 PolarHBondContact N-O 2.8Å; R270-T492 PolarHBondContact NH1-O 2.84Å; R270-T492 PolarHBondContact NH2-O 3.13Å; R270-E493 IonicContact CZ-OE1 3.66Å; R270-E493 IonicContact CZ-OE2 2.86Å; R270-E493 IonicContact NE-OE2 3.03Å; R270-E493 PolarHBondContact NE-OE2 2.88Å; R270-E493 IonicContact NH1-OE2 2.7Å; R270-E493 IonicContact NH2-OE1 3.71Å; R270-E493 PolarHBondContact NH2-OE1 3.41Å; R270-E493 IonicContact NH2-OE2 3.59Å; R270-E493 PolarHBondContact NH2-OE2 3.49Å |
| 271 | L | 98 | Very high | 97.5 | Very high | 26 Ų | 26 | 33 Ų | 33 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.1 | -175.1 | -175.7 | 54.8 | 0 | 0 | 0 | 110 | V247 I259 M260 C263 L273 F479 | V247-L271 HydrophobicContact CB-CD1 3.96Å; V247-L271 HydrophobicContact CG1-CD1 4.18Å; V247-L271 WeakPolarHBondContact O-CA 3.39Å; V247-L271 WeakPolarHBondContact O-CD1 3.33Å; I259-L271 HydrophobicContact CG2-CD1 3.83Å; I259-L271 HydrophobicContact CG2-CD2 4.48Å; M260-L271 HydrophobicContact CB-CD2 3.76Å; M260-L271 HydrophobicContact CG-CD2 4Å; C263-L271 HydrophobicContact CB-CD2 4.41Å; L271-L273 HydrophobicContact CD1-CD2 3.6Å; L271-L273 HydrophobicContact CD1-CG 4.16Å; L271-L273 HydrophobicContact CD2-CD1 4.09Å; L271-L273 HydrophobicContact CD2-CD2 3.98Å; L271-L273 HydrophobicContact CD2-CG 4.01Å; L271-L273 HydrophobicContact CG-CD1 4.45Å; L271-L273 HydrophobicContact CG-CD2 3.84Å; L271-L273 HydrophobicContact CG-CG 3.84Å; L271-F479 HydrophobicContact CB-CE2 4.04Å; L271-F479 HydrophobicContact CB-CZ 4.06Å; L271-F479 HydrophobicContact CD2-CZ 3.84Å; L271-F479 HydrophobicContact CG-CE2 4.17Å; L271-F479 HydrophobicContact CG-CZ 3.84Å; L271-F479 VanDerWaalsContact O-CE2 3.28Å; L271-F479 WeakPolarHBondContact O-CE2 3.36Å |
| 272 | S | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.4 | 161.6 | 54.5 | 0 | 0 | 0 | 0 | 108.1 | K246 V247 F249 F479 | K246-S272 PolarHBondContact NZ-OG 3.1Å; V247-S272 PolarHBondContact O-N 2.99Å; V247-S272 VanDerWaalsContact O-N 3.13Å; F249-S272 PolarHBondContact N-O 3.35Å; S272-F479 WeakPolarHBondContact CA-O 3.04Å |
| 273 | L | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125 | -177.3 | -63.3 | -177.9 | 0 | 0 | 0 | 108.6 | F249 I259 L271 L275 G478 F479 | F249-L273 HydrophobicContact CB-CD2 3.91Å; F249-L273 HydrophobicContact CD1-CD2 3.99Å; F249-L273 HydrophobicContact CG-CD2 4.39Å; F249-L273 WeakPolarHBondContact O-CA 2.99Å; I259-L273 HydrophobicContact CG2-CD2 4.42Å; L271-L273 HydrophobicContact CD1-CD2 3.6Å; L271-L273 HydrophobicContact CD1-CG 4.16Å; L271-L273 HydrophobicContact CD2-CD1 4.09Å; L271-L273 HydrophobicContact CD2-CD2 3.98Å; L271-L273 HydrophobicContact CD2-CG 4.01Å; L271-L273 HydrophobicContact CG-CD1 4.45Å; L271-L273 HydrophobicContact CG-CD2 3.84Å; L271-L273 HydrophobicContact CG-CG 3.84Å; L273-L275 HydrophobicContact CB-CD1 4.1Å; L273-L275 HydrophobicContact CB-CD2 4.08Å; L273-L275 HydrophobicContact CB-CG 3.95Å; L273-L275 HydrophobicContact CD1-CD1 4.13Å; L273-G478 CarbonylContact O-C 3.41Å; L273-G478 WeakPolarHBondContact O-CA 3.29Å; L273-F479 HydrophobicContact CB-CE1 4.46Å; L273-F479 HydrophobicContact CD1-CD1 4.14Å; L273-F479 HydrophobicContact CD1-CE1 3.45Å; L273-F479 VanDerWaalsContact CD1-CE1 3.45Å; L273-F479 HydrophobicContact CD1-CZ 3.98Å; L273-F479 HydrophobicContact CG-CD1 4.47Å; L273-F479 HydrophobicContact CG-CE1 3.94Å; L273-F479 HydrophobicContact CG-CZ 4.12Å; L273-F479 PolarHBondContact N-O 3.36Å; L273-F479 PolarHBondContact O-N 3.16Å; L273-F479 VanDerWaalsContact O-N 3.07Å |
| 274 | E | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 29 Ų | 29 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 106.7 | 165.3 | -74.1 | -57.6 | 141.6 | 0 | 0 | 107.9 | F249 T250 G251 G472 E482 | F249-E274 PolarHBondContact O-N 2.94Å; T250-E274 WeakPolarHBondContact CA-O 3.42Å; T250-E274 HydrophobicContact CG2-CB 3.9Å; T250-E274 WeakPolarHBondContact CG2-O 3.29Å; T250-E274 WeakPolarHBondContact OG1-CB 3.37Å; G251-E274 PolarHBondContact N-O 3.1Å; G251-E274 VanDerWaalsContact N-O 3.12Å; E274-G472 VanDerWaalsContact CD-CA 3.43Å; E274-G472 WeakPolarHBondContact OE1-CA 2.83Å; E274-G472 WeakPolarHBondContact OE2-CA 3.19Å; E274-E482 HydrophobicContact CG-CG 3.88Å |
| 275 | L | 98.5 | Very high | 97.6 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | trans | -112.2 | -176.2 | -169.4 | -50.9 | 173.4 | 0 | 0 | 0 | 111 | F249 G251 T253 L273 M476 S477 | F249-L275 HydrophobicContact CD1-CD2 3.82Å; F249-L275 HydrophobicContact CE1-CD2 3.72Å; G251-L275 VanDerWaalsContact O-CA 3.29Å; G251-L275 WeakPolarHBondContact O-CA 3.45Å; T253-L275 HydrophobicContact CG2-CD1 4.37Å; L273-L275 HydrophobicContact CB-CD1 4.1Å; L273-L275 HydrophobicContact CB-CD2 4.08Å; L273-L275 HydrophobicContact CB-CG 3.95Å; L273-L275 HydrophobicContact CD1-CD1 4.13Å; L275-M476 WeakPolarHBondContact CD1-O 3.34Å; L275-S477 PolarHBondContact N-O 2.97Å | ||
| 276 | G | 95.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | trans | -61.8 | 171.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G251 E405 Y431 S477 | G251-G276 PolarHBondContact O-N 3.43Å; G276-E405 WeakPolarHBondContact CA-OE1 3.47Å; G276-E405 WeakPolarHBondContact CA-OE2 3.28Å; G276-Y431 WeakPolarHBondContact O-CD1 3.47Å; G276-S477 WeakPolarHBondContact O-CB 3.46Å; G276-S477 PolarHBondContact O-OG 3.44Å | ||
| 277 | G | 97.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | trans | -138.5 | 161.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C308 E405 | G277-C308 WeakPolarHBondContact CA-O 3.41Å; G277-C308 PolarHBondContact N-O 3.44Å; G277-E405 PolarHBondContact N-OE1 3.38Å; G277-E405 WeakPolarHBondContact O-CG 3.41Å | ||
| 278 | K | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | trans | -133.2 | 59.1 | 164.3 | -161.4 | 65.4 | 177 | 175.3 | 0 | 109.4 | R313 V401 A402 E404 Y431 | K278-R313 HydrophobicContact CD-CG 4.29Å; K278-R313 HydrophobicContact CG-CG 3.92Å; K278-R313 PolarHBondContact O-NE 3.48Å; K278-R313 PolarHBondContact O-NH2 3.42Å; K278-V401 WeakPolarHBondContact CE-O 3.41Å; K278-V401 PolarHBondContact NZ-O 2.9Å; K278-A402 VanDerWaalsContact CE-C 3.45Å; K278-A402 WeakPolarHBondContact CE-O 3.28Å; K278-A402 VanDerWaalsContact CG-O 3.32Å; K278-A402 WeakPolarHBondContact CG-O 3.18Å; K278-E404 WeakPolarHBondContact CD-O 2.99Å; K278-E404 VanDerWaalsContact CE-O 3.23Å; K278-E404 WeakPolarHBondContact CE-O 3.18Å; K278-E404 PolarHBondContact NZ-O 3.47Å; K278-Y431 HydrophobicContact CB-CD2 3.51Å; K278-Y431 HydrophobicContact CB-CE2 4.25Å; K278-Y431 HydrophobicContact CB-CG 4.19Å | ||
| 279 | S | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | trans | -64.5 | 123.6 | -164.6 | -74.1 | 0 | 0 | 0 | 0 | 112.5 | R313 A434 Y462 | S279-R313 PolarHBondContact O-N 3.24Å; S279-A434 WeakPolarHBondContact CA-O 3.39Å; S279-A434 WeakPolarHBondContact CB-O 3.34Å; S279-A434 PolarHBondContact OG-N 2.93Å; S279-A434 PolarHBondContact OG-O 2.98Å; S279-Y462 WeakPolarHBondContact CB-OH 3.32Å | ||
| 280 | P | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 20 Ų | 20 | 4% | 0.039 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 140.4 | 174 | 31.1 | -33.2 | 0 | 0 | 0 | 110.4 | I282 R313 F315 A426 A434 A435 G436 I452 | P280-I282 HydrophobicContact CB-CG1 4.38Å; P280-R313 CarbonylContact C-O 3.5Å; P280-R313 WeakPolarHBondContact CA-O 3.35Å; P280-F315 HydrophobicContact CB-CD2 3.9Å; P280-F315 HydrophobicContact CB-CE2 3.72Å; P280-A426 HydrophobicContact CB-CB 3.97Å; P280-A426 HydrophobicContact CG-CB 4.16Å; P280-A434 WeakPolarHBondContact CD-O 3.32Å; P280-A435 HydrophobicContact CG-CB 3.75Å; P280-A435 CarbonylContact O-C 3.58Å; P280-A435 VanDerWaalsContact O-CA 3.24Å; P280-A435 WeakPolarHBondContact O-CA 3.35Å; P280-G436 PolarHBondContact O-N 2.95Å; P280-I452 HydrophobicContact CG-CG2 4.24Å |
| 281 | N | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 110.5 | 171.2 | -172.3 | 8.2 | 0 | 0 | 0 | 108.8 | A296 R313 V314 F315 F438 Y462 | N281-A296 WeakPolarHBondContact ND2-CA 3.29Å; N281-A296 WeakPolarHBondContact ND2-CB 3.41Å; N281-R313 PolarHBondContact N-O 2.89Å; N281-V314 CarbonylContact O-C 3.59Å; N281-V314 VanDerWaalsContact O-CA 3.29Å; N281-V314 WeakPolarHBondContact O-CA 3.04Å; N281-F315 PolarHBondContact O-N 3.4Å; N281-F438 WeakPolarHBondContact OD1-CD2 3.45Å; N281-F438 WeakPolarHBondContact OD1-CE2 3.42Å; N281-Y462 HydrophobicContact CB-CE2 3.84Å |
| 282 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.8 | -161.8 | -60.5 | 170.7 | 0 | 0 | 0 | 109.7 | P280 F284 F315 F416 L422 A426 G436 V437 F438 V448 I452 | P280-I282 HydrophobicContact CB-CG1 4.38Å; I282-F284 HydrophobicContact CG2-CD2 4.16Å; I282-F284 HydrophobicContact CG2-CE2 3.65Å; I282-F284 HydrophobicContact CG2-CZ 4.13Å; I282-F315 CarbonylContact C-O 3.2Å; I282-F315 WeakPolarHBondContact CA-O 3.42Å; I282-F315 HydrophobicContact CG1-CB 4.33Å; I282-F315 HydrophobicContact CG1-CD2 4.44Å; I282-F416 HydrophobicContact CG2-CE1 4.3Å; I282-F416 HydrophobicContact CG2-CZ 4.41Å; I282-L422 HydrophobicContact CD1-CD1 4.07Å; I282-L422 HydrophobicContact CD1-CD2 4.4Å; I282-L422 HydrophobicContact CD1-CG 4.36Å; I282-L422 HydrophobicContact CG1-CD1 4.02Å; I282-L422 HydrophobicContact CG2-CD1 3.91Å; I282-L422 HydrophobicContact CG2-CD2 3.57Å; I282-L422 HydrophobicContact CG2-CG 4.3Å; I282-A426 HydrophobicContact CD1-CB 4.4Å; I282-G436 WeakPolarHBondContact CB-O 3.45Å; I282-G436 PolarHBondContact N-O 3.02Å; I282-V437 HydrophobicContact CB-CB 4.47Å; I282-V437 HydrophobicContact CB-CG2 4.43Å; I282-V437 HydrophobicContact CG2-CG2 4.35Å; I282-V437 CarbonylContact O-C 3.49Å; I282-V437 WeakPolarHBondContact O-CA 3.49Å; I282-F438 PolarHBondContact O-N 3.46Å; I282-V448 HydrophobicContact CD1-CG1 3.62Å; I282-I452 HydrophobicContact CD1-CD1 4.31Å; I282-I452 HydrophobicContact CD1-CG1 4.31Å |
| 283 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 108.9 | -174.8 | -41.7 | -62.1 | 0 | 0 | 0 | 109.7 | A287 A292 V314 F315 V316 E317 I320 F324 F438 | I283-A287 HydrophobicContact CG2-CB 4.5Å; I283-A292 HydrophobicContact CD1-CB 4.2Å; I283-A292 HydrophobicContact CG2-CB 3.79Å; I283-V314 HydrophobicContact CG1-CG1 4.07Å; I283-F315 PolarHBondContact N-O 3.06Å; I283-V316 HydrophobicContact CB-CG2 4.37Å; I283-V316 HydrophobicContact CG1-CG2 4.3Å; I283-E317 PolarHBondContact O-N 3.46Å; I283-I320 HydrophobicContact CG2-CD1 4.02Å; I283-F324 HydrophobicContact CB-CE2 4.43Å; I283-F324 HydrophobicContact CD1-CE2 4.43Å; I283-F324 HydrophobicContact CG1-CE2 3.82Å; I283-F324 HydrophobicContact CG1-CZ 4.25Å; I283-F324 HydrophobicContact CG2-CD2 4.3Å; I283-F324 HydrophobicContact CG2-CE2 4.21Å; I283-F438 HydrophobicContact CD1-CB 3.96Å; I283-F438 HydrophobicContact CD1-CD2 3.43Å; I283-F438 VanDerWaalsContact CD1-CD2 3.43Å; I283-F438 HydrophobicContact CD1-CE2 4.21Å; I283-F438 HydrophobicContact CD1-CG 3.85Å |
| 284 | F | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | trans | -83.7 | 155.6 | 173.2 | -71.1 | -84.3 | 0 | 0 | 0 | 111.9 | I282 D286 A287 E317 F416 M419 L422 V437 F438 T439 K444 V448 | I282-F284 HydrophobicContact CG2-CD2 4.16Å; I282-F284 HydrophobicContact CG2-CE2 3.65Å; I282-F284 HydrophobicContact CG2-CZ 4.13Å; F284-D286 VanDerWaalsContact CB-OD1 3.25Å; F284-D286 WeakPolarHBondContact CB-OD1 3.38Å; F284-D286 PolarHBondContact O-N 2.86Å; F284-A287 WeakPolarHBondContact O-CB 3.09Å; F284-A287 PolarHBondContact O-N 3.44Å; F284-A287 VanDerWaalsContact O-N 3.1Å; F284-E317 WeakPolarHBondContact CA-OE2 3.32Å; F284-E317 WeakPolarHBondContact CD1-OE2 3.41Å; F284-F416 AromaticContact CD1-CE2 3.98Å; F284-F416 HydrophobicContact CD1-CE2 3.98Å; F284-F416 AromaticContact CD1-CZ 3.78Å; F284-F416 HydrophobicContact CD1-CZ 3.78Å; F284-F416 AromaticContact CE1-CE2 3.69Å; F284-F416 HydrophobicContact CE1-CE2 3.69Å; F284-F416 AromaticContact CE1-CZ 3.77Å; F284-F416 HydrophobicContact CE1-CZ 3.77Å; F284-F416 HydrophobicContact CG-CZ 4.31Å; F284-F416 HydrophobicContact CZ-CE2 4.41Å; F284-F416 HydrophobicContact CZ-CZ 4.29Å; F284-M419 HydrophobicContact CE1-CE 3.57Å; F284-M419 HydrophobicContact CE1-SD 4.25Å; F284-M419 HydrophobicContact CE2-CE 4.27Å; F284-M419 HydrophobicContact CZ-CE 3.28Å; F284-M419 HydrophobicContact CZ-SD 3.71Å; F284-L422 HydrophobicContact CE1-CD2 4.13Å; F284-L422 HydrophobicContact CE2-CD2 4.3Å; F284-L422 HydrophobicContact CZ-CD2 3.54Å; F284-V437 HydrophobicContact CD2-CG2 4.07Å; F284-V437 HydrophobicContact CE2-CG2 3.74Å; F284-F438 PolarHBondContact N-O 3.32Å; F284-T439 HydrophobicContact CD2-CG2 4.31Å; F284-K444 HydrophobicContact CD1-CD 3.89Å; F284-K444 HydrophobicContact CE1-CD 4.09Å; F284-K444 HydrophobicContact CG-CD 4.14Å; F284-V448 HydrophobicContact CE2-CG2 3.99Å; F284-V448 HydrophobicContact CZ-CG2 3.99Å | ||
| 285 | A | 97.5 | Very high | 97.1 | Very high | 30 Ų | 30 | 25.5 Ų | 25.5 | 25% | 0.248 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A287 E317 S319 I320 | A285-A287 VanDerWaalsContact C-N 3.33Å; A285-E317 HydrophobicContact CB-CB 4.25Å; A285-E317 HydrophobicContact CB-CG 4.21Å; A285-E317 WeakPolarHBondContact CB-OE2 3.19Å; A285-E317 PolarHBondContact N-OE2 3.29Å; A285-S319 WeakPolarHBondContact CB-OG 3.45Å; A285-I320 HydrophobicContact CB-CG1 4.32Å; A285-I320 HydrophobicContact CB-CG2 3.97Å |
| 286 | D | 97.6 | Very high | 97.1 | Very high | 47 Ų | 47 | 25 Ų | 25 | 25% | 0.251 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -6.3 | 178.3 | 70.9 | -70.9 | 0 | 0 | 0 | 113.6 | F284 T439 K440 D441 K444 | F284-D286 VanDerWaalsContact CB-OD1 3.25Å; F284-D286 WeakPolarHBondContact CB-OD1 3.38Å; F284-D286 PolarHBondContact O-N 2.86Å; D286-T439 VanDerWaalsContact CG-OG1 3.27Å; D286-T439 PolarHBondContact OD1-OG1 2.81Å; D286-T439 PolarHBondContact OD2-OG1 3.09Å; D286-K440 WeakPolarHBondContact O-CD 3.41Å; D286-K440 VanDerWaalsContact O-CE 3.25Å; D286-K440 WeakPolarHBondContact O-CE 3.08Å; D286-K440 WeakPolarHBondContact O-CG 3.46Å; D286-K440 WeakPolarHBondContact OD2-CA 3.47Å; D286-K440 PolarHBondContact OD2-N 3.18Å; D286-D441 PolarHBondContact OD2-N 3.49Å; D286-D441 VanDerWaalsContact OD2-N 3.08Å; D286-K444 IonicContact OD1-NZ 2.7Å; D286-K444 PolarHBondContact OD1-NZ 3.07Å |
| 287 | A | 97.8 | Very high | 97.2 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -60.5 | 161.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | I283 F284 A285 V289 A292 F438 | I283-A287 HydrophobicContact CG2-CB 4.5Å; F284-A287 WeakPolarHBondContact O-CB 3.09Å; F284-A287 PolarHBondContact O-N 3.44Å; F284-A287 VanDerWaalsContact O-N 3.1Å; A285-A287 VanDerWaalsContact C-N 3.33Å; A287-V289 VanDerWaalsContact C-N 3.34Å; A287-V289 PolarHBondContact O-N 3.15Å; A287-A292 HydrophobicContact CB-CB 4.33Å; A287-F438 HydrophobicContact CB-CB 4.07Å |
| 288 | D | 95.5 | Very high | 97.1 | Very high | 91 Ų | 91 | 27.5 Ų | 27.5 | 49% | 0.487 | 15% | 0.152 | S | C | . | . | trans | -68.3 | 99.3 | 158.3 | -170 | -36.7 | 0 | 0 | 0 | 107.9 | D290 E291 A292 | D288-D290 VanDerWaalsContact C-N 3.29Å; D288-D290 PolarHBondContact O-N 3.29Å; D288-D290 PolarHBondContact OD1-N 3.1Å; D288-E291 HydrophobicContact CB-CB 4.09Å; D288-E291 PolarHBondContact O-N 3.15Å; D288-E291 PolarHBondContact OD1-N 3.42Å; D288-A292 WeakPolarHBondContact O-CB 3.46Å; D288-A292 PolarHBondContact O-N 3.21Å | ||
| 289 | V | 93.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 11% | 0.109 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | -169.9 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | A287 A292 I293 I320 K323 | A287-V289 VanDerWaalsContact C-N 3.34Å; A287-V289 PolarHBondContact O-N 3.15Å; V289-A292 PolarHBondContact O-N 3.45Å; V289-I293 HydrophobicContact CG1-CD1 3.75Å; V289-I293 HydrophobicContact CG1-CG1 4.42Å; V289-I293 VanDerWaalsContact O-CD1 3.27Å; V289-I293 WeakPolarHBondContact O-CD1 3.44Å; V289-I293 WeakPolarHBondContact O-CG1 3.44Å; V289-I293 PolarHBondContact O-N 3.01Å; V289-I320 HydrophobicContact CG2-CD1 4.09Å; V289-I320 HydrophobicContact CG2-CG2 4.33Å; V289-K323 HydrophobicContact CG1-CD 4.23Å |
| 290 | D | 93.9 | Very high | 97.1 | Very high | 82 Ų | 82 | 27.5 Ų | 27.5 | 44% | 0.439 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -72 | -43.1 | -175.7 | -63 | -19.6 | 0 | 0 | 0 | 110.3 | D288 I293 H294 K323 | D288-D290 VanDerWaalsContact C-N 3.29Å; D288-D290 PolarHBondContact O-N 3.29Å; D288-D290 PolarHBondContact OD1-N 3.1Å; D290-I293 PolarHBondContact O-N 3.41Å; D290-H294 PolarHBondContact O-CD2 2.79Å; D290-H294 PolarHBondContact O-N 2.94Å; D290-H294 VanDerWaalsContact O-N 3.12Å; D290-K323 IonicContact OD1-NZ 3.17Å; D290-K323 PolarHBondContact OD1-NZ 3.32Å; D290-K323 VanDerWaalsContact OD1-NZ 3.15Å |
| 291 | E | 95.6 | Very high | 97.1 | Very high | 90 Ų | 90 | 27.2 Ų | 27.2 | 42% | 0.421 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64 | -42.5 | 172.8 | -179.9 | 57.6 | -156.4 | 0 | 0 | 111.9 | D288 I293 H294 Q295 | D288-E291 HydrophobicContact CB-CB 4.09Å; D288-E291 PolarHBondContact O-N 3.15Å; D288-E291 PolarHBondContact OD1-N 3.42Å; E291-I293 VanDerWaalsContact C-N 3.3Å; E291-I293 PolarHBondContact O-N 3.08Å; E291-H294 PolarHBondContact O-N 3.17Å; E291-H294 VanDerWaalsContact O-N 3.14Å; E291-Q295 HydrophobicContact CG-CG 4.29Å; E291-Q295 WeakPolarHBondContact O-CB 3.38Å; E291-Q295 WeakPolarHBondContact O-CG 3.32Å; E291-Q295 PolarHBondContact O-N 2.78Å; E291-Q295 VanDerWaalsContact OE1-CG 3.24Å; E291-Q295 WeakPolarHBondContact OE1-CG 3.29Å; E291-Q295 PolarHBondContact OE1-NE2 2.9Å |
| 292 | A | 97.1 | Very high | 97 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.9 | -37.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | I283 A287 D288 V289 A296 F438 | I283-A292 HydrophobicContact CD1-CB 4.2Å; I283-A292 HydrophobicContact CG2-CB 3.79Å; A287-A292 HydrophobicContact CB-CB 4.33Å; D288-A292 WeakPolarHBondContact O-CB 3.46Å; D288-A292 PolarHBondContact O-N 3.21Å; V289-A292 PolarHBondContact O-N 3.45Å; A292-A296 WeakPolarHBondContact O-CB 3.41Å; A292-A296 PolarHBondContact O-N 2.73Å; A292-F438 HydrophobicContact CB-CB 4.04Å; A292-F438 HydrophobicContact CB-CD1 3.99Å; A292-F438 HydrophobicContact CB-CG 4.08Å |
| 293 | I | 97.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.5 | -47.7 | 172.8 | -67.5 | 157.8 | 0 | 0 | 0 | 110.3 | V289 D290 E291 Q295 A296 H297 F324 R327 L331 | V289-I293 HydrophobicContact CG1-CD1 3.75Å; V289-I293 HydrophobicContact CG1-CG1 4.42Å; V289-I293 VanDerWaalsContact O-CD1 3.27Å; V289-I293 WeakPolarHBondContact O-CD1 3.44Å; V289-I293 WeakPolarHBondContact O-CG1 3.44Å; V289-I293 PolarHBondContact O-N 3.01Å; D290-I293 PolarHBondContact O-N 3.41Å; E291-I293 VanDerWaalsContact C-N 3.3Å; E291-I293 PolarHBondContact O-N 3.08Å; I293-Q295 VanDerWaalsContact C-N 3.33Å; I293-Q295 PolarHBondContact O-N 3.15Å; I293-A296 PolarHBondContact O-N 2.72Å; I293-H297 PolarHBondContact O-CD2 3.18Å; I293-H297 PolarHBondContact O-N 2.92Å; I293-F324 HydrophobicContact CB-CD2 4.49Å; I293-F324 HydrophobicContact CB-CE2 4.15Å; I293-F324 HydrophobicContact CD1-CD2 4.12Å; I293-F324 HydrophobicContact CG1-CD2 3.28Å; I293-F324 HydrophobicContact CG1-CE2 3.37Å; I293-F324 HydrophobicContact CG1-CG 3.98Å; I293-F324 HydrophobicContact CG1-CZ 4.13Å; I293-R327 HydrophobicContact CD1-CB 3.86Å; I293-R327 HydrophobicContact CD1-CG 3.81Å; I293-R327 HydrophobicContact CG2-CG 4.11Å; I293-L331 HydrophobicContact CG2-CD1 3.55Å |
| 294 | H | 96.5 | Very high | 96.9 | Very high | 90 Ų | 90 | 28.7 Ų | 28.7 | 42% | 0.417 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 178.3 | -79.8 | -64.6 | 0 | 0 | 0 | 112.3 | D290 E291 H297 A298 | D290-H294 PolarHBondContact O-CD2 2.79Å; D290-H294 PolarHBondContact O-N 2.94Å; D290-H294 VanDerWaalsContact O-N 3.12Å; E291-H294 PolarHBondContact O-N 3.17Å; E291-H294 VanDerWaalsContact O-N 3.14Å; H294-H297 PolarHBondContact O-N 3.05Å; H294-A298 PolarHBondContact O-N 2.97Å |
| 295 | Q | 97.1 | Very high | 96.9 | Very high | 47 Ų | 47 | 28.4 Ų | 28.4 | 22% | 0.22 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.1 | -37.3 | 176.6 | -69 | -72.9 | -19.5 | 0 | 0 | 112.5 | E291 I293 H297 A298 G299 F438 | E291-Q295 HydrophobicContact CG-CG 4.29Å; E291-Q295 WeakPolarHBondContact O-CB 3.38Å; E291-Q295 WeakPolarHBondContact O-CG 3.32Å; E291-Q295 PolarHBondContact O-N 2.78Å; E291-Q295 VanDerWaalsContact OE1-CG 3.24Å; E291-Q295 WeakPolarHBondContact OE1-CG 3.29Å; E291-Q295 PolarHBondContact OE1-NE2 2.9Å; I293-Q295 VanDerWaalsContact C-N 3.33Å; I293-Q295 PolarHBondContact O-N 3.15Å; Q295-H297 VanDerWaalsContact C-N 3.34Å; Q295-H297 PolarHBondContact O-N 3.46Å; Q295-A298 PolarHBondContact O-N 3.04Å; Q295-G299 PolarHBondContact O-N 3.05Å; Q295-F438 HydrophobicContact CB-CE1 3.51Å; Q295-F438 HydrophobicContact CB-CE2 4.46Å; Q295-F438 HydrophobicContact CB-CZ 3.43Å; Q295-F438 VanDerWaalsContact CB-CZ 3.43Å; Q295-F438 HydrophobicContact CG-CE1 3.75Å; Q295-F438 HydrophobicContact CG-CZ 4.08Å |
| 296 | A | 98 | Very high | 97 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N281 A292 I293 G299 L300 F324 M411 | N281-A296 WeakPolarHBondContact ND2-CA 3.29Å; N281-A296 WeakPolarHBondContact ND2-CB 3.41Å; A292-A296 WeakPolarHBondContact O-CB 3.41Å; A292-A296 PolarHBondContact O-N 2.73Å; I293-A296 PolarHBondContact O-N 2.72Å; A296-G299 PolarHBondContact O-N 2.96Å; A296-L300 PolarHBondContact O-N 3.28Å; A296-F324 HydrophobicContact CB-CE2 4.48Å; A296-F324 HydrophobicContact CB-CZ 3.81Å; A296-M411 HydrophobicContact CB-CE 4.49Å |
| 297 | H | 97.9 | Very high | 97 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.046 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 173.5 | -85.5 | -106.6 | 0 | 0 | 0 | 112.1 | I293 H294 Q295 L300 F301 S328 | I293-H297 PolarHBondContact O-CD2 3.18Å; I293-H297 PolarHBondContact O-N 2.92Å; H294-H297 PolarHBondContact O-N 3.05Å; Q295-H297 VanDerWaalsContact C-N 3.34Å; Q295-H297 PolarHBondContact O-N 3.46Å; H297-L300 PolarHBondContact O-N 3.23Å; H297-F301 HydrophobicContact CB-CD2 4.22Å; H297-F301 AromaticContact CE1-CE2 3.71Å; H297-F301 AromaticContact ND1-CD2 3.58Å; H297-F301 AromaticContact ND1-CE2 3.49Å; H297-F301 WeakPolarHBondContact ND1-CE2 3.2Å; H297-F301 WeakPolarHBondContact O-CB 3.38Å; H297-F301 PolarHBondContact O-N 3.28Å; H297-S328 PolarHBondContact CE1-O 2.8Å; H297-S328 VanDerWaalsContact NE2-CA 3.27Å; H297-S328 WeakPolarHBondContact NE2-CA 3.48Å; H297-S328 WeakPolarHBondContact NE2-CB 3.44Å; H297-S328 PolarHBondContact NE2-O 2.79Å; H297-S328 PolarHBondContact NE2-OG 3.33Å |
| 298 | A | 96.2 | Very high | 97 | Very high | 48 Ų | 48 | 26.2 Ų | 26.2 | 40% | 0.397 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H294 Q295 L300 F302 | H294-A298 PolarHBondContact O-N 2.97Å; Q295-A298 PolarHBondContact O-N 3.04Å; A298-L300 PolarHBondContact O-N 2.65Å; A298-F302 WeakPolarHBondContact O-CB 3.28Å; A298-F302 PolarHBondContact O-N 2.74Å |
| 299 | G | 97.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.5 | -23.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q295 A296 A310 G311 Y462 N463 | Q295-G299 PolarHBondContact O-N 3.05Å; A296-G299 PolarHBondContact O-N 2.96Å; G299-A310 WeakPolarHBondContact O-CA 3.29Å; G299-G311 PolarHBondContact O-N 2.82Å; G299-Y462 VanDerWaalsContact CA-CD1 3.42Å; G299-N463 PolarHBondContact O-ND2 3.44Å |
| 300 | L | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -110.7 | -53.5 | 178.3 | 175.4 | 65 | 0 | 0 | 0 | 113.8 | A296 H297 A298 F302 G305 A310 M411 | A296-L300 PolarHBondContact O-N 3.28Å; H297-L300 PolarHBondContact O-N 3.23Å; A298-L300 PolarHBondContact O-N 2.65Å; L300-F302 PolarHBondContact O-N 2.94Å; L300-G305 WeakPolarHBondContact O-CA 3.44Å; L300-G305 PolarHBondContact O-N 3.12Å; L300-A310 HydrophobicContact CD1-CB 4.02Å; L300-M411 HydrophobicContact CB-CE 4.39Å; L300-M411 HydrophobicContact CD2-CB 3.3Å; L300-M411 HydrophobicContact CD2-CE 3.95Å; L300-M411 HydrophobicContact CD2-CG 3.73Å |
| 301 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -79 | -7.2 | -171.4 | -63.8 | -68.8 | 0 | 0 | 0 | 113.3 | H297 Q304 A332 R335 P389 V391 P409 M411 | H297-F301 HydrophobicContact CB-CD2 4.22Å; H297-F301 AromaticContact CE1-CE2 3.71Å; H297-F301 AromaticContact ND1-CD2 3.58Å; H297-F301 AromaticContact ND1-CE2 3.49Å; H297-F301 WeakPolarHBondContact ND1-CE2 3.2Å; H297-F301 WeakPolarHBondContact O-CB 3.38Å; H297-F301 PolarHBondContact O-N 3.28Å; F301-Q304 PolarHBondContact O-N 2.92Å; F301-A332 HydrophobicContact CE2-CB 4.5Å; F301-A332 HydrophobicContact CZ-CB 4.35Å; F301-R335 PolarHBondContact O-NH2 2.81Å; F301-P389 HydrophobicContact CD1-CB 3.99Å; F301-P389 HydrophobicContact CE1-CB 3.59Å; F301-P389 HydrophobicContact CZ-CB 4.06Å; F301-V391 HydrophobicContact CZ-CG2 4.31Å; F301-P409 HydrophobicContact CD1-CB 3.76Å; F301-P409 HydrophobicContact CE1-CB 4.06Å; F301-P409 WeakPolarHBondContact CE1-O 3.32Å; F301-M411 HydrophobicContact CD2-CE 4.45Å; F301-M411 HydrophobicContact CE2-CE 3.83Å; F301-M411 HydrophobicContact CZ-CB 4.22Å |
| 302 | F | 96.8 | Very high | 97.7 | Very high | 32 Ų | 32 | 13.8 Ų | 13.8 | 14% | 0.14 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -57.9 | 138.7 | 167.8 | 177.5 | -111.8 | 0 | 0 | 0 | 110.9 | H95 I99 F149 A298 L300 Q304 G305 V307 | H95-F302 HydrophobicContact CB-CE2 4.01Å; H95-F302 AromaticContact CD2-CE2 3.95Å; H95-F302 AromaticContact CE1-CD2 3.94Å; H95-F302 AromaticContact CG-CE2 3.64Å; H95-F302 AromaticContact ND1-CD2 3.96Å; H95-F302 AromaticContact ND1-CE2 3.7Å; I99-F302 HydrophobicContact CD1-CE2 3.49Å; I99-F302 VanDerWaalsContact CD1-CE2 3.49Å; I99-F302 HydrophobicContact CD1-CZ 3.78Å; I99-F302 HydrophobicContact CG2-CZ 4.16Å; F149-F302 AromaticContact CE1-CE1 3.74Å; F149-F302 HydrophobicContact CE1-CE1 3.74Å; F149-F302 HydrophobicContact CE1-CZ 4.05Å; F149-F302 HydrophobicContact CZ-CD1 4.32Å; F149-F302 AromaticContact CZ-CE1 3.6Å; F149-F302 HydrophobicContact CZ-CE1 3.6Å; F149-F302 HydrophobicContact CZ-CZ 4.33Å; A298-F302 WeakPolarHBondContact O-CB 3.28Å; A298-F302 PolarHBondContact O-N 2.74Å; L300-F302 PolarHBondContact O-N 2.94Å; F302-Q304 PolarHBondContact O-N 3.09Å; F302-Q304 VanDerWaalsContact O-N 3.1Å; F302-G305 PolarHBondContact O-N 3.49Å; F302-V307 HydrophobicContact CD1-CG2 3.98Å; F302-V307 WeakPolarHBondContact O-CG2 3.33Å |
| 303 | N | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | 48.5 | 36.2 | -175.3 | -157.3 | 45.5 | 0 | 0 | 0 | 113.5 | K91 N148 F149 G305 Q306 V307 | K91-N303 WeakPolarHBondContact CB-OD1 3.3Å; K91-N303 WeakPolarHBondContact CE-OD1 3.48Å; N148-N303 PolarHBondContact O-ND2 2.77Å; F149-N303 HydrophobicContact CE1-CB 4.4Å; F149-N303 HydrophobicContact CE2-CB 4.45Å; F149-N303 WeakPolarHBondContact CE2-ND2 3.19Å; F149-N303 HydrophobicContact CZ-CB 3.75Å; F149-N303 WeakPolarHBondContact CZ-ND2 3.5Å; N303-G305 PolarHBondContact O-N 2.81Å; N303-G305 VanDerWaalsContact O-N 3.15Å; N303-Q306 PolarHBondContact ND2-O 3.24Å; N303-Q306 VanDerWaalsContact O-CB 3.26Å; N303-Q306 WeakPolarHBondContact O-CB 3.47Å; N303-Q306 PolarHBondContact O-N 3.17Å; N303-Q306 PolarHBondContact O-NE2 2.79Å; N303-V307 HydrophobicContact CB-CG2 3.74Å |
| 304 | Q | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | 60.6 | 22.2 | -179.1 | -64.9 | 76.4 | -62 | 0 | 0 | 113.7 | G90 F301 F302 Q306 Q347 G348 P349 G408 P409 | G90-Q304 PolarHBondContact O-NE2 3.14Å; G90-Q304 VanDerWaalsContact O-NE2 3.11Å; F301-Q304 PolarHBondContact O-N 2.92Å; F302-Q304 PolarHBondContact O-N 3.09Å; F302-Q304 VanDerWaalsContact O-N 3.1Å; Q304-Q306 HydrophobicContact CB-CG 4.35Å; Q304-Q306 PolarHBondContact O-N 3.19Å; Q304-Q347 HydrophobicContact CB-CG 4.46Å; Q304-Q347 HydrophobicContact CG-CG 3.65Å; Q304-G348 VanDerWaalsContact CD-N 3.34Å; Q304-G348 WeakPolarHBondContact CG-O 3.43Å; Q304-G348 PolarHBondContact NE2-O 3.4Å; Q304-P349 WeakPolarHBondContact CG-O 3.36Å; Q304-P349 PolarHBondContact NE2-O 3.19Å; Q304-G408 CarbonylContact O-C 3.55Å; Q304-G408 WeakPolarHBondContact O-CA 3.24Å; Q304-P409 WeakPolarHBondContact O-CD 3.49Å |
| 305 | G | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | 75.5 | 7.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L300 F302 N303 V307 F407 G408 | L300-G305 WeakPolarHBondContact O-CA 3.44Å; L300-G305 PolarHBondContact O-N 3.12Å; F302-G305 PolarHBondContact O-N 3.49Å; N303-G305 PolarHBondContact O-N 2.81Å; N303-G305 VanDerWaalsContact O-N 3.15Å; G305-V307 PolarHBondContact O-N 2.91Å; G305-F407 CarbonylContact O-C 3.51Å; G305-F407 VanDerWaalsContact O-C 3.22Å; G305-F407 WeakPolarHBondContact O-CA 3.4Å; G305-G408 PolarHBondContact O-N 3.47Å |
| 306 | Q | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -84.2 | 57.1 | 175.3 | -54.1 | 174.5 | 120.4 | 0 | 0 | 109.8 | W147 N148 N303 Q304 H355 F407 | W147-Q306 HydrophobicContact CH2-CB 3.86Å; W147-Q306 HydrophobicContact CH2-CG 3.86Å; W147-Q306 HydrophobicContact CZ3-CB 3.69Å; W147-Q306 VanDerWaalsContact CZ3-CD 3.42Å; W147-Q306 HydrophobicContact CZ3-CG 3.88Å; N148-Q306 HydrophobicContact CB-CB 4.33Å; N148-Q306 WeakPolarHBondContact CB-O 3.44Å; N148-Q306 PolarHBondContact ND2-O 3.41Å; N303-Q306 PolarHBondContact ND2-O 3.24Å; N303-Q306 VanDerWaalsContact O-CB 3.26Å; N303-Q306 WeakPolarHBondContact O-CB 3.47Å; N303-Q306 PolarHBondContact O-N 3.17Å; N303-Q306 PolarHBondContact O-NE2 2.79Å; Q304-Q306 HydrophobicContact CB-CG 4.35Å; Q304-Q306 PolarHBondContact O-N 3.19Å; Q306-H355 PolarHBondContact OE1-CD2 2.95Å; Q306-F407 HydrophobicContact CB-CD1 3.97Å; Q306-F407 HydrophobicContact CB-CE1 3.81Å; Q306-F407 HydrophobicContact CG-CD1 4.36Å | ||
| 307 | V | 98.3 | Very high | 98 | Very high | 8 Ų | 8 | 9.5 Ų | 9.5 | 5% | 0.048 | 6% | 0.059 | C | C | . | . | trans | -134.6 | 128.1 | -176.3 | -167.1 | 0 | 0 | 0 | 0 | 108.2 | F149 F302 N303 G305 T309 A310 F407 | F149-V307 HydrophobicContact CE2-CB 4.35Å; F149-V307 HydrophobicContact CE2-CG1 4.1Å; F149-V307 HydrophobicContact CE2-CG2 3.99Å; F149-V307 HydrophobicContact CZ-CG1 4.38Å; F149-V307 HydrophobicContact CZ-CG2 3.93Å; F302-V307 HydrophobicContact CD1-CG2 3.98Å; F302-V307 WeakPolarHBondContact O-CG2 3.33Å; N303-V307 HydrophobicContact CB-CG2 3.74Å; G305-V307 PolarHBondContact O-N 2.91Å; V307-T309 WeakPolarHBondContact CG1-OG1 3.36Å; V307-T309 PolarHBondContact O-N 3.36Å; V307-A310 HydrophobicContact CB-CB 4.24Å; V307-A310 WeakPolarHBondContact O-CB 3.3Å; V307-A310 PolarHBondContact O-N 2.64Å; V307-F407 VanDerWaalsContact C-CE2 3.4Å | ||
| 308 | C | 97.4 | Very high | 97.9 | Very high | 29 Ų | 29 | 10.8 Ų | 10.8 | 20% | 0.196 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.7 | -179.5 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | G277 F407 L433 | G277-C308 WeakPolarHBondContact CA-O 3.41Å; G277-C308 PolarHBondContact N-O 3.44Å; C308-F407 HydrophobicContact CB-CE2 4.42Å; C308-L433 HydrophobicContact CB-CD2 3.5Å; C308-L433 VanDerWaalsContact CB-CD2 3.5Å; C308-L433 WeakPolarHBondContact O-CD2 3.24Å |
| 309 | T | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 7.9 | 176.5 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | V307 G311 L433 A434 W458 Y462 N463 F465 F471 | V307-T309 WeakPolarHBondContact CG1-OG1 3.36Å; V307-T309 PolarHBondContact O-N 3.36Å; T309-G311 PolarHBondContact O-N 3.16Å; T309-L433 HydrophobicContact CG2-CD2 3.84Å; T309-L433 HydrophobicContact CG2-CG 4.12Å; T309-A434 HydrophobicContact CG2-CB 3.68Å; T309-W458 HydrophobicContact CG2-CH2 3.98Å; T309-Y462 VanDerWaalsContact O-CE1 3.31Å; T309-Y462 WeakPolarHBondContact O-CE1 3.46Å; T309-Y462 PolarHBondContact O-OH 3.24Å; T309-N463 PolarHBondContact OG1-OD1 2.77Å; T309-F465 HydrophobicContact CG2-CZ 3.98Å; T309-F471 HydrophobicContact CG2-CE2 3.61Å; T309-F471 HydrophobicContact CG2-CZ 3.43Å; T309-F471 VanDerWaalsContact CG2-CZ 3.43Å |
| 310 | A | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 14 Ų | 14 | 7% | 0.066 | 9% | 0.088 | C | C | . | . | trans | -51.4 | 125.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G299 L300 V307 S312 | G299-A310 WeakPolarHBondContact O-CA 3.29Å; L300-A310 HydrophobicContact CD1-CB 4.02Å; V307-A310 HydrophobicContact CB-CB 4.24Å; V307-A310 WeakPolarHBondContact O-CB 3.3Å; V307-A310 PolarHBondContact O-N 2.64Å; A310-S312 PolarHBondContact O-N 2.87Å; A310-S312 PolarHBondContact O-OG 2.7Å | ||
| 311 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -71.3 | 56.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G299 T309 Y462 | G299-G311 PolarHBondContact O-N 2.82Å; T309-G311 PolarHBondContact O-N 3.16Å; G311-Y462 WeakPolarHBondContact CA-OH 3.4Å; G311-Y462 PolarHBondContact N-OH 2.74Å | ||
| 312 | S | 98 | Very high | 97.9 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 9% | 0.091 | 12% | 0.115 | C | C | . | . | trans | -74.6 | -27.5 | -168.9 | 51.7 | 0 | 0 | 0 | 0 | 113 | A310 Q412 | A310-S312 PolarHBondContact O-N 2.87Å; A310-S312 PolarHBondContact O-OG 2.7Å; S312-Q412 WeakPolarHBondContact O-CB 3.29Å; S312-Q412 PolarHBondContact O-N 3.25Å; S312-Q412 PolarHBondContact O-OE1 3.22Å | ||
| 313 | R | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 99.2 | 172.4 | -65 | -167.1 | -67.2 | 156.6 | 3.9 | 110.6 | K278 S279 P280 N281 F315 A402 M414 K425 A426 | K278-R313 HydrophobicContact CD-CG 4.29Å; K278-R313 HydrophobicContact CG-CG 3.92Å; K278-R313 PolarHBondContact O-NE 3.48Å; K278-R313 PolarHBondContact O-NH2 3.42Å; S279-R313 PolarHBondContact O-N 3.24Å; P280-R313 CarbonylContact C-O 3.5Å; P280-R313 WeakPolarHBondContact CA-O 3.35Å; N281-R313 PolarHBondContact N-O 2.89Å; R313-F315 HydrophobicContact CB-CD2 4.4Å; R313-F315 HydrophobicContact CB-CE2 3.76Å; R313-F315 HydrophobicContact CB-CZ 4.41Å; R313-A402 VanDerWaalsContact CD-O 3.29Å; R313-A402 WeakPolarHBondContact CD-O 3.48Å; R313-M414 HydrophobicContact CB-CE 4.07Å; R313-M414 HydrophobicContact CB-SD 4.4Å; R313-M414 HydrophobicContact CG-CE 3.67Å; R313-K425 PolarHBondContact NH1-O 3.08Å; R313-A426 PolarHBondContact NH2-O 2.85Å |
| 314 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.1 | 178.1 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | N281 I283 V316 F324 M411 Q412 I413 M414 | N281-V314 CarbonylContact O-C 3.59Å; N281-V314 VanDerWaalsContact O-CA 3.29Å; N281-V314 WeakPolarHBondContact O-CA 3.04Å; I283-V314 HydrophobicContact CG1-CG1 4.07Å; V314-V316 HydrophobicContact CG1-CG2 3.83Å; V314-F324 HydrophobicContact CG1-CE1 3.73Å; V314-F324 HydrophobicContact CG1-CZ 3.62Å; V314-M411 HydrophobicContact CG2-CE 4.25Å; V314-M411 HydrophobicContact CG2-CG 3.85Å; V314-M411 HydrophobicContact CG2-SD 4.13Å; V314-Q412 PolarHBondContact N-O 2.82Å; V314-I413 CarbonylContact O-C 3.55Å; V314-I413 WeakPolarHBondContact O-CA 3.42Å; V314-M414 PolarHBondContact O-N 3.34Å |
| 315 | F | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.1 | 175.6 | -67.7 | -88.2 | 0 | 0 | 0 | 108.9 | P280 N281 I282 I283 R313 M414 F416 L422 K425 A426 | P280-F315 HydrophobicContact CB-CD2 3.9Å; P280-F315 HydrophobicContact CB-CE2 3.72Å; N281-F315 PolarHBondContact O-N 3.4Å; I282-F315 CarbonylContact C-O 3.2Å; I282-F315 WeakPolarHBondContact CA-O 3.42Å; I282-F315 HydrophobicContact CG1-CB 4.33Å; I282-F315 HydrophobicContact CG1-CD2 4.44Å; I283-F315 PolarHBondContact N-O 3.06Å; R313-F315 HydrophobicContact CB-CD2 4.4Å; R313-F315 HydrophobicContact CB-CE2 3.76Å; R313-F315 HydrophobicContact CB-CZ 4.41Å; F315-M414 WeakPolarHBondContact CA-O 3.43Å; F315-M414 HydrophobicContact CD1-CB 3.82Å; F315-M414 HydrophobicContact CD1-SD 4.12Å; F315-M414 HydrophobicContact CE1-CB 3.99Å; F315-M414 HydrophobicContact CE1-CG 4.34Å; F315-M414 HydrophobicContact CE1-SD 3.4Å; F315-M414 WeakPolarHBondContact CE1-SD 3.03Å; F315-M414 HydrophobicContact CE2-SD 4.14Å; F315-M414 HydrophobicContact CG-CB 4.5Å; F315-M414 HydrophobicContact CZ-SD 3.42Å; F315-M414 WeakPolarHBondContact CZ-SD 3.36Å; F315-F416 HydrophobicContact CB-CD1 3.88Å; F315-F416 HydrophobicContact CB-CE1 4.28Å; F315-L422 HydrophobicContact CB-CD1 3.71Å; F315-L422 HydrophobicContact CD1-CD1 4.23Å; F315-L422 HydrophobicContact CG-CD1 3.97Å; F315-K425 HydrophobicContact CE1-CB 3.86Å; F315-K425 HydrophobicContact CZ-CB 4.31Å; F315-A426 HydrophobicContact CE2-CB 4.36Å |
| 316 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134 | -176.2 | -174 | 0 | 0 | 0 | 0 | 110.2 | I283 V314 I320 Y321 F324 I413 M414 R415 F416 | I283-V316 HydrophobicContact CB-CG2 4.37Å; I283-V316 HydrophobicContact CG1-CG2 4.3Å; V314-V316 HydrophobicContact CG1-CG2 3.83Å; V316-I320 HydrophobicContact CG1-CD1 3.92Å; V316-I320 HydrophobicContact CG1-CG1 3.77Å; V316-Y321 HydrophobicContact CB-CD2 4.17Å; V316-F324 HydrophobicContact CG1-CB 3.85Å; V316-F324 HydrophobicContact CG1-CD2 4.29Å; V316-F324 HydrophobicContact CG1-CG 4.02Å; V316-F324 HydrophobicContact CG2-CB 4.37Å; V316-F324 HydrophobicContact CG2-CD1 3.65Å; V316-F324 HydrophobicContact CG2-CD2 4.09Å; V316-F324 HydrophobicContact CG2-CE1 3.93Å; V316-F324 HydrophobicContact CG2-CE2 4.34Å; V316-F324 HydrophobicContact CG2-CG 3.76Å; V316-F324 HydrophobicContact CG2-CZ 4.28Å; V316-I413 HydrophobicContact CG2-CG2 3.92Å; V316-M414 PolarHBondContact N-O 3.02Å; V316-R415 WeakPolarHBondContact O-CA 3.43Å; V316-F416 WeakPolarHBondContact O-CD1 3.12Å; V316-F416 PolarHBondContact O-N 2.93Å; V316-F416 VanDerWaalsContact O-N 3.08Å |
| 317 | E | 97.8 | Very high | 97.9 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 135.9 | 178.2 | -166.8 | 174.9 | 160.1 | 0 | 0 | 110.5 | I283 F284 A285 S319 I320 Y321 F416 | I283-E317 PolarHBondContact O-N 3.46Å; F284-E317 WeakPolarHBondContact CA-OE2 3.32Å; F284-E317 WeakPolarHBondContact CD1-OE2 3.41Å; A285-E317 HydrophobicContact CB-CB 4.25Å; A285-E317 HydrophobicContact CB-CG 4.21Å; A285-E317 WeakPolarHBondContact CB-OE2 3.19Å; A285-E317 PolarHBondContact N-OE2 3.29Å; E317-S319 PolarHBondContact O-N 2.96Å; E317-I320 HydrophobicContact CB-CG1 4.41Å; E317-I320 WeakPolarHBondContact O-CG1 3.25Å; E317-I320 PolarHBondContact O-N 2.83Å; E317-Y321 PolarHBondContact O-N 2.92Å; E317-F416 HydrophobicContact CB-CE1 4.04Å; E317-F416 HydrophobicContact CB-CE2 3.95Å; E317-F416 HydrophobicContact CB-CZ 3.59Å; E317-F416 HydrophobicContact CG-CE2 4.02Å; E317-F416 HydrophobicContact CG-CZ 4.18Å |
| 318 | A | 97 | Very high | 97.9 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 31% | 0.306 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -50.8 | -37.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | I320 Y321 R415 F416 D417 | A318-I320 VanDerWaalsContact C-N 3.26Å; A318-I320 PolarHBondContact O-N 3.23Å; A318-Y321 PolarHBondContact O-N 3.11Å; A318-R415 HydrophobicContact CB-CG 3.9Å; A318-F416 PolarHBondContact N-O 3.32Å; A318-D417 WeakPolarHBondContact CB-OD1 3.45Å |
| 319 | S | 96.9 | Very high | 98 | Very high | 92 Ų | 92 | 31.8 Ų | 31.8 | 64% | 0.643 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -67.8 | -20.2 | -176.6 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | A285 E317 | A285-S319 WeakPolarHBondContact CB-OG 3.45Å; E317-S319 PolarHBondContact O-N 2.96Å |
| 320 | I | 97.4 | Very high | 98 | Very high | 24 Ų | 24 | 37 Ų | 37 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -117.7 | 3 | 179 | 59.2 | 155.9 | 0 | 0 | 0 | 113 | I283 A285 V289 V316 E317 A318 D322 K323 F324 | I283-I320 HydrophobicContact CG2-CD1 4.02Å; A285-I320 HydrophobicContact CB-CG1 4.32Å; A285-I320 HydrophobicContact CB-CG2 3.97Å; V289-I320 HydrophobicContact CG2-CD1 4.09Å; V289-I320 HydrophobicContact CG2-CG2 4.33Å; V316-I320 HydrophobicContact CG1-CD1 3.92Å; V316-I320 HydrophobicContact CG1-CG1 3.77Å; E317-I320 HydrophobicContact CB-CG1 4.41Å; E317-I320 WeakPolarHBondContact O-CG1 3.25Å; E317-I320 PolarHBondContact O-N 2.83Å; A318-I320 VanDerWaalsContact C-N 3.26Å; A318-I320 PolarHBondContact O-N 3.23Å; I320-D322 PolarHBondContact O-N 3Å; I320-K323 PolarHBondContact O-N 2.97Å; I320-F324 WeakPolarHBondContact O-CB 3.44Å; I320-F324 PolarHBondContact O-N 3.35Å |
| 321 | Y | 98 | Very high | 97.9 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.9 | -52.7 | -172.2 | 180 | -90.2 | 0 | 0 | 0 | 113.1 | V316 E317 A318 K323 F324 V325 D394 I413 R415 | V316-Y321 HydrophobicContact CB-CD2 4.17Å; E317-Y321 PolarHBondContact O-N 2.92Å; A318-Y321 PolarHBondContact O-N 3.11Å; Y321-K323 PolarHBondContact O-N 3.32Å; Y321-F324 WeakPolarHBondContact O-CB 3.45Å; Y321-F324 PolarHBondContact O-N 3.15Å; Y321-F324 VanDerWaalsContact O-N 3.17Å; Y321-V325 HydrophobicContact CD1-CG2 4.05Å; Y321-V325 HydrophobicContact CE1-CG2 3.75Å; Y321-V325 HydrophobicContact CE2-CG2 4.25Å; Y321-V325 HydrophobicContact CG-CG2 4.47Å; Y321-V325 WeakPolarHBondContact O-CG2 3.24Å; Y321-V325 PolarHBondContact O-N 3.04Å; Y321-D394 WeakPolarHBondContact OH-CA 3.33Å; Y321-D394 PolarHBondContact OH-N 3.3Å; Y321-D394 PolarHBondContact OH-OD1 2.6Å; Y321-I413 HydrophobicContact CD2-CG2 4.39Å; Y321-I413 HydrophobicContact CE2-CG2 3.8Å; Y321-R415 HydrophobicContact CD2-CB 3.77Å; Y321-R415 HydrophobicContact CD2-CG 4.04Å; Y321-R415 HydrophobicContact CE2-CB 3.83Å; Y321-R415 HydrophobicContact CG-CB 4.49Å; Y321-R415 HydrophobicContact CG-CG 4.37Å |
| 322 | D | 97.6 | Very high | 97.9 | Very high | 106 Ų | 106 | 38 Ų | 38 | 57% | 0.567 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63.3 | -43.5 | -175.9 | -64.8 | -26.5 | 0 | 0 | 0 | 111.2 | I320 F324 V325 D326 R415 | I320-D322 PolarHBondContact O-N 3Å; D322-F324 VanDerWaalsContact C-N 3.33Å; D322-F324 PolarHBondContact O-N 3.17Å; D322-V325 PolarHBondContact O-N 3.5Å; D322-D326 PolarHBondContact O-N 2.9Å; D322-R415 IonicContact OD1-NH2 2.8Å |
| 323 | K | 97.1 | Very high | 97.9 | Very high | 110 Ų | 110 | 44.3 Ų | 44.3 | 48% | 0.478 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.2 | -45.4 | 174.6 | -176.2 | -174.2 | 173.7 | -162.4 | 0 | 111.3 | V289 D290 I320 Y321 R327 | V289-K323 HydrophobicContact CG1-CD 4.23Å; D290-K323 IonicContact OD1-NZ 3.17Å; D290-K323 PolarHBondContact OD1-NZ 3.32Å; D290-K323 VanDerWaalsContact OD1-NZ 3.15Å; I320-K323 PolarHBondContact O-N 2.97Å; Y321-K323 PolarHBondContact O-N 3.32Å; K323-R327 WeakPolarHBondContact O-CB 3.49Å; K323-R327 PolarHBondContact O-N 2.78Å |
| 324 | F | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 179.7 | -172.7 | -78.3 | 0 | 0 | 0 | 111.6 | I283 I293 A296 V314 V316 I320 Y321 D322 S328 I413 | I283-F324 HydrophobicContact CB-CE2 4.43Å; I283-F324 HydrophobicContact CD1-CE2 4.43Å; I283-F324 HydrophobicContact CG1-CE2 3.82Å; I283-F324 HydrophobicContact CG1-CZ 4.25Å; I283-F324 HydrophobicContact CG2-CD2 4.3Å; I283-F324 HydrophobicContact CG2-CE2 4.21Å; I293-F324 HydrophobicContact CB-CD2 4.49Å; I293-F324 HydrophobicContact CB-CE2 4.15Å; I293-F324 HydrophobicContact CD1-CD2 4.12Å; I293-F324 HydrophobicContact CG1-CD2 3.28Å; I293-F324 HydrophobicContact CG1-CE2 3.37Å; I293-F324 HydrophobicContact CG1-CG 3.98Å; I293-F324 HydrophobicContact CG1-CZ 4.13Å; A296-F324 HydrophobicContact CB-CE2 4.48Å; A296-F324 HydrophobicContact CB-CZ 3.81Å; V314-F324 HydrophobicContact CG1-CE1 3.73Å; V314-F324 HydrophobicContact CG1-CZ 3.62Å; V316-F324 HydrophobicContact CG1-CB 3.85Å; V316-F324 HydrophobicContact CG1-CD2 4.29Å; V316-F324 HydrophobicContact CG1-CG 4.02Å; V316-F324 HydrophobicContact CG2-CB 4.37Å; V316-F324 HydrophobicContact CG2-CD1 3.65Å; V316-F324 HydrophobicContact CG2-CD2 4.09Å; V316-F324 HydrophobicContact CG2-CE1 3.93Å; V316-F324 HydrophobicContact CG2-CE2 4.34Å; V316-F324 HydrophobicContact CG2-CG 3.76Å; V316-F324 HydrophobicContact CG2-CZ 4.28Å; I320-F324 WeakPolarHBondContact O-CB 3.44Å; I320-F324 PolarHBondContact O-N 3.35Å; Y321-F324 WeakPolarHBondContact O-CB 3.45Å; Y321-F324 PolarHBondContact O-N 3.15Å; Y321-F324 VanDerWaalsContact O-N 3.17Å; D322-F324 VanDerWaalsContact C-N 3.33Å; D322-F324 PolarHBondContact O-N 3.17Å; F324-S328 VanDerWaalsContact CE1-OG 3.26Å; F324-S328 WeakPolarHBondContact CE1-OG 3.39Å; F324-S328 WeakPolarHBondContact O-CB 3.48Å; F324-S328 PolarHBondContact O-N 3.03Å; F324-S328 PolarHBondContact O-OG 2.79Å; F324-I413 HydrophobicContact CD1-CD1 4.18Å; F324-I413 HydrophobicContact CD1-CG2 4.31Å; F324-I413 HydrophobicContact CE1-CD1 4.15Å |
| 325 | V | 98.3 | Very high | 97.9 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -52.5 | 179.5 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | Y321 D322 R327 S328 V329 L374 A393 I413 | Y321-V325 HydrophobicContact CD1-CG2 4.05Å; Y321-V325 HydrophobicContact CE1-CG2 3.75Å; Y321-V325 HydrophobicContact CE2-CG2 4.25Å; Y321-V325 HydrophobicContact CG-CG2 4.47Å; Y321-V325 WeakPolarHBondContact O-CG2 3.24Å; Y321-V325 PolarHBondContact O-N 3.04Å; D322-V325 PolarHBondContact O-N 3.5Å; V325-R327 PolarHBondContact O-N 3.49Å; V325-S328 WeakPolarHBondContact O-CB 3.5Å; V325-S328 PolarHBondContact O-N 3.47Å; V325-V329 WeakPolarHBondContact O-CG2 3.36Å; V325-V329 PolarHBondContact O-N 2.95Å; V325-L374 HydrophobicContact CG1-CD1 3.23Å; V325-A393 HydrophobicContact CG1-CB 4.21Å; V325-A393 HydrophobicContact CG2-CB 4.34Å; V325-I413 HydrophobicContact CG2-CD1 4.07Å; V325-I413 HydrophobicContact CG2-CG2 3.99Å |
| 326 | D | 98 | Very high | 97.8 | Very high | 108 Ų | 108 | 53.9 Ų | 53.9 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.7 | -49.6 | -177.6 | -74.6 | -18.6 | 0 | 0 | 0 | 111.2 | D322 S328 V329 E330 | D322-D326 PolarHBondContact O-N 2.9Å; D326-S328 VanDerWaalsContact C-N 3.31Å; D326-S328 PolarHBondContact O-N 3.39Å; D326-V329 PolarHBondContact O-N 2.83Å; D326-E330 PolarHBondContact O-N 3.35Å; D326-E330 VanDerWaalsContact O-N 3.1Å |
| 327 | R | 97.7 | Very high | 97.8 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 179.5 | -174.4 | 58.7 | 177.6 | 157.5 | 2.4 | 112.4 | I293 K323 V325 V329 E330 L331 | I293-R327 HydrophobicContact CD1-CB 3.86Å; I293-R327 HydrophobicContact CD1-CG 3.81Å; I293-R327 HydrophobicContact CG2-CG 4.11Å; K323-R327 WeakPolarHBondContact O-CB 3.49Å; K323-R327 PolarHBondContact O-N 2.78Å; V325-R327 PolarHBondContact O-N 3.49Å; R327-V329 VanDerWaalsContact C-N 3.34Å; R327-E330 VanDerWaalsContact CD-OE2 3.3Å; R327-E330 WeakPolarHBondContact CD-OE2 3.15Å; R327-E330 IonicContact CZ-OE2 3.88Å; R327-E330 IonicContact NE-OE2 2.93Å; R327-E330 IonicContact NH1-OE2 2.99Å; R327-E330 PolarHBondContact NH1-OE2 3.3Å; R327-E330 PolarHBondContact O-N 2.94Å; R327-L331 WeakPolarHBondContact O-CG 3.46Å; R327-L331 PolarHBondContact O-N 3.2Å |
| 328 | S | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 174.6 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | H297 F324 V325 D326 L331 A332 | H297-S328 PolarHBondContact CE1-O 2.8Å; H297-S328 VanDerWaalsContact NE2-CA 3.27Å; H297-S328 WeakPolarHBondContact NE2-CA 3.48Å; H297-S328 WeakPolarHBondContact NE2-CB 3.44Å; H297-S328 PolarHBondContact NE2-O 2.79Å; H297-S328 PolarHBondContact NE2-OG 3.33Å; F324-S328 VanDerWaalsContact CE1-OG 3.26Å; F324-S328 WeakPolarHBondContact CE1-OG 3.39Å; F324-S328 WeakPolarHBondContact O-CB 3.48Å; F324-S328 PolarHBondContact O-N 3.03Å; F324-S328 PolarHBondContact O-OG 2.79Å; V325-S328 WeakPolarHBondContact O-CB 3.5Å; V325-S328 PolarHBondContact O-N 3.47Å; D326-S328 VanDerWaalsContact C-N 3.31Å; D326-S328 PolarHBondContact O-N 3.39Å; S328-L331 PolarHBondContact O-N 3.47Å; S328-A332 VanDerWaalsContact O-CB 3.31Å; S328-A332 WeakPolarHBondContact O-CB 2.75Å; S328-A332 PolarHBondContact O-N 3.05Å |
| 329 | V | 98.5 | Very high | 97.8 | Very high | 16 Ų | 16 | 56 Ų | 56 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | V325 D326 R327 K333 L374 C375 V391 | V325-V329 WeakPolarHBondContact O-CG2 3.36Å; V325-V329 PolarHBondContact O-N 2.95Å; D326-V329 PolarHBondContact O-N 2.83Å; R327-V329 VanDerWaalsContact C-N 3.34Å; V329-K333 HydrophobicContact CG1-CD 3.97Å; V329-K333 WeakPolarHBondContact O-CB 3.26Å; V329-K333 VanDerWaalsContact O-CG 3.31Å; V329-K333 WeakPolarHBondContact O-CG 3.38Å; V329-K333 PolarHBondContact O-N 3.23Å; V329-L374 HydrophobicContact CG2-CB 3.54Å; V329-L374 HydrophobicContact CG2-CD1 3.65Å; V329-L374 HydrophobicContact CG2-CG 4.26Å; V329-C375 HydrophobicContact CG1-CB 4.11Å; V329-V391 HydrophobicContact CG2-CB 4.49Å; V329-V391 HydrophobicContact CG2-CG1 4.32Å |
| 330 | E | 98.2 | Very high | 97.8 | Very high | 108 Ų | 108 | 51.7 Ų | 51.7 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.1 | -51.5 | 175.6 | -69.5 | 178.2 | 170.6 | 0 | 0 | 111.9 | D326 R327 A332 K333 S334 | D326-E330 PolarHBondContact O-N 3.35Å; D326-E330 VanDerWaalsContact O-N 3.1Å; R327-E330 VanDerWaalsContact CD-OE2 3.3Å; R327-E330 WeakPolarHBondContact CD-OE2 3.15Å; R327-E330 IonicContact CZ-OE2 3.88Å; R327-E330 IonicContact NE-OE2 2.93Å; R327-E330 IonicContact NH1-OE2 2.99Å; R327-E330 PolarHBondContact NH1-OE2 3.3Å; R327-E330 PolarHBondContact O-N 2.94Å; E330-A332 PolarHBondContact O-N 3.24Å; E330-K333 PolarHBondContact O-N 3.3Å; E330-S334 WeakPolarHBondContact O-CB 3.36Å; E330-S334 PolarHBondContact O-N 3.41Å; E330-S334 PolarHBondContact O-OG 3.14Å |
| 331 | L | 97.8 | Very high | 97.9 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -44 | -179.6 | -71.2 | 178.7 | 0 | 0 | 0 | 111.8 | I293 R327 S328 K333 S334 R335 | I293-L331 HydrophobicContact CG2-CD1 3.55Å; R327-L331 WeakPolarHBondContact O-CG 3.46Å; R327-L331 PolarHBondContact O-N 3.2Å; S328-L331 PolarHBondContact O-N 3.47Å; L331-K333 VanDerWaalsContact C-N 3.33Å; L331-K333 PolarHBondContact O-N 3.4Å; L331-S334 WeakPolarHBondContact CA-OG 3.33Å; L331-S334 PolarHBondContact O-N 3.36Å; L331-S334 PolarHBondContact O-OG 2.92Å; L331-R335 PolarHBondContact O-N 2.81Å |
| 332 | A | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F301 S328 E330 S334 P389 V391 | F301-A332 HydrophobicContact CE2-CB 4.5Å; F301-A332 HydrophobicContact CZ-CB 4.35Å; S328-A332 VanDerWaalsContact O-CB 3.31Å; S328-A332 WeakPolarHBondContact O-CB 2.75Å; S328-A332 PolarHBondContact O-N 3.05Å; E330-A332 PolarHBondContact O-N 3.24Å; A332-S334 VanDerWaalsContact C-N 3.35Å; A332-P389 HydrophobicContact CB-CB 4.02Å; A332-P389 WeakPolarHBondContact O-CB 3.49Å; A332-P389 WeakPolarHBondContact O-CG 3.34Å; A332-V391 HydrophobicContact CB-CG2 3.73Å |
| 333 | K | 98.2 | Very high | 97.7 | Very high | 147 Ų | 147 | 58.5 Ų | 58.5 | 64% | 0.639 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -69.4 | -30.3 | 176.6 | -74.3 | 174.4 | 179.8 | 172.1 | 0 | 113.2 | V329 E330 L331 R335 C375 | V329-K333 HydrophobicContact CG1-CD 3.97Å; V329-K333 WeakPolarHBondContact O-CB 3.26Å; V329-K333 VanDerWaalsContact O-CG 3.31Å; V329-K333 WeakPolarHBondContact O-CG 3.38Å; V329-K333 PolarHBondContact O-N 3.23Å; E330-K333 PolarHBondContact O-N 3.3Å; L331-K333 VanDerWaalsContact C-N 3.33Å; L331-K333 PolarHBondContact O-N 3.4Å; K333-R335 VanDerWaalsContact C-N 3.34Å; K333-C375 HydrophobicContact CD-CB 4.39Å; K333-C375 HydrophobicContact CG-CB 3.96Å |
| 334 | S | 97.6 | Very high | 97.7 | Very high | 76 Ų | 76 | 57 Ų | 57 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -81.2 | -10.4 | -178.8 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | E330 L331 A332 I336 | E330-S334 WeakPolarHBondContact O-CB 3.36Å; E330-S334 PolarHBondContact O-N 3.41Å; E330-S334 PolarHBondContact O-OG 3.14Å; L331-S334 WeakPolarHBondContact CA-OG 3.33Å; L331-S334 PolarHBondContact O-N 3.36Å; L331-S334 PolarHBondContact O-OG 2.92Å; A332-S334 VanDerWaalsContact C-N 3.35Å; S334-I336 PolarHBondContact O-N 2.84Å |
| 335 | R | 97.5 | Very high | 97.7 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | trans | -67.1 | 127.8 | -175.4 | -166.3 | 176.2 | -168.6 | 92 | 5.7 | 111.6 | F301 L331 K333 M337 Q346 Q347 P389 | F301-R335 PolarHBondContact O-NH2 2.81Å; L331-R335 PolarHBondContact O-N 2.81Å; K333-R335 VanDerWaalsContact C-N 3.34Å; R335-M337 PolarHBondContact O-N 3.02Å; R335-Q346 HydrophobicContact CG-CB 3.84Å; R335-Q346 PolarHBondContact NE-O 3.09Å; R335-Q346 PolarHBondContact NH2-O 3.14Å; R335-Q347 HydrophobicContact CG-CB 4.33Å; R335-P389 HydrophobicContact CB-CG 4.01Å; R335-P389 HydrophobicContact CG-CG 4.47Å | ||
| 336 | I | 97.5 | Very high | 97.7 | Very high | 81 Ų | 81 | 60.9 Ų | 60.9 | 42% | 0.415 | 32% | 0.316 | S | S | . | . | trans | -82.2 | 115.8 | -178 | -56 | 174.9 | 0 | 0 | 0 | 109.7 | S334 Q346 Q347 | S334-I336 PolarHBondContact O-N 2.84Å; I336-Q346 VanDerWaalsContact N-OE1 3.11Å; I336-Q346 PolarHBondContact O-N 2.59Å; I336-Q347 PolarHBondContact O-N 3.34Å; I336-Q347 VanDerWaalsContact O-N 3.12Å | ||
| 337 | M | 97.8 | Very high | 97.7 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -99.8 | 146.4 | 170.8 | -64.1 | 174.9 | -65.5 | 0 | 0 | 110.1 | R335 Q347 W380 F386 K388 | R335-M337 PolarHBondContact O-N 3.02Å; M337-Q347 VanDerWaalsContact CA-O 3.26Å; M337-Q347 WeakPolarHBondContact CA-O 3.36Å; M337-Q347 HydrophobicContact CG-CB 3.98Å; M337-Q347 HydrophobicContact CG-CG 4.38Å; M337-W380 HydrophobicContact CB-CD2 4.4Å; M337-W380 HydrophobicContact CB-CE3 4.31Å; M337-W380 HydrophobicContact CB-CZ3 4.42Å; M337-W380 HydrophobicContact CE-CB 3.77Å; M337-W380 HydrophobicContact CE-CD2 3.77Å; M337-W380 HydrophobicContact CE-CG 3.34Å; M337-W380 HydrophobicContact SD-CB 4.15Å; M337-W380 HydrophobicContact SD-CD2 4.49Å; M337-W380 HydrophobicContact SD-CG 4.2Å; M337-F386 HydrophobicContact CB-CD1 4.47Å; M337-K388 HydrophobicContact CE-CG 4.11Å |
| 338 | G | 97.2 | Very high | 97.7 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 170.7 | -157.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P340 Q347 F386 | G338-P340 WeakPolarHBondContact O-CD 3.29Å; G338-Q347 PolarHBondContact N-O 3.02Å; G338-F386 WeakPolarHBondContact O-CE1 3.25Å; G338-F386 WeakPolarHBondContact O-CZ 3.45Å |
| 339 | D | 97.3 | Very high | 97.7 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | trans | -57.9 | 122 | 173.6 | -175.7 | -12.6 | 0 | 0 | 0 | 109.6 | F341 D342 T345 | D339-F341 PolarHBondContact O-N 2.79Å; D339-F341 VanDerWaalsContact O-N 3.1Å; D339-F341 PolarHBondContact OD1-N 2.9Å; D339-D342 HydrophobicContact CB-CB 4.37Å; D339-D342 WeakPolarHBondContact O-CB 3.43Å; D339-D342 PolarHBondContact O-N 2.89Å; D339-T345 WeakPolarHBondContact O-CB 3.29Å; D339-T345 PolarHBondContact O-OG1 2.83Å | ||
| 340 | P | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -20.7 | 176.8 | -28.5 | 38.6 | 0 | 0 | 0 | 115 | T22 T86 G90 K91 P92 Y93 G338 | T22-P340 HydrophobicContact CG2-CG 4.43Å; T22-P340 WeakPolarHBondContact OG1-CD 3.48Å; T22-P340 WeakPolarHBondContact OG1-CG 3.39Å; T86-P340 HydrophobicContact CG2-CB 3.49Å; T86-P340 VanDerWaalsContact CG2-CB 3.49Å; G90-P340 WeakPolarHBondContact O-CG 3.4Å; K91-P340 WeakPolarHBondContact O-CB 3.35Å; P92-P340 CarbonylContact C-O 3.56Å; P92-P340 WeakPolarHBondContact CA-O 3.38Å; Y93-P340 PolarHBondContact N-O 3.18Å; G338-P340 WeakPolarHBondContact O-CD 3.29Å |
| 341 | F | 98.2 | Very high | 97.8 | Very high | 86 Ų | 86 | 45.8 Ų | 45.8 | 38% | 0.377 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -12.4 | 175.8 | -71.4 | -79.1 | 0 | 0 | 0 | 114.1 | S83 T86 L87 Y93 D339 | S83-F341 WeakPolarHBondContact O-CZ 3.45Å; T86-F341 HydrophobicContact CG2-CD1 4.18Å; T86-F341 HydrophobicContact CG2-CD2 4.02Å; T86-F341 HydrophobicContact CG2-CE1 3.89Å; T86-F341 HydrophobicContact CG2-CE2 3.71Å; T86-F341 HydrophobicContact CG2-CG 4.25Å; T86-F341 HydrophobicContact CG2-CZ 3.65Å; L87-F341 HydrophobicContact CB-CE2 4.44Å; L87-F341 HydrophobicContact CB-CZ 4.26Å; Y93-F341 HydrophobicContact CD2-CD1 4.13Å; Y93-F341 HydrophobicContact CD2-CE1 4Å; Y93-F341 HydrophobicContact CG-CD1 4.35Å; D339-F341 PolarHBondContact O-N 2.79Å; D339-F341 VanDerWaalsContact O-N 3.1Å; D339-F341 PolarHBondContact OD1-N 2.9Å |
| 342 | D | 97.6 | Very high | 97.8 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -71.8 | 123 | 172.1 | -174.3 | -38.9 | 0 | 0 | 0 | 109.2 | D339 T344 T345 | D339-D342 HydrophobicContact CB-CB 4.37Å; D339-D342 WeakPolarHBondContact O-CB 3.43Å; D339-D342 PolarHBondContact O-N 2.89Å; D342-T344 PolarHBondContact O-N 3.09Å; D342-T344 WeakPolarHBondContact OD1-CB 3.2Å; D342-T344 PolarHBondContact OD1-N 3.4Å; D342-T344 PolarHBondContact OD1-OG1 2.96Å; D342-T345 WeakPolarHBondContact O-CB 3.5Å; D342-T345 PolarHBondContact O-N 2.83Å |
| 343 | P | 95.5 | Very high | 97.7 | Very high | 122 Ų | 122 | 51.9 Ų | 51.9 | 79% | 0.792 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14 | -177.7 | 26.9 | -35.8 | 0 | 0 | 0 | 114 | ||
| 344 | T | 97 | Very high | 97.7 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 49% | 0.485 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -15.9 | 176.2 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | D342 Q346 | D342-T344 PolarHBondContact O-N 3.09Å; D342-T344 WeakPolarHBondContact OD1-CB 3.2Å; D342-T344 PolarHBondContact OD1-N 3.4Å; D342-T344 PolarHBondContact OD1-OG1 2.96Å; T344-Q346 PolarHBondContact O-N 2.66Å |
| 345 | T | 97.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | trans | -66.8 | 124.1 | 179.2 | -69.9 | 0 | 0 | 0 | 0 | 110.7 | P92 D339 D342 Q347 | P92-T345 HydrophobicContact CG-CG2 4.36Å; D339-T345 WeakPolarHBondContact O-CB 3.29Å; D339-T345 PolarHBondContact O-OG1 2.83Å; D342-T345 WeakPolarHBondContact O-CB 3.5Å; D342-T345 PolarHBondContact O-N 2.83Å; T345-Q347 WeakPolarHBondContact CG2-O 3.4Å | ||
| 346 | Q | 97.3 | Very high | 97.8 | Very high | 86 Ų | 86 | 46 Ų | 46 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -100.4 | -16.4 | 176.8 | -63.3 | 176.5 | -39.7 | 0 | 0 | 112.5 | R335 I336 T344 | R335-Q346 HydrophobicContact CG-CB 3.84Å; R335-Q346 PolarHBondContact NE-O 3.09Å; R335-Q346 PolarHBondContact NH2-O 3.14Å; I336-Q346 VanDerWaalsContact N-OE1 3.11Å; I336-Q346 PolarHBondContact O-N 2.59Å; T344-Q346 PolarHBondContact O-N 2.66Å |
| 347 | Q | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -148.2 | 120 | -177.3 | -168 | 176.2 | -73.9 | 0 | 0 | 111.6 | Q304 R335 I336 M337 G338 T345 I387 | Q304-Q347 HydrophobicContact CB-CG 4.46Å; Q304-Q347 HydrophobicContact CG-CG 3.65Å; R335-Q347 HydrophobicContact CG-CB 4.33Å; I336-Q347 PolarHBondContact O-N 3.34Å; I336-Q347 VanDerWaalsContact O-N 3.12Å; M337-Q347 VanDerWaalsContact CA-O 3.26Å; M337-Q347 WeakPolarHBondContact CA-O 3.36Å; M337-Q347 HydrophobicContact CG-CB 3.98Å; M337-Q347 HydrophobicContact CG-CG 4.38Å; G338-Q347 PolarHBondContact N-O 3.02Å; T345-Q347 WeakPolarHBondContact CG2-O 3.4Å; Q347-I387 PolarHBondContact NE2-O 3.17Å |
| 348 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -88.4 | -161.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G90 Q304 F386 | G90-G348 WeakPolarHBondContact O-CA 3.41Å; Q304-G348 VanDerWaalsContact CD-N 3.34Å; Q304-G348 WeakPolarHBondContact CG-O 3.43Å; Q304-G348 PolarHBondContact NE2-O 3.4Å; G348-F386 WeakPolarHBondContact O-CD1 3.4Å | ||
| 349 | P | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -77.8 | 169.3 | 175.6 | 35.5 | -41.9 | 0 | 0 | 0 | 113.2 | P21 G90 Q304 F386 | P21-P349 VanDerWaalsContact C-CG 3.49Å; P21-P349 HydrophobicContact CB-CB 4.2Å; P21-P349 HydrophobicContact CB-CG 3.69Å; P21-P349 HydrophobicContact CG-CG 3.93Å; P21-P349 VanDerWaalsContact O-CB 3.3Å; P21-P349 WeakPolarHBondContact O-CB 3.16Å; P21-P349 WeakPolarHBondContact O-CG 3.4Å; G90-P349 WeakPolarHBondContact O-CD 3.25Å; Q304-P349 WeakPolarHBondContact CG-O 3.36Å; Q304-P349 PolarHBondContact NE2-O 3.19Å; P349-F386 HydrophobicContact CB-CD1 4.24Å; P349-F386 HydrophobicContact CB-CD2 4.06Å; P349-F386 HydrophobicContact CB-CE1 4.24Å; P349-F386 HydrophobicContact CB-CE2 4.04Å; P349-F386 HydrophobicContact CB-CG 4.16Å; P349-F386 HydrophobicContact CB-CZ 4.14Å; P349-F386 HydrophobicContact CG-CZ 4.33Å | ||
| 350 | Q | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -72.4 | 162.5 | 161.1 | -52.8 | -50.6 | -60.9 | 0 | 0 | 110.4 | P21 D352 K356 I359 Y385 I387 | P21-Q350 VanDerWaalsContact CB-O 3.22Å; P21-Q350 WeakPolarHBondContact CB-O 3.47Å; Q350-D352 PolarHBondContact O-N 3.06Å; Q350-K356 HydrophobicContact CB-CB 4.42Å; Q350-K356 HydrophobicContact CG-CB 4.47Å; Q350-I359 HydrophobicContact CG-CD1 3.78Å; Q350-I359 VanDerWaalsContact OE1-CD1 3.23Å; Q350-Y385 WeakPolarHBondContact CB-O 2.96Å; Q350-Y385 WeakPolarHBondContact CG-O 3.25Å; Q350-Y385 PolarHBondContact N-O 2.83Å; Q350-Y385 WeakPolarHBondContact O-CB 3.34Å; Q350-I387 HydrophobicContact CG-CD1 3.76Å; Q350-I387 HydrophobicContact CG-CG1 3.98Å | ||
| 351 | I | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -64.6 | -38.4 | -172.2 | -171.3 | 59.4 | 0 | 0 | 0 | 114.9 | P21 W147 Q175 T176 H355 | P21-I351 WeakPolarHBondContact CB-O 3.26Å; W147-I351 HydrophobicContact CB-CD1 4.48Å; W147-I351 HydrophobicContact CB-CG1 4.15Å; W147-I351 HydrophobicContact CD2-CB 3.97Å; W147-I351 HydrophobicContact CD2-CG1 3.83Å; W147-I351 HydrophobicContact CD2-CG2 3.7Å; W147-I351 HydrophobicContact CE3-CB 3.47Å; W147-I351 VanDerWaalsContact CE3-CB 3.47Å; W147-I351 HydrophobicContact CE3-CD1 4.23Å; W147-I351 HydrophobicContact CE3-CG1 3.61Å; W147-I351 HydrophobicContact CE3-CG2 3.59Å; W147-I351 HydrophobicContact CG-CG1 4.05Å; W147-I351 HydrophobicContact CG-CG2 4.48Å; W147-I351 HydrophobicContact CH2-CB 4.13Å; W147-I351 HydrophobicContact CH2-CG2 3.52Å; W147-I351 HydrophobicContact CZ2-CG2 3.65Å; W147-I351 HydrophobicContact CZ3-CB 3.57Å; W147-I351 HydrophobicContact CZ3-CG1 4.25Å; W147-I351 HydrophobicContact CZ3-CG2 3.51Å; Q175-I351 HydrophobicContact CB-CD1 4.08Å; Q175-I351 HydrophobicContact CB-CG1 3.75Å; Q175-I351 HydrophobicContact CG-CG1 4.01Å; T176-I351 HydrophobicContact CG2-CD1 3.74Å; I351-H355 HydrophobicContact CG2-CB 4Å |
| 352 | D | 98.1 | Very high | 98 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | trans | -152.1 | 171.3 | -178.1 | 68.6 | 34.3 | 0 | 0 | 0 | 111.8 | Q175 Q350 T354 H355 K356 Y385 | Q175-D352 PolarHBondContact NE2-OD2 3.28Å; Q350-D352 PolarHBondContact O-N 3.06Å; D352-T354 PolarHBondContact OD1-N 2.75Å; D352-T354 VanDerWaalsContact OD1-N 3.1Å; D352-H355 VanDerWaalsContact OD1-CB 3.28Å; D352-H355 WeakPolarHBondContact OD1-CB 3.28Å; D352-H355 PolarHBondContact OD1-N 3.48Å; D352-K356 PolarHBondContact O-N 3.01Å; D352-Y385 VanDerWaalsContact CA-CD2 3.45Å | ||
| 353 | K | 97.4 | Very high | 98.1 | Very high | 122 Ų | 122 | 44.5 Ų | 44.5 | 53% | 0.53 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.4 | -44 | 179.7 | -178.2 | 177.2 | 171.7 | -179.3 | 0 | 112 | H355 K356 E357 Y385 | K353-H355 VanDerWaalsContact C-N 3.34Å; K353-H355 PolarHBondContact O-N 3.06Å; K353-K356 PolarHBondContact O-N 3.16Å; K353-E357 WeakPolarHBondContact CE-OE1 3.47Å; K353-E357 IonicContact NZ-OE1 3.61Å; K353-E357 WeakPolarHBondContact O-CG 3.47Å; K353-E357 PolarHBondContact O-N 3.44Å; K353-Y385 HydrophobicContact CB-CD1 4.18Å; K353-Y385 HydrophobicContact CB-CE1 3.75Å |
| 354 | T | 97.7 | Very high | 98.2 | Very high | 103 Ų | 103 | 42.5 Ų | 42.5 | 63% | 0.632 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.3 | -42.9 | -177.8 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | D352 E357 R358 | D352-T354 PolarHBondContact OD1-N 2.75Å; D352-T354 VanDerWaalsContact OD1-N 3.1Å; T354-E357 PolarHBondContact O-N 3.26Å; T354-R358 WeakPolarHBondContact O-CB 3.34Å; T354-R358 PolarHBondContact O-N 2.92Å |
| 355 | H | 98.3 | Very high | 98.3 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.2 | -41.2 | 177.7 | -168 | 46.2 | 0 | 0 | 0 | 111.6 | W147 Q306 I351 D352 K353 E357 R358 I359 F407 | W147-H355 AromaticContact CH2-CD2 3.76Å; W147-H355 AromaticContact CH2-NE2 3.85Å; Q306-H355 PolarHBondContact OE1-CD2 2.95Å; I351-H355 HydrophobicContact CG2-CB 4Å; D352-H355 VanDerWaalsContact OD1-CB 3.28Å; D352-H355 WeakPolarHBondContact OD1-CB 3.28Å; D352-H355 PolarHBondContact OD1-N 3.48Å; K353-H355 VanDerWaalsContact C-N 3.34Å; K353-H355 PolarHBondContact O-N 3.06Å; H355-E357 PolarHBondContact O-N 3.3Å; H355-R358 WeakPolarHBondContact O-CB 3.37Å; H355-R358 PolarHBondContact O-N 3.01Å; H355-I359 WeakPolarHBondContact NE2-CD1 3.49Å; H355-I359 WeakPolarHBondContact O-CG1 3.21Å; H355-I359 PolarHBondContact O-N 3.25Å; H355-F407 PolarHBondContact CE1-O 3.11Å; H355-F407 AromaticContact NE2-CD1 3.92Å; H355-F407 PolarHBondContact NE2-O 3.3Å |
| 356 | K | 98.2 | Very high | 98.3 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 14% | 0.135 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.1 | -48.7 | 172.4 | 168.8 | 174.2 | 179 | 179.9 | 0 | 112.1 | Q350 D352 K353 R358 I359 L360 S379 G384 Y385 I387 | Q350-K356 HydrophobicContact CB-CB 4.42Å; Q350-K356 HydrophobicContact CG-CB 4.47Å; D352-K356 PolarHBondContact O-N 3.01Å; K353-K356 PolarHBondContact O-N 3.16Å; K356-R358 VanDerWaalsContact C-N 3.34Å; K356-R358 PolarHBondContact O-N 3.47Å; K356-I359 PolarHBondContact O-N 2.89Å; K356-L360 HydrophobicContact CG-CD1 4.1Å; K356-L360 WeakPolarHBondContact O-CG 3.42Å; K356-L360 PolarHBondContact O-N 2.96Å; K356-S379 WeakPolarHBondContact CE-OG 3.48Å; K356-S379 PolarHBondContact NZ-OG 3.3Å; K356-G384 PolarHBondContact NZ-O 3.22Å; K356-Y385 HydrophobicContact CD-CD1 4.45Å; K356-I387 HydrophobicContact CB-CD1 4.34Å; K356-I387 HydrophobicContact CG-CD1 3.99Å; K356-I387 HydrophobicContact CG-CG1 4.01Å |
| 357 | E | 98.2 | Very high | 98.3 | Very high | 100 Ų | 100 | 41 Ų | 41 | 47% | 0.467 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63 | -40.9 | 179.1 | -72.7 | 171.5 | 173.8 | 0 | 0 | 111.7 | K353 T354 H355 I359 L360 N361 | K353-E357 WeakPolarHBondContact CE-OE1 3.47Å; K353-E357 IonicContact NZ-OE1 3.61Å; K353-E357 WeakPolarHBondContact O-CG 3.47Å; K353-E357 PolarHBondContact O-N 3.44Å; T354-E357 PolarHBondContact O-N 3.26Å; H355-E357 PolarHBondContact O-N 3.3Å; E357-I359 PolarHBondContact O-N 3.44Å; E357-L360 PolarHBondContact O-N 3.17Å; E357-N361 WeakPolarHBondContact O-CB 3.45Å; E357-N361 PolarHBondContact O-N 3.36Å |
| 358 | R | 98.4 | Very high | 98.3 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 174.2 | 178.9 | 177.1 | 173.1 | -111.8 | -8.3 | 111.9 | T354 H355 K356 N361 F362 E405 | T354-R358 WeakPolarHBondContact O-CB 3.34Å; T354-R358 PolarHBondContact O-N 2.92Å; H355-R358 WeakPolarHBondContact O-CB 3.37Å; H355-R358 PolarHBondContact O-N 3.01Å; K356-R358 VanDerWaalsContact C-N 3.34Å; K356-R358 PolarHBondContact O-N 3.47Å; R358-N361 WeakPolarHBondContact O-CB 3.14Å; R358-N361 PolarHBondContact O-N 2.81Å; R358-F362 HydrophobicContact CG-CD2 4.15Å; R358-F362 HydrophobicContact CG-CE2 3.88Å; R358-F362 VanDerWaalsContact O-CD2 3.29Å; R358-F362 WeakPolarHBondContact O-CD2 3.38Å; R358-F362 PolarHBondContact O-N 3.11Å; R358-F362 VanDerWaalsContact O-N 3.1Å; R358-E405 PolarHBondContact NH2-O 3.01Å |
| 359 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 178.1 | -67.1 | 160.3 | 0 | 0 | 0 | 111 | Q350 H355 K356 E357 N361 F362 I363 I387 I406 V410 | Q350-I359 HydrophobicContact CG-CD1 3.78Å; Q350-I359 VanDerWaalsContact OE1-CD1 3.23Å; H355-I359 WeakPolarHBondContact NE2-CD1 3.49Å; H355-I359 WeakPolarHBondContact O-CG1 3.21Å; H355-I359 PolarHBondContact O-N 3.25Å; K356-I359 PolarHBondContact O-N 2.89Å; E357-I359 PolarHBondContact O-N 3.44Å; I359-N361 VanDerWaalsContact C-N 3.27Å; I359-N361 PolarHBondContact O-N 3Å; I359-F362 WeakPolarHBondContact O-CB 3.36Å; I359-F362 PolarHBondContact O-N 3.48Å; I359-F362 VanDerWaalsContact O-N 3.14Å; I359-I363 HydrophobicContact CG2-CD1 3.99Å; I359-I363 WeakPolarHBondContact O-CG1 3.16Å; I359-I363 PolarHBondContact O-N 2.83Å; I359-I387 HydrophobicContact CB-CD1 3.57Å; I359-I387 HydrophobicContact CD1-CD1 3.88Å; I359-I387 HydrophobicContact CG1-CD1 4.35Å; I359-I387 HydrophobicContact CG2-CD1 3.48Å; I359-I387 VanDerWaalsContact CG2-CD1 3.48Å; I359-I387 HydrophobicContact CG2-CG2 4.46Å; I359-I406 HydrophobicContact CB-CG2 4.34Å; I359-I406 HydrophobicContact CG1-CG2 4.08Å; I359-I406 HydrophobicContact CG2-CG2 3.98Å; I359-V410 HydrophobicContact CG2-CG2 3.85Å |
| 360 | L | 98.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.199 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 178 | -68.2 | 171.5 | 0 | 0 | 0 | 111.6 | K356 E357 I363 E364 I387 | K356-L360 HydrophobicContact CG-CD1 4.1Å; K356-L360 WeakPolarHBondContact O-CG 3.42Å; K356-L360 PolarHBondContact O-N 2.96Å; E357-L360 PolarHBondContact O-N 3.17Å; L360-I363 HydrophobicContact CD2-CD1 4.37Å; L360-I363 WeakPolarHBondContact O-CB 3.25Å; L360-I363 PolarHBondContact O-N 3.05Å; L360-E364 PolarHBondContact O-N 2.86Å; L360-I387 HydrophobicContact CD2-CD1 4.46Å; L360-I387 HydrophobicContact CG-CD1 4.27Å |
| 361 | N | 98.6 | Very high | 98.2 | Very high | 84 Ų | 84 | 55.3 Ų | 55.3 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 174.3 | -175 | 48.6 | 0 | 0 | 0 | 112.5 | E357 R358 I359 I363 E364 K365 | E357-N361 WeakPolarHBondContact O-CB 3.45Å; E357-N361 PolarHBondContact O-N 3.36Å; R358-N361 WeakPolarHBondContact O-CB 3.14Å; R358-N361 PolarHBondContact O-N 2.81Å; I359-N361 VanDerWaalsContact C-N 3.27Å; I359-N361 PolarHBondContact O-N 3Å; N361-I363 VanDerWaalsContact C-N 3.32Å; N361-I363 PolarHBondContact O-N 3.01Å; N361-E364 PolarHBondContact O-N 2.85Å; N361-K365 WeakPolarHBondContact O-CG 3.29Å; N361-K365 PolarHBondContact O-N 2.84Å |
| 362 | F | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -40 | 173.2 | -84.2 | -67.3 | 0 | 0 | 0 | 112.5 | R358 I359 K365 G366 I400 V401 E404 I406 | R358-F362 HydrophobicContact CG-CD2 4.15Å; R358-F362 HydrophobicContact CG-CE2 3.88Å; R358-F362 VanDerWaalsContact O-CD2 3.29Å; R358-F362 WeakPolarHBondContact O-CD2 3.38Å; R358-F362 PolarHBondContact O-N 3.11Å; R358-F362 VanDerWaalsContact O-N 3.1Å; I359-F362 WeakPolarHBondContact O-CB 3.36Å; I359-F362 PolarHBondContact O-N 3.48Å; I359-F362 VanDerWaalsContact O-N 3.14Å; F362-K365 PolarHBondContact O-N 3.48Å; F362-G366 PolarHBondContact O-N 2.9Å; F362-I400 HydrophobicContact CD1-CD1 4.17Å; F362-I400 HydrophobicContact CD1-CG1 4.29Å; F362-I400 HydrophobicContact CD1-CG2 4.43Å; F362-I400 HydrophobicContact CE1-CD1 3.77Å; F362-I400 HydrophobicContact CE1-CG1 3.93Å; F362-V401 WeakPolarHBondContact O-CG1 3.48Å; F362-E404 HydrophobicContact CE1-CB 3.72Å; F362-E404 HydrophobicContact CE1-CG 4.45Å; F362-E404 WeakPolarHBondContact CE1-OE2 3.47Å; F362-E404 HydrophobicContact CZ-CB 4.02Å; F362-E404 VanDerWaalsContact CZ-OE2 3.29Å; F362-E404 WeakPolarHBondContact CZ-OE2 3.42Å; F362-I406 HydrophobicContact CB-CD1 4.24Å; F362-I406 HydrophobicContact CB-CG1 3.99Å; F362-I406 HydrophobicContact CB-CG2 4.12Å; F362-I406 HydrophobicContact CD1-CG1 4.22Å; F362-I406 HydrophobicContact CD2-CB 4.38Å; F362-I406 HydrophobicContact CD2-CG1 4.23Å; F362-I406 HydrophobicContact CD2-CG2 4.19Å; F362-I406 HydrophobicContact CG-CG1 3.91Å; F362-I406 HydrophobicContact CG-CG2 4.38Å |
| 363 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -45.7 | 176.1 | -69.3 | 164.4 | 0 | 0 | 0 | 110.3 | I359 L360 N361 G366 K367 I387 T390 F392 V410 | I359-I363 HydrophobicContact CG2-CD1 3.99Å; I359-I363 WeakPolarHBondContact O-CG1 3.16Å; I359-I363 PolarHBondContact O-N 2.83Å; L360-I363 HydrophobicContact CD2-CD1 4.37Å; L360-I363 WeakPolarHBondContact O-CB 3.25Å; L360-I363 PolarHBondContact O-N 3.05Å; N361-I363 VanDerWaalsContact C-N 3.32Å; N361-I363 PolarHBondContact O-N 3.01Å; I363-G366 PolarHBondContact O-N 3.2Å; I363-K367 WeakPolarHBondContact O-CG 3.32Å; I363-K367 PolarHBondContact O-N 2.96Å; I363-K367 VanDerWaalsContact O-N 3.13Å; I363-I387 HydrophobicContact CD1-CG2 4.33Å; I363-T390 HydrophobicContact CD1-CG2 4.36Å; I363-T390 HydrophobicContact CG1-CG2 4.34Å; I363-F392 HydrophobicContact CG1-CE2 4.46Å; I363-F392 HydrophobicContact CG2-CE2 4.41Å; I363-F392 HydrophobicContact CG2-CZ 4.14Å; I363-F392 WeakPolarHBondContact O-CZ 3.31Å; I363-V410 HydrophobicContact CD1-CG2 3.92Å; I363-V410 HydrophobicContact CG1-CG1 4.24Å; I363-V410 HydrophobicContact CG1-CG2 3.95Å |
| 364 | E | 98.6 | Very high | 98.3 | Very high | 80 Ų | 80 | 58 Ų | 58 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 177.3 | -68.5 | -49.6 | 128.1 | 0 | 0 | 112.4 | L360 N361 G366 K367 Q368 | L360-E364 PolarHBondContact O-N 2.86Å; N361-E364 PolarHBondContact O-N 2.85Å; E364-G366 VanDerWaalsContact C-N 3.33Å; E364-G366 PolarHBondContact O-N 2.83Å; E364-K367 WeakPolarHBondContact O-CB 2.96Å; E364-K367 PolarHBondContact O-N 3.3Å; E364-K367 IonicContact OE1-NZ 3.57Å; E364-K367 PolarHBondContact OE1-NZ 2.99Å; E364-K367 IonicContact OE2-NZ 3.94Å; E364-Q368 WeakPolarHBondContact O-CG 3.13Å; E364-Q368 PolarHBondContact O-N 3.07Å |
| 365 | K | 98.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 175 | -68 | 178.5 | 178.9 | -177 | 0 | 112.2 | N361 F362 K367 Q368 E369 I400 | N361-K365 WeakPolarHBondContact O-CG 3.29Å; N361-K365 PolarHBondContact O-N 2.84Å; F362-K365 PolarHBondContact O-N 3.48Å; K365-K367 VanDerWaalsContact C-N 3.31Å; K365-K367 PolarHBondContact O-N 3.31Å; K365-Q368 WeakPolarHBondContact O-CB 3.16Å; K365-Q368 PolarHBondContact O-N 3.49Å; K365-Q368 VanDerWaalsContact O-N 3.11Å; K365-E369 WeakPolarHBondContact O-CG 3.22Å; K365-E369 PolarHBondContact O-N 3.39Å; K365-I400 HydrophobicContact CB-CG2 3.66Å; K365-I400 HydrophobicContact CD-CD1 3.61Å; K365-I400 HydrophobicContact CD-CG2 4.19Å |
| 366 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | F362 I363 E364 E369 G370 A371 | F362-G366 PolarHBondContact O-N 2.9Å; I363-G366 PolarHBondContact O-N 3.2Å; E364-G366 VanDerWaalsContact C-N 3.33Å; E364-G366 PolarHBondContact O-N 2.83Å; G366-E369 PolarHBondContact O-N 2.94Å; G366-G370 PolarHBondContact O-N 2.79Å; G366-A371 VanDerWaalsContact O-CB 3.25Å; G366-A371 WeakPolarHBondContact O-CB 3.35Å; G366-A371 PolarHBondContact O-N 3.46Å |
| 367 | K | 98 | Very high | 98.3 | Very high | 72 Ų | 72 | 53 Ų | 53 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 173.6 | -64.2 | 168 | -176.2 | 168.6 | 0 | 111.9 | I363 E364 K365 E369 G370 L373 F392 | I363-K367 WeakPolarHBondContact O-CG 3.32Å; I363-K367 PolarHBondContact O-N 2.96Å; I363-K367 VanDerWaalsContact O-N 3.13Å; E364-K367 WeakPolarHBondContact O-CB 2.96Å; E364-K367 PolarHBondContact O-N 3.3Å; E364-K367 IonicContact OE1-NZ 3.57Å; E364-K367 PolarHBondContact OE1-NZ 2.99Å; E364-K367 IonicContact OE2-NZ 3.94Å; K365-K367 VanDerWaalsContact C-N 3.31Å; K365-K367 PolarHBondContact O-N 3.31Å; K367-E369 VanDerWaalsContact C-N 3.31Å; K367-E369 PolarHBondContact O-N 3.35Å; K367-G370 PolarHBondContact O-N 3.34Å; K367-L373 HydrophobicContact CD-CD2 4.47Å; K367-L373 HydrophobicContact CG-CB 4.46Å; K367-F392 HydrophobicContact CG-CE1 4.15Å; K367-F392 HydrophobicContact CG-CZ 4.25Å |
| 368 | Q | 98.1 | Very high | 98.3 | Very high | 153 Ų | 153 | 51.2 Ų | 51.2 | 72% | 0.715 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.7 | -35 | -178.4 | -71 | 169.5 | 5.4 | 0 | 0 | 112.6 | E364 K365 G370 | E364-Q368 WeakPolarHBondContact O-CG 3.13Å; E364-Q368 PolarHBondContact O-N 3.07Å; K365-Q368 WeakPolarHBondContact O-CB 3.16Å; K365-Q368 PolarHBondContact O-N 3.49Å; K365-Q368 VanDerWaalsContact O-N 3.11Å; Q368-G370 VanDerWaalsContact C-N 3.26Å; Q368-G370 PolarHBondContact O-N 3.48Å |
| 369 | E | 98.1 | Very high | 98.2 | Very high | 89 Ų | 89 | 48.5 Ų | 48.5 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.4 | 178.4 | -67.6 | 176 | 176.4 | 0 | 0 | 113.5 | K365 G366 K367 M399 I400 | K365-E369 WeakPolarHBondContact O-CG 3.22Å; K365-E369 PolarHBondContact O-N 3.39Å; G366-E369 PolarHBondContact O-N 2.94Å; K367-E369 VanDerWaalsContact C-N 3.31Å; K367-E369 PolarHBondContact O-N 3.35Å; E369-M399 HydrophobicContact CB-CG 4.14Å; E369-M399 WeakPolarHBondContact O-CE 3.39Å; E369-M399 WeakPolarHBondContact OE2-CA 3.13Å; E369-M399 WeakPolarHBondContact OE2-CB 3.49Å; E369-I400 WeakPolarHBondContact OE2-CG2 3.26Å; E369-I400 PolarHBondContact OE2-N 2.94Å |
| 370 | G | 97.5 | Very high | 98.2 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 55% | 0.546 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | 7.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G366 K367 Q368 K372 | G366-G370 PolarHBondContact O-N 2.79Å; K367-G370 PolarHBondContact O-N 3.34Å; Q368-G370 VanDerWaalsContact C-N 3.26Å; Q368-G370 PolarHBondContact O-N 3.48Å; G370-K372 PolarHBondContact O-N 3.27Å |
| 371 | A | 98 | Very high | 97.9 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | trans | -65 | 133.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G366 L373 F392 V395 M399 V401 | G366-A371 VanDerWaalsContact O-CB 3.25Å; G366-A371 WeakPolarHBondContact O-CB 3.35Å; G366-A371 PolarHBondContact O-N 3.46Å; A371-L373 PolarHBondContact O-N 3.46Å; A371-F392 HydrophobicContact CB-CB 4.33Å; A371-F392 HydrophobicContact CB-CD1 3.54Å; A371-F392 HydrophobicContact CB-CE1 4.03Å; A371-F392 HydrophobicContact CB-CG 4.09Å; A371-V395 HydrophobicContact CB-CG2 4.18Å; A371-M399 HydrophobicContact CB-CE 4.43Å; A371-M399 HydrophobicContact CB-SD 3.87Å; A371-V401 HydrophobicContact CB-CG2 4.33Å | ||
| 372 | K | 98.4 | Very high | 97.6 | Very high | 116 Ų | 116 | 58.2 Ų | 58.2 | 50% | 0.504 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 104.1 | -175.2 | -172.2 | -177.9 | 178.7 | -175.2 | 0 | 110.7 | G370 L374 F392 A393 D394 | G370-K372 PolarHBondContact O-N 3.27Å; K372-L374 HydrophobicContact CD-CD2 3.84Å; K372-L374 HydrophobicContact CG-CD2 3.84Å; K372-L374 PolarHBondContact O-N 2.81Å; K372-F392 WeakPolarHBondContact O-CA 3.31Å; K372-A393 WeakPolarHBondContact CB-O 3.45Å; K372-A393 PolarHBondContact N-O 3.05Å; K372-A393 PolarHBondContact O-N 3.41Å; K372-D394 WeakPolarHBondContact CD-OD2 3.27Å |
| 373 | L | 98.6 | Very high | 97.4 | Very high | 58 Ų | 58 | 64.8 Ų | 64.8 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 119.8 | 174 | -179.3 | 66.5 | 0 | 0 | 0 | 110.5 | K367 A371 C375 T390 F392 | K367-L373 HydrophobicContact CD-CD2 4.47Å; K367-L373 HydrophobicContact CG-CB 4.46Å; A371-L373 PolarHBondContact O-N 3.46Å; L373-C375 VanDerWaalsContact CD1-O 3.3Å; L373-C375 WeakPolarHBondContact CD1-O 3.35Å; L373-T390 HydrophobicContact CD1-CG2 3.53Å; L373-F392 HydrophobicContact CB-CD1 4.07Å; L373-F392 HydrophobicContact CB-CE1 3.66Å; L373-F392 HydrophobicContact CB-CZ 4.4Å; L373-F392 HydrophobicContact CD1-CD1 4.34Å; L373-F392 HydrophobicContact CD1-CE1 4Å; L373-F392 HydrophobicContact CD1-CE2 4.43Å; L373-F392 HydrophobicContact CD1-CZ 4.04Å; L373-F392 HydrophobicContact CG-CE1 4.41Å |
| 374 | L | 98.5 | Very high | 97.3 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -33.1 | -178.6 | -60.3 | -179.2 | 0 | 0 | 0 | 113.9 | V325 V329 K372 V391 A393 | V325-L374 HydrophobicContact CG1-CD1 3.23Å; V329-L374 HydrophobicContact CG2-CB 3.54Å; V329-L374 HydrophobicContact CG2-CD1 3.65Å; V329-L374 HydrophobicContact CG2-CG 4.26Å; K372-L374 HydrophobicContact CD-CD2 3.84Å; K372-L374 HydrophobicContact CG-CD2 3.84Å; K372-L374 PolarHBondContact O-N 2.81Å; L374-V391 HydrophobicContact CD1-CG1 4.44Å; L374-V391 PolarHBondContact N-O 3.23Å; L374-A393 HydrophobicContact CD1-CB 3.51Å; L374-A393 HydrophobicContact CG-CB 4.1Å |
| 375 | C | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 63.4 Ų | 63.4 | 8% | 0.081 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 165.2 | 174.2 | 69.8 | 0 | 0 | 0 | 0 | 112 | V329 K333 L373 T390 V391 | V329-C375 HydrophobicContact CG1-CB 4.11Å; K333-C375 HydrophobicContact CD-CB 4.39Å; K333-C375 HydrophobicContact CG-CB 3.96Å; L373-C375 VanDerWaalsContact CD1-O 3.3Å; L373-C375 WeakPolarHBondContact CD1-O 3.35Å; C375-T390 WeakPolarHBondContact O-CA 3.45Å; C375-V391 PolarHBondContact O-N 3.01Å |
| 376 | G | 98.2 | Very high | 97.3 | Very high | 26 Ų | 26 | 60.6 Ų | 60.6 | 27% | 0.268 | 33% | 0.33 | S | S | . | . | trans | 78.2 | -126.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T378 P389 | G376-T378 VanDerWaalsContact C-N 3.27Å; G376-T378 PolarHBondContact O-N 2.71Å; G376-T378 PolarHBondContact O-OG1 2.84Å; G376-P389 WeakPolarHBondContact CA-O 3.34Å | ||
| 377 | G | 97.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | trans | 73.9 | 11.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T390 | G377-T390 PolarHBondContact N-OG1 3.14Š| ||
| 378 | T | 97.9 | Very high | 97.3 | Very high | 63 Ų | 63 | 60.9 Ų | 60.9 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -146.9 | 163.7 | -173.3 | 48.5 | 0 | 0 | 0 | 0 | 111.5 | G376 K388 | G376-T378 VanDerWaalsContact C-N 3.27Å; G376-T378 PolarHBondContact O-N 2.71Å; G376-T378 PolarHBondContact O-OG1 2.84Å; T378-K388 PolarHBondContact O-N 3.4Å; T378-K388 WeakPolarHBondContact OG1-CD 3.42Å; T378-K388 PolarHBondContact OG1-NZ 3.06Å |
| 379 | S | 97.5 | Very high | 97.3 | Very high | 45 Ų | 45 | 54 Ų | 54 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -65.3 | 164.5 | 168.9 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | K356 F386 K388 | K356-S379 WeakPolarHBondContact CE-OG 3.48Å; K356-S379 PolarHBondContact NZ-OG 3.3Å; S379-F386 WeakPolarHBondContact CA-O 3.49Å; S379-K388 WeakPolarHBondContact O-CE 3.07Å |
| 380 | W | 97.6 | Very high | 97.4 | Very high | 101 Ų | 101 | 49.7 Ų | 49.7 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | trans | -132.4 | 141.3 | 172.2 | -178.4 | 89.5 | 0 | 0 | 0 | 110.9 | M337 F386 K388 | M337-W380 HydrophobicContact CB-CD2 4.4Å; M337-W380 HydrophobicContact CB-CE3 4.31Å; M337-W380 HydrophobicContact CB-CZ3 4.42Å; M337-W380 HydrophobicContact CE-CB 3.77Å; M337-W380 HydrophobicContact CE-CD2 3.77Å; M337-W380 HydrophobicContact CE-CG 3.34Å; M337-W380 HydrophobicContact SD-CB 4.15Å; M337-W380 HydrophobicContact SD-CD2 4.49Å; M337-W380 HydrophobicContact SD-CG 4.2Å; W380-F386 HydrophobicContact CB-CB 4.15Å; W380-F386 HydrophobicContact CE3-CB 4.09Å; W380-F386 HydrophobicContact CE3-CD1 4.13Å; W380-F386 HydrophobicContact CE3-CD2 4.32Å; W380-F386 AromaticContact CE3-CG 3.94Å; W380-F386 HydrophobicContact CE3-CG 3.94Å; W380-F386 HydrophobicContact CZ3-CD1 4.42Å; W380-F386 HydrophobicContact CZ3-CE1 4.49Å; W380-F386 HydrophobicContact CZ3-CG 4.45Å; W380-F386 PolarHBondContact N-O 3.25Å; W380-F386 WeakPolarHBondContact O-CB 3.3Å; W380-K388 HydrophobicContact CB-CG 3.97Å | ||
| 381 | G | 93.6 | Very high | 97.4 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 69.5 | 171.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 382 | D | 91.4 | Very high | 97.5 | Very high | 178 Ų | 178 | 46.9 Ų | 46.9 | 95% | 0.952 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -97 | -11.1 | -178.7 | -58.7 | -38.8 | 0 | 0 | 0 | 113.2 | ||
| 383 | K | 93.5 | Very high | 97.5 | Very high | 147 Ų | 147 | 41.5 Ų | 41.5 | 64% | 0.639 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -127.6 | 156.2 | 179.9 | -67.7 | -169.9 | 177.9 | -171.4 | 0 | 111.2 | ||
| 384 | G | 96.7 | Very high | 97.4 | Very high | 12 Ų | 12 | 42 Ų | 42 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 68.6 | -177.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P21 T22 K356 F386 | P21-G384 CarbonylContact O-C 3.5Å; P21-G384 WeakPolarHBondContact O-CA 3.39Å; T22-G384 WeakPolarHBondContact O-CA 3.31Å; T22-G384 PolarHBondContact O-N 2.99Å; K356-G384 PolarHBondContact NZ-O 3.22Å; G384-F386 PolarHBondContact O-N 3.37Å |
| 385 | Y | 98.3 | Very high | 97.4 | Very high | 39 Ų | 39 | 40 Ų | 40 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -104.2 | 40.9 | -170.3 | -47.7 | -50.3 | 0 | 0 | 0 | 113.1 | P21 Q350 D352 K353 K356 | P21-Y385 HydrophobicContact CB-CD2 3.74Å; P21-Y385 HydrophobicContact CB-CE2 4.21Å; P21-Y385 PolarHBondContact O-N 2.91Å; Q350-Y385 WeakPolarHBondContact CB-O 2.96Å; Q350-Y385 WeakPolarHBondContact CG-O 3.25Å; Q350-Y385 PolarHBondContact N-O 2.83Å; Q350-Y385 WeakPolarHBondContact O-CB 3.34Å; D352-Y385 VanDerWaalsContact CA-CD2 3.45Å; K353-Y385 HydrophobicContact CB-CD1 4.18Å; K353-Y385 HydrophobicContact CB-CE1 3.75Å; K356-Y385 HydrophobicContact CD-CD1 4.45Å |
| 386 | F | 98.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | trans | -74.2 | 143.5 | -178.8 | -64 | -94.2 | 0 | 0 | 0 | 113.7 | T22 M337 G338 G348 P349 S379 W380 G384 | T22-F386 HydrophobicContact CG2-CE2 4.27Å; T22-F386 HydrophobicContact CG2-CZ 4.03Å; M337-F386 HydrophobicContact CB-CD1 4.47Å; G338-F386 WeakPolarHBondContact O-CE1 3.25Å; G338-F386 WeakPolarHBondContact O-CZ 3.45Å; G348-F386 WeakPolarHBondContact O-CD1 3.4Å; P349-F386 HydrophobicContact CB-CD1 4.24Å; P349-F386 HydrophobicContact CB-CD2 4.06Å; P349-F386 HydrophobicContact CB-CE1 4.24Å; P349-F386 HydrophobicContact CB-CE2 4.04Å; P349-F386 HydrophobicContact CB-CG 4.16Å; P349-F386 HydrophobicContact CB-CZ 4.14Å; P349-F386 HydrophobicContact CG-CZ 4.33Å; S379-F386 WeakPolarHBondContact CA-O 3.49Å; W380-F386 HydrophobicContact CB-CB 4.15Å; W380-F386 HydrophobicContact CE3-CB 4.09Å; W380-F386 HydrophobicContact CE3-CD1 4.13Å; W380-F386 HydrophobicContact CE3-CD2 4.32Å; W380-F386 AromaticContact CE3-CG 3.94Å; W380-F386 HydrophobicContact CE3-CG 3.94Å; W380-F386 HydrophobicContact CZ3-CD1 4.42Å; W380-F386 HydrophobicContact CZ3-CE1 4.49Å; W380-F386 HydrophobicContact CZ3-CG 4.45Å; W380-F386 PolarHBondContact N-O 3.25Å; W380-F386 WeakPolarHBondContact O-CB 3.3Å; G384-F386 PolarHBondContact O-N 3.37Å | ||
| 387 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -132.4 | 134.8 | 171.8 | -60.7 | -179.1 | 0 | 0 | 0 | 107.9 | Q347 Q350 K356 I359 L360 I363 P409 | Q347-I387 PolarHBondContact NE2-O 3.17Å; Q350-I387 HydrophobicContact CG-CD1 3.76Å; Q350-I387 HydrophobicContact CG-CG1 3.98Å; K356-I387 HydrophobicContact CB-CD1 4.34Å; K356-I387 HydrophobicContact CG-CD1 3.99Å; K356-I387 HydrophobicContact CG-CG1 4.01Å; I359-I387 HydrophobicContact CB-CD1 3.57Å; I359-I387 HydrophobicContact CD1-CD1 3.88Å; I359-I387 HydrophobicContact CG1-CD1 4.35Å; I359-I387 HydrophobicContact CG2-CD1 3.48Å; I359-I387 VanDerWaalsContact CG2-CD1 3.48Å; I359-I387 HydrophobicContact CG2-CG2 4.46Å; L360-I387 HydrophobicContact CD2-CD1 4.46Å; L360-I387 HydrophobicContact CG-CD1 4.27Å; I363-I387 HydrophobicContact CD1-CG2 4.33Å; I387-P409 HydrophobicContact CB-CG 4.15Å; I387-P409 HydrophobicContact CG2-CG 4.15Å |
| 388 | K | 98.5 | Very high | 97 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 34% | 0.335 | 28% | 0.275 | S | S | . | . | trans | -64.9 | 143.3 | 178.1 | -64.6 | -176.1 | -174.8 | 160.5 | 0 | 111.3 | M337 T378 S379 W380 T390 | M337-K388 HydrophobicContact CE-CG 4.11Å; T378-K388 PolarHBondContact O-N 3.4Å; T378-K388 WeakPolarHBondContact OG1-CD 3.42Å; T378-K388 PolarHBondContact OG1-NZ 3.06Å; S379-K388 WeakPolarHBondContact O-CE 3.07Å; W380-K388 HydrophobicContact CB-CG 3.97Å; K388-T390 PolarHBondContact O-N 3.26Å; K388-T390 VanDerWaalsContact O-N 3.12Å; K388-T390 PolarHBondContact O-OG1 3.25Å | ||
| 389 | P | 98.6 | Very high | 97 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | trans | -51.9 | 119.9 | 168.8 | -22.3 | 31.3 | 0 | 0 | 0 | 110.4 | F301 A332 R335 G376 | F301-P389 HydrophobicContact CD1-CB 3.99Å; F301-P389 HydrophobicContact CE1-CB 3.59Å; F301-P389 HydrophobicContact CZ-CB 4.06Å; A332-P389 HydrophobicContact CB-CB 4.02Å; A332-P389 WeakPolarHBondContact O-CB 3.49Å; A332-P389 WeakPolarHBondContact O-CG 3.34Å; R335-P389 HydrophobicContact CB-CG 4.01Å; R335-P389 HydrophobicContact CG-CG 4.47Å; G376-P389 WeakPolarHBondContact CA-O 3.34Å | ||
| 390 | T | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134 | -170.7 | -59.2 | 0 | 0 | 0 | 0 | 110 | I363 L373 C375 G377 K388 F392 P409 V410 M411 | I363-T390 HydrophobicContact CD1-CG2 4.36Å; I363-T390 HydrophobicContact CG1-CG2 4.34Å; L373-T390 HydrophobicContact CD1-CG2 3.53Å; C375-T390 WeakPolarHBondContact O-CA 3.45Å; G377-T390 PolarHBondContact N-OG1 3.14Å; K388-T390 PolarHBondContact O-N 3.26Å; K388-T390 VanDerWaalsContact O-N 3.12Å; K388-T390 PolarHBondContact O-OG1 3.25Å; T390-F392 HydrophobicContact CG2-CD2 4.35Å; T390-F392 HydrophobicContact CG2-CE2 4.12Å; T390-P409 PolarHBondContact N-O 3Å; T390-V410 HydrophobicContact CG2-CG1 3.86Å; T390-V410 CarbonylContact O-C 3.55Å; T390-V410 WeakPolarHBondContact O-CA 3.38Å; T390-M411 PolarHBondContact O-N 3.4Å |
| 391 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 120.8 | 177.2 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | F301 V329 A332 L374 C375 M411 I413 | F301-V391 HydrophobicContact CZ-CG2 4.31Å; V329-V391 HydrophobicContact CG2-CB 4.49Å; V329-V391 HydrophobicContact CG2-CG1 4.32Å; A332-V391 HydrophobicContact CB-CG2 3.73Å; L374-V391 HydrophobicContact CD1-CG1 4.44Å; L374-V391 PolarHBondContact N-O 3.23Å; C375-V391 PolarHBondContact O-N 3.01Å; V391-M411 HydrophobicContact CG2-CB 4.24Å; V391-I413 HydrophobicContact CG1-CD1 3.63Å; V391-I413 HydrophobicContact CG1-CG1 4.29Å |
| 392 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.2 | 165.8 | -76.6 | -74.2 | 0 | 0 | 0 | 109.9 | I363 K367 A371 K372 L373 T390 V395 V410 M411 I413 | I363-F392 HydrophobicContact CG1-CE2 4.46Å; I363-F392 HydrophobicContact CG2-CE2 4.41Å; I363-F392 HydrophobicContact CG2-CZ 4.14Å; I363-F392 WeakPolarHBondContact O-CZ 3.31Å; K367-F392 HydrophobicContact CG-CE1 4.15Å; K367-F392 HydrophobicContact CG-CZ 4.25Å; A371-F392 HydrophobicContact CB-CB 4.33Å; A371-F392 HydrophobicContact CB-CD1 3.54Å; A371-F392 HydrophobicContact CB-CE1 4.03Å; A371-F392 HydrophobicContact CB-CG 4.09Å; K372-F392 WeakPolarHBondContact O-CA 3.31Å; L373-F392 HydrophobicContact CB-CD1 4.07Å; L373-F392 HydrophobicContact CB-CE1 3.66Å; L373-F392 HydrophobicContact CB-CZ 4.4Å; L373-F392 HydrophobicContact CD1-CD1 4.34Å; L373-F392 HydrophobicContact CD1-CE1 4Å; L373-F392 HydrophobicContact CD1-CE2 4.43Å; L373-F392 HydrophobicContact CD1-CZ 4.04Å; L373-F392 HydrophobicContact CG-CE1 4.41Å; T390-F392 HydrophobicContact CG2-CD2 4.35Å; T390-F392 HydrophobicContact CG2-CE2 4.12Å; F392-V395 HydrophobicContact CB-CG2 3.63Å; F392-V410 HydrophobicContact CD2-CG1 3.81Å; F392-V410 HydrophobicContact CE2-CG1 3.91Å; F392-M411 PolarHBondContact N-O 3.11Å; F392-I413 PolarHBondContact O-N 3.28Å |
| 393 | A | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 170 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V325 K372 L374 V395 | V325-A393 HydrophobicContact CG1-CB 4.21Å; V325-A393 HydrophobicContact CG2-CB 4.34Å; K372-A393 WeakPolarHBondContact CB-O 3.45Å; K372-A393 PolarHBondContact N-O 3.05Å; K372-A393 PolarHBondContact O-N 3.41Å; L374-A393 HydrophobicContact CD1-CB 3.51Å; L374-A393 HydrophobicContact CG-CB 4.1Å; A393-V395 PolarHBondContact O-N 2.86Å |
| 394 | D | 96.6 | Very high | 97.8 | Very high | 69 Ų | 69 | 30 Ų | 30 | 37% | 0.369 | 16% | 0.162 | S | C | . | . | S | Bend | trans | 57.4 | 32.8 | 177.9 | -50.1 | -34.7 | 0 | 0 | 0 | 111.5 | Y321 K372 I413 | Y321-D394 WeakPolarHBondContact OH-CA 3.33Å; Y321-D394 PolarHBondContact OH-N 3.3Å; Y321-D394 PolarHBondContact OH-OD1 2.6Å; K372-D394 WeakPolarHBondContact CD-OD2 3.27Å; D394-I413 PolarHBondContact N-O 3.26Å |
| 395 | V | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | trans | -75 | 132 | 176.6 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | A371 F392 A393 M399 V401 A402 Q412 I413 M414 | A371-V395 HydrophobicContact CB-CG2 4.18Å; F392-V395 HydrophobicContact CB-CG2 3.63Å; A393-V395 PolarHBondContact O-N 2.86Å; V395-M399 HydrophobicContact CB-SD 4.48Å; V395-M399 HydrophobicContact CG1-SD 3.98Å; V395-V401 HydrophobicContact CG1-CG2 4.06Å; V395-A402 HydrophobicContact CG1-CB 3.78Å; V395-Q412 HydrophobicContact CB-CB 4.22Å; V395-Q412 HydrophobicContact CG1-CB 4.13Å; V395-Q412 HydrophobicContact CG1-CG 4.27Å; V395-Q412 HydrophobicContact CG2-CB 3.89Å; V395-Q412 HydrophobicContact CG2-CG 4.17Å; V395-I413 PolarHBondContact N-O 2.99Å; V395-M414 HydrophobicContact CB-CE 4.3Å; V395-M414 HydrophobicContact CB-CG 4.08Å; V395-M414 HydrophobicContact CG1-CE 3.76Å; V395-M414 HydrophobicContact CG1-CG 4.49Å; V395-M414 WeakPolarHBondContact O-CG 3.46Å | ||
| 396 | V | 96.5 | Very high | 97.9 | Very high | 84 Ų | 84 | 28.7 Ų | 28.7 | 51% | 0.509 | 15% | 0.154 | S | C | . | . | trans | -130.2 | 154.7 | 178 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | M399 | V396-M399 HydrophobicContact CG2-CE 3.6Å; V396-M399 HydrophobicContact CG2-CG 4.37Å; V396-M399 HydrophobicContact CG2-SD 4.07Å; V396-M399 PolarHBondContact N-SD 3.34Å; V396-M399 VanDerWaalsContact N-SD 3.45Å; V396-M399 VanDerWaalsContact O-CB 3.23Å; V396-M399 WeakPolarHBondContact O-CB 3.15Å; V396-M399 WeakPolarHBondContact O-CG 3.26Å; V396-M399 PolarHBondContact O-N 3.44Å | ||
| 397 | D | 94.7 | Very high | 97.9 | Very high | 47 Ų | 47 | 29.8 Ų | 29.8 | 25% | 0.251 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 144.5 | 166.4 | -74 | -21.9 | 0 | 0 | 0 | 110 | Q403 N428 | D397-Q403 VanDerWaalsContact CG-NE2 3.3Å; D397-Q403 PolarHBondContact OD1-NE2 3.23Å; D397-N428 PolarHBondContact OD2-ND2 3.06Å |
| 398 | P | 95.8 | Very high | 97.9 | Very high | 115 Ų | 115 | 30 Ų | 30 | 75% | 0.747 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -102.1 | 42.8 | 2.9 | 40.5 | -35.3 | 0 | 0 | 0 | 113.2 | I400 | P398-I400 PolarHBondContact O-N 3.23Š|
| 399 | M | 98 | Very high | 97.9 | Very high | 19 Ų | 19 | 26.3 Ų | 26.3 | 9% | 0.094 | 14% | 0.144 | C | C | . | . | trans | -54.6 | 141 | 177 | -69 | 170.3 | 175.1 | 0 | 0 | 110.9 | E369 A371 V395 V396 V401 A402 Q403 | E369-M399 HydrophobicContact CB-CG 4.14Å; E369-M399 WeakPolarHBondContact O-CE 3.39Å; E369-M399 WeakPolarHBondContact OE2-CA 3.13Å; E369-M399 WeakPolarHBondContact OE2-CB 3.49Å; A371-M399 HydrophobicContact CB-CE 4.43Å; A371-M399 HydrophobicContact CB-SD 3.87Å; V395-M399 HydrophobicContact CB-SD 4.48Å; V395-M399 HydrophobicContact CG1-SD 3.98Å; V396-M399 HydrophobicContact CG2-CE 3.6Å; V396-M399 HydrophobicContact CG2-CG 4.37Å; V396-M399 HydrophobicContact CG2-SD 4.07Å; V396-M399 PolarHBondContact N-SD 3.34Å; V396-M399 VanDerWaalsContact N-SD 3.45Å; V396-M399 VanDerWaalsContact O-CB 3.23Å; V396-M399 WeakPolarHBondContact O-CB 3.15Å; V396-M399 WeakPolarHBondContact O-CG 3.26Å; V396-M399 PolarHBondContact O-N 3.44Å; M399-V401 HydrophobicContact CB-CG2 4.17Å; M399-V401 PolarHBondContact O-N 3.34Å; M399-A402 HydrophobicContact CB-CB 4.35Å; M399-A402 WeakPolarHBondContact O-CA 3.38Å; M399-A402 WeakPolarHBondContact O-CB 3.48Å; M399-A402 PolarHBondContact O-N 3.5Å; M399-Q403 PolarHBondContact O-N 2.85Å; M399-Q403 VanDerWaalsContact O-N 3.07Å | ||
| 400 | I | 97.8 | Very high | 97.9 | Very high | 17 Ų | 17 | 26 Ų | 26 | 9% | 0.087 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -37.3 | -177.8 | -161 | 178.7 | 0 | 0 | 0 | 111.7 | F362 K365 E369 P398 A402 Q403 E404 | F362-I400 HydrophobicContact CD1-CD1 4.17Å; F362-I400 HydrophobicContact CD1-CG1 4.29Å; F362-I400 HydrophobicContact CD1-CG2 4.43Å; F362-I400 HydrophobicContact CE1-CD1 3.77Å; F362-I400 HydrophobicContact CE1-CG1 3.93Å; K365-I400 HydrophobicContact CB-CG2 3.66Å; K365-I400 HydrophobicContact CD-CD1 3.61Å; K365-I400 HydrophobicContact CD-CG2 4.19Å; E369-I400 WeakPolarHBondContact OE2-CG2 3.26Å; E369-I400 PolarHBondContact OE2-N 2.94Å; P398-I400 PolarHBondContact O-N 3.23Å; I400-A402 PolarHBondContact O-N 3Å; I400-Q403 PolarHBondContact O-N 3.07Å; I400-Q403 VanDerWaalsContact O-N 3.15Å; I400-E404 HydrophobicContact CG1-CB 4.2Å; I400-E404 HydrophobicContact CG1-CG 3.89Å; I400-E404 WeakPolarHBondContact CG1-OE1 3.49Å; I400-E404 PolarHBondContact O-N 3.39Å |
| 401 | V | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.8 | -22.2 | 176 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | K278 F362 A371 V395 M399 I406 Q412 | K278-V401 WeakPolarHBondContact CE-O 3.41Å; K278-V401 PolarHBondContact NZ-O 2.9Å; F362-V401 WeakPolarHBondContact O-CG1 3.48Å; A371-V401 HydrophobicContact CB-CG2 4.33Å; V395-V401 HydrophobicContact CG1-CG2 4.06Å; M399-V401 HydrophobicContact CB-CG2 4.17Å; M399-V401 PolarHBondContact O-N 3.34Å; V401-I406 HydrophobicContact CB-CD1 4.14Å; V401-I406 HydrophobicContact CG1-CD1 4.06Å; V401-Q412 HydrophobicContact CB-CG 4.04Å; V401-Q412 HydrophobicContact CG2-CG 4.18Å; V401-Q412 VanDerWaalsContact O-CD 3.26Å; V401-Q412 VanDerWaalsContact O-CG 3.3Å; V401-Q412 WeakPolarHBondContact O-CG 3.49Å; V401-Q412 PolarHBondContact O-OE1 3.34Å; V401-Q412 VanDerWaalsContact O-OE1 3.13Å |
| 402 | A | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -82.6 | -33.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K278 R313 V395 M399 I400 M414 | K278-A402 VanDerWaalsContact CE-C 3.45Å; K278-A402 WeakPolarHBondContact CE-O 3.28Å; K278-A402 VanDerWaalsContact CG-O 3.32Å; K278-A402 WeakPolarHBondContact CG-O 3.18Å; R313-A402 VanDerWaalsContact CD-O 3.29Å; R313-A402 WeakPolarHBondContact CD-O 3.48Å; V395-A402 HydrophobicContact CG1-CB 3.78Å; M399-A402 HydrophobicContact CB-CB 4.35Å; M399-A402 WeakPolarHBondContact O-CA 3.38Å; M399-A402 WeakPolarHBondContact O-CB 3.48Å; M399-A402 PolarHBondContact O-N 3.5Å; I400-A402 PolarHBondContact O-N 3Å; A402-M414 HydrophobicContact CB-CE 3.5Å; A402-M414 VanDerWaalsContact CB-CE 3.5Å |
| 403 | Q | 98 | Very high | 97.9 | Very high | 43 Ų | 43 | 26 Ų | 26 | 20% | 0.201 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -99.2 | -34.7 | -169.1 | -69.9 | -64.2 | -43.8 | 0 | 0 | 114.3 | D397 M399 I400 N428 | D397-Q403 VanDerWaalsContact CG-NE2 3.3Å; D397-Q403 PolarHBondContact OD1-NE2 3.23Å; M399-Q403 PolarHBondContact O-N 2.85Å; M399-Q403 VanDerWaalsContact O-N 3.07Å; I400-Q403 PolarHBondContact O-N 3.07Å; I400-Q403 VanDerWaalsContact O-N 3.15Å; Q403-N428 PolarHBondContact NE2-O 2.92Å; Q403-N428 PolarHBondContact OE1-O 3.01Å |
| 404 | E | 98 | Very high | 97.9 | Very high | 88 Ų | 88 | 26.2 Ų | 26.2 | 41% | 0.411 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -100.3 | 148 | -175 | -67.3 | -169.8 | -153.1 | 0 | 0 | 113.3 | K278 F362 I400 I406 | K278-E404 WeakPolarHBondContact CD-O 2.99Å; K278-E404 VanDerWaalsContact CE-O 3.23Å; K278-E404 WeakPolarHBondContact CE-O 3.18Å; K278-E404 PolarHBondContact NZ-O 3.47Å; F362-E404 HydrophobicContact CE1-CB 3.72Å; F362-E404 HydrophobicContact CE1-CG 4.45Å; F362-E404 WeakPolarHBondContact CE1-OE2 3.47Å; F362-E404 HydrophobicContact CZ-CB 4.02Å; F362-E404 VanDerWaalsContact CZ-OE2 3.29Å; F362-E404 WeakPolarHBondContact CZ-OE2 3.42Å; I400-E404 HydrophobicContact CG1-CB 4.2Å; I400-E404 HydrophobicContact CG1-CG 3.89Å; I400-E404 WeakPolarHBondContact CG1-OE1 3.49Å; I400-E404 PolarHBondContact O-N 3.39Å; E404-I406 PolarHBondContact O-N 2.85Å |
| 405 | E | 98.4 | Very high | 97.9 | Very high | 18 Ų | 18 | 28.3 Ų | 28.3 | 8% | 0.084 | 15% | 0.146 | C | C | . | . | trans | -74.7 | 106.5 | 175.7 | -176 | -177.7 | -127.5 | 0 | 0 | 110.4 | G276 G277 R358 F407 | G276-E405 WeakPolarHBondContact CA-OE1 3.47Å; G276-E405 WeakPolarHBondContact CA-OE2 3.28Å; G277-E405 PolarHBondContact N-OE1 3.38Å; G277-E405 WeakPolarHBondContact O-CG 3.41Å; R358-E405 PolarHBondContact NH2-O 3.01Å; E405-F407 HydrophobicContact CG-CB 4.14Å; E405-F407 HydrophobicContact CG-CD2 4Å; E405-F407 WeakPolarHBondContact OE1-CD2 3.43Å | ||
| 406 | I | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | trans | -73.5 | -39 | 176.7 | -57.8 | 175.1 | 0 | 0 | 0 | 110.7 | I359 F362 V401 E404 G408 V410 | I359-I406 HydrophobicContact CB-CG2 4.34Å; I359-I406 HydrophobicContact CG1-CG2 4.08Å; I359-I406 HydrophobicContact CG2-CG2 3.98Å; F362-I406 HydrophobicContact CB-CD1 4.24Å; F362-I406 HydrophobicContact CB-CG1 3.99Å; F362-I406 HydrophobicContact CB-CG2 4.12Å; F362-I406 HydrophobicContact CD1-CG1 4.22Å; F362-I406 HydrophobicContact CD2-CB 4.38Å; F362-I406 HydrophobicContact CD2-CG1 4.23Å; F362-I406 HydrophobicContact CD2-CG2 4.19Å; F362-I406 HydrophobicContact CG-CG1 3.91Å; F362-I406 HydrophobicContact CG-CG2 4.38Å; V401-I406 HydrophobicContact CB-CD1 4.14Å; V401-I406 HydrophobicContact CG1-CD1 4.06Å; E404-I406 PolarHBondContact O-N 2.85Å; I406-G408 VanDerWaalsContact C-N 3.34Å; I406-G408 PolarHBondContact O-N 3.44Å; I406-V410 HydrophobicContact CD1-CB 4.07Å; I406-V410 HydrophobicContact CD1-CG1 4.02Å; I406-V410 HydrophobicContact CG2-CB 4.36Å; I406-V410 HydrophobicContact CG2-CG2 3.99Å | ||
| 407 | F | 98.6 | Very high | 97.8 | Very high | 31 Ų | 31 | 29.6 Ų | 29.6 | 14% | 0.136 | 15% | 0.15 | C | C | . | . | trans | 59 | 41.1 | -178.7 | -147.2 | -108.2 | 0 | 0 | 0 | 113.6 | W147 N148 G305 Q306 V307 C308 H355 E405 | W147-F407 AromaticContact CH2-CD1 3.57Å; W147-F407 HydrophobicContact CH2-CD1 3.57Å; W147-F407 AromaticContact CH2-CE1 3.42Å; W147-F407 HydrophobicContact CH2-CE1 3.42Å; W147-F407 VanDerWaalsContact CH2-CE1 3.42Å; W147-F407 AromaticContact CZ2-CD1 3.87Å; W147-F407 HydrophobicContact CZ2-CD1 3.87Å; W147-F407 AromaticContact CZ2-CE1 3.71Å; W147-F407 HydrophobicContact CZ2-CE1 3.71Å; W147-F407 HydrophobicContact CZ3-CE1 4.11Å; N148-F407 HydrophobicContact CB-CE1 4.09Å; N148-F407 HydrophobicContact CB-CZ 4.23Å; N148-F407 WeakPolarHBondContact ND2-CZ 3.27Å; G305-F407 CarbonylContact O-C 3.51Å; G305-F407 VanDerWaalsContact O-C 3.22Å; G305-F407 WeakPolarHBondContact O-CA 3.4Å; Q306-F407 HydrophobicContact CB-CD1 3.97Å; Q306-F407 HydrophobicContact CB-CE1 3.81Å; Q306-F407 HydrophobicContact CG-CD1 4.36Å; V307-F407 VanDerWaalsContact C-CE2 3.4Å; C308-F407 HydrophobicContact CB-CE2 4.42Å; H355-F407 PolarHBondContact CE1-O 3.11Å; H355-F407 AromaticContact NE2-CD1 3.92Å; H355-F407 PolarHBondContact NE2-O 3.3Å; E405-F407 HydrophobicContact CG-CB 4.14Å; E405-F407 HydrophobicContact CG-CD2 4Å; E405-F407 WeakPolarHBondContact OE1-CD2 3.43Å | ||
| 408 | G | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -150.8 | -178.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q304 G305 I406 V410 | Q304-G408 CarbonylContact O-C 3.55Å; Q304-G408 WeakPolarHBondContact O-CA 3.24Å; G305-G408 PolarHBondContact O-N 3.47Å; I406-G408 VanDerWaalsContact C-N 3.34Å; I406-G408 PolarHBondContact O-N 3.44Å; G408-V410 PolarHBondContact O-N 2.82Å |
| 409 | P | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -82.5 | 63.9 | -169.5 | 33.9 | -34 | 0 | 0 | 0 | 110.6 | F301 Q304 I387 T390 | F301-P409 HydrophobicContact CD1-CB 3.76Å; F301-P409 HydrophobicContact CE1-CB 4.06Å; F301-P409 WeakPolarHBondContact CE1-O 3.32Å; Q304-P409 WeakPolarHBondContact O-CD 3.49Å; I387-P409 HydrophobicContact CB-CG 4.15Å; I387-P409 HydrophobicContact CG2-CG 4.15Å; T390-P409 PolarHBondContact N-O 3Å |
| 410 | V | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 110.7 | -173.3 | -167.4 | 0 | 0 | 0 | 0 | 109.9 | I359 I363 T390 F392 I406 G408 Q412 | I359-V410 HydrophobicContact CG2-CG2 3.85Å; I363-V410 HydrophobicContact CD1-CG2 3.92Å; I363-V410 HydrophobicContact CG1-CG1 4.24Å; I363-V410 HydrophobicContact CG1-CG2 3.95Å; T390-V410 HydrophobicContact CG2-CG1 3.86Å; T390-V410 CarbonylContact O-C 3.55Å; T390-V410 WeakPolarHBondContact O-CA 3.38Å; F392-V410 HydrophobicContact CD2-CG1 3.81Å; F392-V410 HydrophobicContact CE2-CG1 3.91Å; I406-V410 HydrophobicContact CD1-CB 4.07Å; I406-V410 HydrophobicContact CD1-CG1 4.02Å; I406-V410 HydrophobicContact CG2-CB 4.36Å; I406-V410 HydrophobicContact CG2-CG2 3.99Å; G408-V410 PolarHBondContact O-N 2.82Å; V410-Q412 VanDerWaalsContact C-NE2 3.3Å; V410-Q412 PolarHBondContact O-NE2 2.94Å |
| 411 | M | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.9 | -179.4 | -167.7 | 174.3 | -88.5 | 0 | 0 | 110.7 | A296 L300 F301 V314 T390 V391 F392 I413 | A296-M411 HydrophobicContact CB-CE 4.49Å; L300-M411 HydrophobicContact CB-CE 4.39Å; L300-M411 HydrophobicContact CD2-CB 3.3Å; L300-M411 HydrophobicContact CD2-CE 3.95Å; L300-M411 HydrophobicContact CD2-CG 3.73Å; F301-M411 HydrophobicContact CD2-CE 4.45Å; F301-M411 HydrophobicContact CE2-CE 3.83Å; F301-M411 HydrophobicContact CZ-CB 4.22Å; V314-M411 HydrophobicContact CG2-CE 4.25Å; V314-M411 HydrophobicContact CG2-CG 3.85Å; V314-M411 HydrophobicContact CG2-SD 4.13Å; T390-M411 PolarHBondContact O-N 3.4Å; V391-M411 HydrophobicContact CG2-CB 4.24Å; F392-M411 PolarHBondContact N-O 3.11Å; M411-I413 HydrophobicContact CG-CG1 3.99Å; M411-I413 HydrophobicContact SD-CD1 4.07Å; M411-I413 HydrophobicContact SD-CG1 4.02Å |
| 412 | Q | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 112.9 | 170.8 | -65.1 | 80.4 | 63.3 | 0 | 0 | 109 | S312 V314 V395 V401 V410 M414 | S312-Q412 WeakPolarHBondContact O-CB 3.29Å; S312-Q412 PolarHBondContact O-N 3.25Å; S312-Q412 PolarHBondContact O-OE1 3.22Å; V314-Q412 PolarHBondContact N-O 2.82Å; V395-Q412 HydrophobicContact CB-CB 4.22Å; V395-Q412 HydrophobicContact CG1-CB 4.13Å; V395-Q412 HydrophobicContact CG1-CG 4.27Å; V395-Q412 HydrophobicContact CG2-CB 3.89Å; V395-Q412 HydrophobicContact CG2-CG 4.17Å; V401-Q412 HydrophobicContact CB-CG 4.04Å; V401-Q412 HydrophobicContact CG2-CG 4.18Å; V401-Q412 VanDerWaalsContact O-CD 3.26Å; V401-Q412 VanDerWaalsContact O-CG 3.3Å; V401-Q412 WeakPolarHBondContact O-CG 3.49Å; V401-Q412 PolarHBondContact O-OE1 3.34Å; V401-Q412 VanDerWaalsContact O-OE1 3.13Å; V410-Q412 VanDerWaalsContact C-NE2 3.3Å; V410-Q412 PolarHBondContact O-NE2 2.94Å; Q412-M414 HydrophobicContact CB-CE 4.16Å |
| 413 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.2 | 177.9 | -50.4 | 175.8 | 0 | 0 | 0 | 108.9 | V314 V316 Y321 F324 V325 V391 F392 D394 V395 M411 | V314-I413 CarbonylContact O-C 3.55Å; V314-I413 WeakPolarHBondContact O-CA 3.42Å; V316-I413 HydrophobicContact CG2-CG2 3.92Å; Y321-I413 HydrophobicContact CD2-CG2 4.39Å; Y321-I413 HydrophobicContact CE2-CG2 3.8Å; F324-I413 HydrophobicContact CD1-CD1 4.18Å; F324-I413 HydrophobicContact CD1-CG2 4.31Å; F324-I413 HydrophobicContact CE1-CD1 4.15Å; V325-I413 HydrophobicContact CG2-CD1 4.07Å; V325-I413 HydrophobicContact CG2-CG2 3.99Å; V391-I413 HydrophobicContact CG1-CD1 3.63Å; V391-I413 HydrophobicContact CG1-CG1 4.29Å; F392-I413 PolarHBondContact O-N 3.28Å; D394-I413 PolarHBondContact N-O 3.26Å; V395-I413 PolarHBondContact N-O 2.99Å; M411-I413 HydrophobicContact CG-CG1 3.99Å; M411-I413 HydrophobicContact SD-CD1 4.07Å; M411-I413 HydrophobicContact SD-CG1 4.02Å |
| 414 | M | 98.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.039 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.3 | -176.1 | -54.2 | 177.5 | -176.9 | 0 | 0 | 109 | R313 V314 F315 V316 V395 A402 Q412 | R313-M414 HydrophobicContact CB-CE 4.07Å; R313-M414 HydrophobicContact CB-SD 4.4Å; R313-M414 HydrophobicContact CG-CE 3.67Å; V314-M414 PolarHBondContact O-N 3.34Å; F315-M414 WeakPolarHBondContact CA-O 3.43Å; F315-M414 HydrophobicContact CD1-CB 3.82Å; F315-M414 HydrophobicContact CD1-SD 4.12Å; F315-M414 HydrophobicContact CE1-CB 3.99Å; F315-M414 HydrophobicContact CE1-CG 4.34Å; F315-M414 HydrophobicContact CE1-SD 3.4Å; F315-M414 WeakPolarHBondContact CE1-SD 3.03Å; F315-M414 HydrophobicContact CE2-SD 4.14Å; F315-M414 HydrophobicContact CG-CB 4.5Å; F315-M414 HydrophobicContact CZ-SD 3.42Å; F315-M414 WeakPolarHBondContact CZ-SD 3.36Å; V316-M414 PolarHBondContact N-O 3.02Å; V395-M414 HydrophobicContact CB-CE 4.3Å; V395-M414 HydrophobicContact CB-CG 4.08Å; V395-M414 HydrophobicContact CG1-CE 3.76Å; V395-M414 HydrophobicContact CG1-CG 4.49Å; V395-M414 WeakPolarHBondContact O-CG 3.46Å; A402-M414 HydrophobicContact CB-CE 3.5Å; A402-M414 VanDerWaalsContact CB-CE 3.5Å; Q412-M414 HydrophobicContact CB-CE 4.16Å |
| 415 | R | 97.4 | Very high | 96.7 | Very high | 113 Ų | 113 | 38.1 Ų | 38.1 | 43% | 0.426 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.7 | 176.2 | -168.5 | 179.4 | -65.1 | 167 | -1.9 | 110.9 | V316 A318 Y321 D322 | V316-R415 WeakPolarHBondContact O-CA 3.43Å; A318-R415 HydrophobicContact CB-CG 3.9Å; Y321-R415 HydrophobicContact CD2-CB 3.77Å; Y321-R415 HydrophobicContact CD2-CG 4.04Å; Y321-R415 HydrophobicContact CE2-CB 3.83Å; Y321-R415 HydrophobicContact CG-CB 4.49Å; Y321-R415 HydrophobicContact CG-CG 4.37Å; D322-R415 IonicContact OD1-NH2 2.8Å |
| 416 | F | 97.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 151.4 | 165.1 | 74.4 | -90.2 | 0 | 0 | 0 | 111.6 | I282 F284 F315 V316 E317 A318 L422 | I282-F416 HydrophobicContact CG2-CE1 4.3Å; I282-F416 HydrophobicContact CG2-CZ 4.41Å; F284-F416 AromaticContact CD1-CE2 3.98Å; F284-F416 HydrophobicContact CD1-CE2 3.98Å; F284-F416 AromaticContact CD1-CZ 3.78Å; F284-F416 HydrophobicContact CD1-CZ 3.78Å; F284-F416 AromaticContact CE1-CE2 3.69Å; F284-F416 HydrophobicContact CE1-CE2 3.69Å; F284-F416 AromaticContact CE1-CZ 3.77Å; F284-F416 HydrophobicContact CE1-CZ 3.77Å; F284-F416 HydrophobicContact CG-CZ 4.31Å; F284-F416 HydrophobicContact CZ-CE2 4.41Å; F284-F416 HydrophobicContact CZ-CZ 4.29Å; F315-F416 HydrophobicContact CB-CD1 3.88Å; F315-F416 HydrophobicContact CB-CE1 4.28Å; V316-F416 WeakPolarHBondContact O-CD1 3.12Å; V316-F416 PolarHBondContact O-N 2.93Å; V316-F416 VanDerWaalsContact O-N 3.08Å; E317-F416 HydrophobicContact CB-CE1 4.04Å; E317-F416 HydrophobicContact CB-CE2 3.95Å; E317-F416 HydrophobicContact CB-CZ 3.59Å; E317-F416 HydrophobicContact CG-CE2 4.02Å; E317-F416 HydrophobicContact CG-CZ 4.18Å; A318-F416 PolarHBondContact N-O 3.32Å; F416-L422 HydrophobicContact CB-CB 4.2Å; F416-L422 HydrophobicContact CB-CD1 4.33Å; F416-L422 HydrophobicContact CD1-CD1 3.84Å; F416-L422 HydrophobicContact CD2-CB 3.92Å; F416-L422 HydrophobicContact CD2-CD1 4.38Å; F416-L422 HydrophobicContact CD2-CD2 4.16Å; F416-L422 HydrophobicContact CD2-CG 4.38Å; F416-L422 HydrophobicContact CE1-CD1 4.17Å; F416-L422 HydrophobicContact CE1-CD2 4.45Å; F416-L422 HydrophobicContact CE2-CD2 3.95Å; F416-L422 HydrophobicContact CG-CB 4.06Å; F416-L422 HydrophobicContact CG-CD1 3.93Å; F416-L422 HydrophobicContact CG-CG 4.39Å; F416-L422 HydrophobicContact CZ-CD2 4.08Å |
| 417 | D | 94 | Very high | 96.6 | Very high | 111 Ų | 111 | 38.5 Ų | 38.5 | 59% | 0.594 | 19% | 0.186 | S | C | * | . | trans | -112.8 | -31.8 | -177.8 | -57.8 | -70.2 | 0 | 0 | 0 | 112.8 | A318 | A318-D417 WeakPolarHBondContact CB-OD1 3.45Š| ||
| 418 | T | 94 | Very high | 96.6 | Very high | 79 Ų | 79 | 41.1 Ų | 41.1 | 49% | 0.485 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -135.4 | 153.9 | -177.2 | 74.1 | 0 | 0 | 0 | 0 | 111.7 | K420 D421 L422 | T418-K420 VanDerWaalsContact C-N 3.29Å; T418-K420 PolarHBondContact O-N 3.31Å; T418-D421 PolarHBondContact O-N 3.44Å; T418-D421 WeakPolarHBondContact OG1-CB 3.12Å; T418-D421 PolarHBondContact OG1-N 3.15Å; T418-L422 WeakPolarHBondContact O-CB 3.46Å; T418-L422 PolarHBondContact O-N 2.94Å |
| 419 | M | 93.1 | Very high | 96.5 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -38.3 | 177.7 | -174.8 | 66 | 76.6 | 0 | 0 | 112.8 | F284 L422 V423 K444 Y447 V448 | F284-M419 HydrophobicContact CE1-CE 3.57Å; F284-M419 HydrophobicContact CE1-SD 4.25Å; F284-M419 HydrophobicContact CE2-CE 4.27Å; F284-M419 HydrophobicContact CZ-CE 3.28Å; F284-M419 HydrophobicContact CZ-SD 3.71Å; M419-L422 HydrophobicContact SD-CD2 4.03Å; M419-V423 WeakPolarHBondContact O-CG2 3.34Å; M419-V423 PolarHBondContact O-N 2.92Å; M419-V423 VanDerWaalsContact O-N 3.1Å; M419-K444 HydrophobicContact CE-CB 3.89Å; M419-K444 HydrophobicContact CE-CD 4.31Å; M419-K444 HydrophobicContact CE-CG 3.8Å; M419-Y447 HydrophobicContact CE-CD1 4.39Å; M419-Y447 HydrophobicContact CG-CD1 3.5Å; M419-Y447 HydrophobicContact CG-CE1 3.37Å; M419-Y447 HydrophobicContact SD-CD1 3.7Å; M419-Y447 HydrophobicContact SD-CE1 4.07Å; M419-V448 HydrophobicContact CE-CG2 4.11Å; M419-V448 HydrophobicContact SD-CG2 3.55Å; M419-V448 VanDerWaalsContact SD-CG2 3.55Å |
| 420 | K | 90.7 | Very high | 96.5 | Very high | 140 Ų | 140 | 45.9 Ų | 45.9 | 61% | 0.609 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.7 | -51.2 | -179.5 | -176.8 | -177.9 | 173.9 | -174 | 0 | 111.3 | T418 L422 V423 E424 | T418-K420 VanDerWaalsContact C-N 3.29Å; T418-K420 PolarHBondContact O-N 3.31Å; K420-L422 VanDerWaalsContact C-N 3.3Å; K420-L422 PolarHBondContact O-N 3.22Å; K420-V423 PolarHBondContact O-N 3.22Å; K420-E424 WeakPolarHBondContact CE-OE1 3.31Å; K420-E424 PolarHBondContact O-N 2.79Å; K420-E424 VanDerWaalsContact O-N 3.15Å |
| 421 | D | 91.4 | Very high | 96.5 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 177.1 | 173.4 | 63.7 | 0 | 0 | 0 | 111.7 | T418 E424 K425 | T418-D421 PolarHBondContact O-N 3.44Å; T418-D421 WeakPolarHBondContact OG1-CB 3.12Å; T418-D421 PolarHBondContact OG1-N 3.15Å; D421-E424 PolarHBondContact O-N 2.97Å; D421-K425 VanDerWaalsContact CG-NZ 3.26Å; D421-K425 WeakPolarHBondContact O-CB 3.41Å; D421-K425 WeakPolarHBondContact O-CG 3.34Å; D421-K425 PolarHBondContact O-N 3.16Å; D421-K425 WeakPolarHBondContact OD1-CE 3.49Å; D421-K425 IonicContact OD1-NZ 2.83Å; D421-K425 PolarHBondContact OD1-NZ 2.9Å; D421-K425 WeakPolarHBondContact OD2-CE 3.35Å; D421-K425 IonicContact OD2-NZ 3.98Å; D421-K425 PolarHBondContact OD2-NZ 2.87Å |
| 422 | L | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.5 | -51.9 | 175.6 | 168.6 | 67.5 | 0 | 0 | 0 | 112.5 | I282 F284 F315 F416 T418 M419 K420 E424 K425 A426 V448 | I282-L422 HydrophobicContact CD1-CD1 4.07Å; I282-L422 HydrophobicContact CD1-CD2 4.4Å; I282-L422 HydrophobicContact CD1-CG 4.36Å; I282-L422 HydrophobicContact CG1-CD1 4.02Å; I282-L422 HydrophobicContact CG2-CD1 3.91Å; I282-L422 HydrophobicContact CG2-CD2 3.57Å; I282-L422 HydrophobicContact CG2-CG 4.3Å; F284-L422 HydrophobicContact CE1-CD2 4.13Å; F284-L422 HydrophobicContact CE2-CD2 4.3Å; F284-L422 HydrophobicContact CZ-CD2 3.54Å; F315-L422 HydrophobicContact CB-CD1 3.71Å; F315-L422 HydrophobicContact CD1-CD1 4.23Å; F315-L422 HydrophobicContact CG-CD1 3.97Å; F416-L422 HydrophobicContact CB-CB 4.2Å; F416-L422 HydrophobicContact CB-CD1 4.33Å; F416-L422 HydrophobicContact CD1-CD1 3.84Å; F416-L422 HydrophobicContact CD2-CB 3.92Å; F416-L422 HydrophobicContact CD2-CD1 4.38Å; F416-L422 HydrophobicContact CD2-CD2 4.16Å; F416-L422 HydrophobicContact CD2-CG 4.38Å; F416-L422 HydrophobicContact CE1-CD1 4.17Å; F416-L422 HydrophobicContact CE1-CD2 4.45Å; F416-L422 HydrophobicContact CE2-CD2 3.95Å; F416-L422 HydrophobicContact CG-CB 4.06Å; F416-L422 HydrophobicContact CG-CD1 3.93Å; F416-L422 HydrophobicContact CG-CG 4.39Å; F416-L422 HydrophobicContact CZ-CD2 4.08Å; T418-L422 WeakPolarHBondContact O-CB 3.46Å; T418-L422 PolarHBondContact O-N 2.94Å; M419-L422 HydrophobicContact SD-CD2 4.03Å; K420-L422 VanDerWaalsContact C-N 3.3Å; K420-L422 PolarHBondContact O-N 3.22Å; L422-E424 PolarHBondContact O-N 2.77Å; L422-K425 PolarHBondContact O-N 2.85Å; L422-A426 WeakPolarHBondContact O-CB 3.38Å; L422-A426 PolarHBondContact O-N 3.05Å; L422-V448 HydrophobicContact CD2-CG2 4.46Å |
| 423 | V | 97.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | -177.3 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | M419 K420 N427 Y447 N451 I452 | M419-V423 WeakPolarHBondContact O-CG2 3.34Å; M419-V423 PolarHBondContact O-N 2.92Å; M419-V423 VanDerWaalsContact O-N 3.1Å; K420-V423 PolarHBondContact O-N 3.22Å; V423-N427 WeakPolarHBondContact O-CB 3.47Å; V423-N427 PolarHBondContact O-N 3.34Å; V423-N427 PolarHBondContact O-ND2 3.32Å; V423-Y447 HydrophobicContact CG2-CE1 4.04Å; V423-N451 HydrophobicContact CG1-CB 3.9Å; V423-N451 HydrophobicContact CG2-CB 4.31Å; V423-I452 HydrophobicContact CG1-CD1 4.48Å; V423-I452 HydrophobicContact CG2-CD1 4.39Å |
| 424 | E | 96.2 | Very high | 96.5 | Very high | 114 Ų | 114 | 47.6 Ų | 47.6 | 53% | 0.533 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.5 | -50.7 | 176.5 | -72.6 | 176.3 | -171.5 | 0 | 0 | 110.8 | K420 D421 L422 N427 N428 | K420-E424 WeakPolarHBondContact CE-OE1 3.31Å; K420-E424 PolarHBondContact O-N 2.79Å; K420-E424 VanDerWaalsContact O-N 3.15Å; D421-E424 PolarHBondContact O-N 2.97Å; L422-E424 PolarHBondContact O-N 2.77Å; E424-N427 PolarHBondContact O-N 2.79Å; E424-N428 WeakPolarHBondContact O-CB 3.32Å; E424-N428 PolarHBondContact O-N 3.13Å |
| 425 | K | 96.8 | Very high | 96.5 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 29% | 0.291 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.7 | -72.8 | 171.7 | 173.1 | 164.9 | 0 | 113.2 | R313 F315 D421 L422 N427 N428 | R313-K425 PolarHBondContact NH1-O 3.08Å; F315-K425 HydrophobicContact CE1-CB 3.86Å; F315-K425 HydrophobicContact CZ-CB 4.31Å; D421-K425 VanDerWaalsContact CG-NZ 3.26Å; D421-K425 WeakPolarHBondContact O-CB 3.41Å; D421-K425 WeakPolarHBondContact O-CG 3.34Å; D421-K425 PolarHBondContact O-N 3.16Å; D421-K425 WeakPolarHBondContact OD1-CE 3.49Å; D421-K425 IonicContact OD1-NZ 2.83Å; D421-K425 PolarHBondContact OD1-NZ 2.9Å; D421-K425 WeakPolarHBondContact OD2-CE 3.35Å; D421-K425 IonicContact OD2-NZ 3.98Å; D421-K425 PolarHBondContact OD2-NZ 2.87Å; L422-K425 PolarHBondContact O-N 2.85Å; K425-N427 VanDerWaalsContact C-N 3.26Å; K425-N427 PolarHBondContact O-N 3.47Å; K425-N428 WeakPolarHBondContact O-CB 3.25Å; K425-N428 PolarHBondContact O-N 2.99Å; K425-N428 VanDerWaalsContact O-N 3.13Å |
| 426 | A | 98 | Very high | 96.5 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.5 | -34.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P280 I282 R313 F315 L422 I452 | P280-A426 HydrophobicContact CB-CB 3.97Å; P280-A426 HydrophobicContact CG-CB 4.16Å; I282-A426 HydrophobicContact CD1-CB 4.4Å; R313-A426 PolarHBondContact NH2-O 2.85Å; F315-A426 HydrophobicContact CE2-CB 4.36Å; L422-A426 WeakPolarHBondContact O-CB 3.38Å; L422-A426 PolarHBondContact O-N 3.05Å; A426-I452 HydrophobicContact CB-CD1 3.42Å; A426-I452 VanDerWaalsContact CB-CD1 3.42Å |
| 427 | N | 98.2 | Very high | 96.6 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.15 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -83.7 | -13.7 | 174.8 | -74 | -33.8 | 0 | 0 | 0 | 114.4 | V423 E424 K425 T429 N451 Q453 K475 | V423-N427 WeakPolarHBondContact O-CB 3.47Å; V423-N427 PolarHBondContact O-N 3.34Å; V423-N427 PolarHBondContact O-ND2 3.32Å; E424-N427 PolarHBondContact O-N 2.79Å; K425-N427 VanDerWaalsContact C-N 3.26Å; K425-N427 PolarHBondContact O-N 3.47Å; N427-T429 PolarHBondContact O-N 3.24Å; N427-N451 PolarHBondContact ND2-O 3.31Å; N427-Q453 PolarHBondContact OD1-N 3.49Å; N427-K475 PolarHBondContact O-NZ 3.36Å |
| 428 | N | 97.7 | Very high | 96.8 | Very high | 87 Ų | 87 | 36.6 Ų | 36.6 | 47% | 0.465 | 18% | 0.184 | S | C | . | . | trans | -75 | 66.3 | 179.6 | -172.1 | 38.4 | 0 | 0 | 0 | 112.4 | D397 Q403 E424 K425 | D397-N428 PolarHBondContact OD2-ND2 3.06Å; Q403-N428 PolarHBondContact NE2-O 2.92Å; Q403-N428 PolarHBondContact OE1-O 3.01Å; E424-N428 WeakPolarHBondContact O-CB 3.32Å; E424-N428 PolarHBondContact O-N 3.13Å; K425-N428 WeakPolarHBondContact O-CB 3.25Å; K425-N428 PolarHBondContact O-N 2.99Å; K425-N428 VanDerWaalsContact O-N 3.13Å | ||
| 429 | T | 97.9 | Very high | 97 | Very high | 15 Ų | 15 | 33 Ų | 33 | 9% | 0.092 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -158.4 | 155.3 | 173.4 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | N427 Y431 K475 | N427-T429 PolarHBondContact O-N 3.24Å; T429-Y431 WeakPolarHBondContact CG2-O 3.3Å; T429-Y431 PolarHBondContact O-N 3.5Å; T429-Y431 WeakPolarHBondContact OG1-CD2 3.45Å; T429-Y431 PolarHBondContact OG1-N 2.93Å; T429-K475 PolarHBondContact O-NZ 3.01Å |
| 430 | I | 97.9 | Very high | 97.2 | Very high | 87 Ų | 87 | 38 Ų | 38 | 45% | 0.446 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -69 | -16.7 | 175.2 | 66.1 | 170.1 | 0 | 0 | 0 | 112.8 | K475 M476 | I430-K475 WeakPolarHBondContact O-CB 3.32Å; I430-M476 HydrophobicContact CB-CB 4.47Å; I430-M476 HydrophobicContact CB-CG 4.25Å; I430-M476 HydrophobicContact CB-SD 3.92Å; I430-M476 HydrophobicContact CD1-SD 3.99Å; I430-M476 HydrophobicContact CG1-SD 4.43Å; I430-M476 HydrophobicContact CG2-SD 4.39Å; I430-M476 WeakPolarHBondContact O-CB 3.47Å; I430-M476 PolarHBondContact O-N 2.94Å |
| 431 | Y | 98.6 | Very high | 97.6 | Very high | 29 Ų | 29 | 34.3 Ų | 34.3 | 11% | 0.114 | 17% | 0.169 | C | C | . | . | trans | -91.1 | 164.2 | -176 | -60.1 | -71.8 | 0 | 0 | 0 | 112.9 | T253 G276 K278 T429 K475 S477 | T253-Y431 WeakPolarHBondContact OG1-CE1 3.29Å; G276-Y431 WeakPolarHBondContact O-CD1 3.47Å; K278-Y431 HydrophobicContact CB-CD2 3.51Å; K278-Y431 HydrophobicContact CB-CE2 4.25Å; K278-Y431 HydrophobicContact CB-CG 4.19Å; T429-Y431 WeakPolarHBondContact CG2-O 3.3Å; T429-Y431 PolarHBondContact O-N 3.5Å; T429-Y431 WeakPolarHBondContact OG1-CD2 3.45Å; T429-Y431 PolarHBondContact OG1-N 2.93Å; Y431-K475 WeakPolarHBondContact O-CD 3.29Å; Y431-K475 PolarHBondContact O-NZ 3.18Å; Y431-S477 WeakPolarHBondContact CA-OG 3.1Å; Y431-S477 WeakPolarHBondContact CB-OG 3.16Å | ||
| 432 | G | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 6% | 0.062 | 19% | 0.187 | C | C | . | . | trans | -166.2 | 41.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q453 A454 G455 Y474 S477 | G432-Q453 VanDerWaalsContact CA-O 3.26Å; G432-Q453 WeakPolarHBondContact CA-O 3.18Å; G432-A454 WeakPolarHBondContact O-CA 3.24Å; G432-G455 PolarHBondContact O-N 3.1Å; G432-Y474 WeakPolarHBondContact O-CB 3.34Å; G432-Y474 PolarHBondContact O-N 3.44Å; G432-S477 PolarHBondContact N-OG 2.98Å | ||
| 433 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -77.5 | -64 | -176.1 | -169.8 | 60.1 | 0 | 0 | 0 | 112.8 | C308 T309 G455 T456 F471 S477 | C308-L433 HydrophobicContact CB-CD2 3.5Å; C308-L433 VanDerWaalsContact CB-CD2 3.5Å; C308-L433 WeakPolarHBondContact O-CD2 3.24Å; T309-L433 HydrophobicContact CG2-CD2 3.84Å; T309-L433 HydrophobicContact CG2-CG 4.12Å; L433-G455 VanDerWaalsContact O-CA 3.28Å; L433-G455 WeakPolarHBondContact O-CA 3.33Å; L433-G455 PolarHBondContact O-N 3.24Å; L433-T456 PolarHBondContact O-N 2.76Å; L433-F471 HydrophobicContact CD1-CE1 4Å; L433-F471 HydrophobicContact CD1-CE2 4.5Å; L433-F471 HydrophobicContact CD1-CZ 3.77Å; L433-F471 HydrophobicContact CD2-CZ 3.96Å; L433-F471 HydrophobicContact CG-CZ 3.84Å; L433-S477 PolarHBondContact N-OG 2.8Å |
| 434 | A | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 165.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S279 P280 T309 T456 W458 | S279-A434 WeakPolarHBondContact CA-O 3.39Å; S279-A434 WeakPolarHBondContact CB-O 3.34Å; S279-A434 PolarHBondContact OG-N 2.93Å; S279-A434 PolarHBondContact OG-O 2.98Å; P280-A434 WeakPolarHBondContact CD-O 3.32Å; T309-A434 HydrophobicContact CG2-CB 3.68Å; A434-T456 CarbonylContact C-O 3.54Å; A434-T456 WeakPolarHBondContact CA-O 3.44Å; A434-W458 HydrophobicContact CB-CE3 4.43Å; A434-W458 HydrophobicContact CB-CH2 3.68Å; A434-W458 HydrophobicContact CB-CZ3 3.56Å |
| 435 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 160 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P280 I452 A454 T456 V457 W458 | P280-A435 HydrophobicContact CG-CB 3.75Å; P280-A435 CarbonylContact O-C 3.58Å; P280-A435 VanDerWaalsContact O-CA 3.24Å; P280-A435 WeakPolarHBondContact O-CA 3.35Å; A435-I452 HydrophobicContact CB-CG2 3.77Å; A435-A454 HydrophobicContact CB-CB 4Å; A435-T456 PolarHBondContact N-O 3.12Å; A435-V457 HydrophobicContact CB-CG1 4.33Å; A435-V457 HydrophobicContact CB-CG2 4.28Å; A435-V457 WeakPolarHBondContact O-CA 3.49Å; A435-W458 PolarHBondContact O-N 2.89Å |
| 436 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P280 I282 W458 | P280-G436 PolarHBondContact O-N 2.95Å; I282-G436 WeakPolarHBondContact CB-O 3.45Å; I282-G436 PolarHBondContact N-O 3.02Å; G436-W458 CarbonylContact C-O 3.57Å; G436-W458 WeakPolarHBondContact CA-O 3.37Å |
| 437 | V | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132.4 | 173.7 | 61 | 0 | 0 | 0 | 0 | 111 | I282 F284 T439 V448 V457 W458 V459 N460 | I282-V437 HydrophobicContact CB-CB 4.47Å; I282-V437 HydrophobicContact CB-CG2 4.43Å; I282-V437 HydrophobicContact CG2-CG2 4.35Å; I282-V437 CarbonylContact O-C 3.49Å; I282-V437 WeakPolarHBondContact O-CA 3.49Å; F284-V437 HydrophobicContact CD2-CG2 4.07Å; F284-V437 HydrophobicContact CE2-CG2 3.74Å; V437-T439 HydrophobicContact CG2-CG2 4.27Å; V437-V448 HydrophobicContact CB-CB 4.48Å; V437-V448 HydrophobicContact CB-CG1 4.01Å; V437-V448 HydrophobicContact CG1-CG1 4.47Å; V437-V448 HydrophobicContact CG2-CB 4.14Å; V437-V448 HydrophobicContact CG2-CG1 4.06Å; V437-V448 HydrophobicContact CG2-CG2 4.27Å; V437-V457 HydrophobicContact CG1-CG1 4.37Å; V437-W458 PolarHBondContact N-O 3.1Å; V437-V459 HydrophobicContact CG1-CB 4.22Å; V437-V459 HydrophobicContact CG1-CG1 4.32Å; V437-V459 HydrophobicContact CG1-CG2 3.73Å; V437-V459 CarbonylContact O-C 3.58Å; V437-V459 WeakPolarHBondContact O-CA 3.28Å; V437-N460 PolarHBondContact O-N 3.34Å |
| 438 | F | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 117.1 | -178.9 | -68.1 | -96.9 | 0 | 0 | 0 | 109.9 | N281 I282 I283 F284 A287 A292 Q295 N460 C461 Y462 | N281-F438 WeakPolarHBondContact OD1-CD2 3.45Å; N281-F438 WeakPolarHBondContact OD1-CE2 3.42Å; I282-F438 PolarHBondContact O-N 3.46Å; I283-F438 HydrophobicContact CD1-CB 3.96Å; I283-F438 HydrophobicContact CD1-CD2 3.43Å; I283-F438 VanDerWaalsContact CD1-CD2 3.43Å; I283-F438 HydrophobicContact CD1-CE2 4.21Å; I283-F438 HydrophobicContact CD1-CG 3.85Å; F284-F438 PolarHBondContact N-O 3.32Å; A287-F438 HydrophobicContact CB-CB 4.07Å; A292-F438 HydrophobicContact CB-CB 4.04Å; A292-F438 HydrophobicContact CB-CD1 3.99Å; A292-F438 HydrophobicContact CB-CG 4.08Å; Q295-F438 HydrophobicContact CB-CE1 3.51Å; Q295-F438 HydrophobicContact CB-CE2 4.46Å; Q295-F438 HydrophobicContact CB-CZ 3.43Å; Q295-F438 VanDerWaalsContact CB-CZ 3.43Å; Q295-F438 HydrophobicContact CG-CE1 3.75Å; Q295-F438 HydrophobicContact CG-CZ 4.08Å; F438-N460 VanDerWaalsContact CA-OD1 3.29Å; F438-N460 WeakPolarHBondContact CA-OD1 3.37Å; F438-C461 WeakPolarHBondContact CZ-O 3.39Å; F438-Y462 HydrophobicContact CE2-CD2 4.41Å |
| 439 | T | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | trans | -168.9 | 153.3 | -177.7 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | F284 D286 V437 D441 K444 A445 N460 | F284-T439 HydrophobicContact CD2-CG2 4.31Å; D286-T439 VanDerWaalsContact CG-OG1 3.27Å; D286-T439 PolarHBondContact OD1-OG1 2.81Å; D286-T439 PolarHBondContact OD2-OG1 3.09Å; V437-T439 HydrophobicContact CG2-CG2 4.27Å; T439-D441 VanDerWaalsContact CG2-O 3.25Å; T439-D441 WeakPolarHBondContact CG2-O 3.36Å; T439-D441 PolarHBondContact OG1-N 3.24Å; T439-D441 VanDerWaalsContact OG1-N 3.11Å; T439-K444 HydrophobicContact CG2-CB 4.18Å; T439-A445 HydrophobicContact CG2-CB 3.75Å; T439-N460 PolarHBondContact N-OD1 3.04Å; T439-N460 PolarHBondContact O-ND2 3.29Å; T439-N460 PolarHBondContact O-OD1 2.66Å; T439-N460 VanDerWaalsContact O-OD1 3.08Å | ||
| 440 | K | 98.2 | Very high | 98.1 | Very high | 155 Ų | 155 | 47.7 Ų | 47.7 | 67% | 0.674 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -89 | -13.1 | 170.1 | -66.9 | 177.9 | -168.8 | 174 | 0 | 111.7 | D286 | D286-K440 WeakPolarHBondContact O-CD 3.41Å; D286-K440 VanDerWaalsContact O-CE 3.25Å; D286-K440 WeakPolarHBondContact O-CE 3.08Å; D286-K440 WeakPolarHBondContact O-CG 3.46Å; D286-K440 WeakPolarHBondContact OD2-CA 3.47Å; D286-K440 PolarHBondContact OD2-N 3.18Å |
| 441 | D | 98 | Very high | 98.1 | Very high | 61 Ų | 61 | 46.8 Ų | 46.8 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | trans | -87.4 | 112.5 | 178.2 | -173 | -29.6 | 0 | 0 | 0 | 111.4 | D286 T439 D443 K444 A445 | D286-D441 PolarHBondContact OD2-N 3.49Å; D286-D441 VanDerWaalsContact OD2-N 3.08Å; T439-D441 VanDerWaalsContact CG2-O 3.25Å; T439-D441 WeakPolarHBondContact CG2-O 3.36Å; T439-D441 PolarHBondContact OG1-N 3.24Å; T439-D441 VanDerWaalsContact OG1-N 3.11Å; D441-D443 VanDerWaalsContact C-N 3.31Å; D441-D443 PolarHBondContact O-N 3.32Å; D441-D443 WeakPolarHBondContact OD1-CA 3.32Å; D441-D443 WeakPolarHBondContact OD1-CB 3.45Å; D441-D443 PolarHBondContact OD1-N 3.29Å; D441-K444 HydrophobicContact CB-CB 4.1Å; D441-K444 HydrophobicContact CB-CD 3.9Å; D441-K444 HydrophobicContact CB-CG 3.91Å; D441-K444 PolarHBondContact O-N 3.48Å; D441-K444 PolarHBondContact OD1-N 3.34Å; D441-K444 WeakPolarHBondContact OD2-CE 3.46Å; D441-A445 PolarHBondContact O-N 3.14Å | ||
| 442 | I | 97.4 | Very high | 98 | Very high | 119 Ų | 119 | 45.9 Ų | 45.9 | 61% | 0.61 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -67.4 | -30.8 | -179.4 | -166.4 | 163.7 | 0 | 0 | 0 | 112.8 | A445 L446 | I442-A445 PolarHBondContact O-N 2.59Å; I442-L446 HydrophobicContact CG1-CD1 4.02Å; I442-L446 HydrophobicContact CG1-CG 4.17Å; I442-L446 WeakPolarHBondContact O-CB 3.33Å; I442-L446 VanDerWaalsContact O-CG 3.29Å; I442-L446 WeakPolarHBondContact O-CG 3.32Å; I442-L446 PolarHBondContact O-N 2.78Å |
| 443 | D | 97.9 | Very high | 98 | Very high | 122 Ų | 122 | 50 Ų | 50 | 65% | 0.652 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -69.5 | -40.4 | 178.8 | -70.1 | -31.7 | 0 | 0 | 0 | 109.9 | D441 Y447 | D441-D443 VanDerWaalsContact C-N 3.31Å; D441-D443 PolarHBondContact O-N 3.32Å; D441-D443 WeakPolarHBondContact OD1-CA 3.32Å; D441-D443 WeakPolarHBondContact OD1-CB 3.45Å; D441-D443 PolarHBondContact OD1-N 3.29Å; D443-Y447 WeakPolarHBondContact O-CB 3.4Å; D443-Y447 PolarHBondContact O-N 3.33Å |
| 444 | K | 97.6 | Very high | 98 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 171.1 | -68.3 | -175.5 | -159.9 | 173 | 0 | 111.6 | F284 D286 M419 T439 D441 L446 Y447 V448 | F284-K444 HydrophobicContact CD1-CD 3.89Å; F284-K444 HydrophobicContact CE1-CD 4.09Å; F284-K444 HydrophobicContact CG-CD 4.14Å; D286-K444 IonicContact OD1-NZ 2.7Å; D286-K444 PolarHBondContact OD1-NZ 3.07Å; M419-K444 HydrophobicContact CE-CB 3.89Å; M419-K444 HydrophobicContact CE-CD 4.31Å; M419-K444 HydrophobicContact CE-CG 3.8Å; T439-K444 HydrophobicContact CG2-CB 4.18Å; D441-K444 HydrophobicContact CB-CB 4.1Å; D441-K444 HydrophobicContact CB-CD 3.9Å; D441-K444 HydrophobicContact CB-CG 3.91Å; D441-K444 PolarHBondContact O-N 3.48Å; D441-K444 PolarHBondContact OD1-N 3.34Å; D441-K444 WeakPolarHBondContact OD2-CE 3.46Å; K444-L446 PolarHBondContact O-N 3.47Å; K444-Y447 PolarHBondContact O-N 3.38Å; K444-V448 WeakPolarHBondContact O-CG2 3Å; K444-V448 PolarHBondContact O-N 3.14Å |
| 445 | A | 97.9 | Very high | 98 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.4 | -48.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T439 D441 I442 V448 A449 V459 | T439-A445 HydrophobicContact CG2-CB 3.75Å; D441-A445 PolarHBondContact O-N 3.14Å; I442-A445 PolarHBondContact O-N 2.59Å; A445-V448 PolarHBondContact O-N 3.26Å; A445-A449 VanDerWaalsContact O-CB 3.28Å; A445-A449 WeakPolarHBondContact O-CB 3.33Å; A445-A449 PolarHBondContact O-N 3.17Å; A445-V459 HydrophobicContact CB-CG1 3.69Å; A445-V459 HydrophobicContact CB-CG2 4.36Å |
| 446 | L | 97.7 | Very high | 98 | Very high | 91 Ų | 91 | 53 Ų | 53 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 178.7 | -69 | 176.5 | 0 | 0 | 0 | 111.9 | I442 K444 A449 N450 | I442-L446 HydrophobicContact CG1-CD1 4.02Å; I442-L446 HydrophobicContact CG1-CG 4.17Å; I442-L446 WeakPolarHBondContact O-CB 3.33Å; I442-L446 VanDerWaalsContact O-CG 3.29Å; I442-L446 WeakPolarHBondContact O-CG 3.32Å; I442-L446 PolarHBondContact O-N 2.78Å; K444-L446 PolarHBondContact O-N 3.47Å; L446-A449 PolarHBondContact O-N 3.18Å; L446-N450 WeakPolarHBondContact O-CB 3.48Å; L446-N450 PolarHBondContact O-N 3.03Å; L446-N450 PolarHBondContact O-ND2 2.89Å |
| 447 | Y | 97.8 | Very high | 98 | Very high | 106 Ų | 106 | 54.9 Ų | 54.9 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 175.8 | -176.7 | -88.1 | 0 | 0 | 0 | 111.1 | M419 V423 D443 K444 N450 N451 | M419-Y447 HydrophobicContact CE-CD1 4.39Å; M419-Y447 HydrophobicContact CG-CD1 3.5Å; M419-Y447 HydrophobicContact CG-CE1 3.37Å; M419-Y447 HydrophobicContact SD-CD1 3.7Å; M419-Y447 HydrophobicContact SD-CE1 4.07Å; V423-Y447 HydrophobicContact CG2-CE1 4.04Å; D443-Y447 WeakPolarHBondContact O-CB 3.4Å; D443-Y447 PolarHBondContact O-N 3.33Å; K444-Y447 PolarHBondContact O-N 3.38Å; Y447-N450 PolarHBondContact O-N 3.25Å; Y447-N451 WeakPolarHBondContact O-CB 3.43Å; Y447-N451 PolarHBondContact O-N 3.26Å; Y447-N451 VanDerWaalsContact O-N 3.17Å; Y447-N451 PolarHBondContact O-ND2 2.95Å |
| 448 | V | 97.6 | Very high | 98 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | I282 F284 M419 L422 V437 K444 A445 N450 N451 I452 | I282-V448 HydrophobicContact CD1-CG1 3.62Å; F284-V448 HydrophobicContact CE2-CG2 3.99Å; F284-V448 HydrophobicContact CZ-CG2 3.99Å; M419-V448 HydrophobicContact CE-CG2 4.11Å; M419-V448 HydrophobicContact SD-CG2 3.55Å; M419-V448 VanDerWaalsContact SD-CG2 3.55Å; L422-V448 HydrophobicContact CD2-CG2 4.46Å; V437-V448 HydrophobicContact CB-CB 4.48Å; V437-V448 HydrophobicContact CB-CG1 4.01Å; V437-V448 HydrophobicContact CG1-CG1 4.47Å; V437-V448 HydrophobicContact CG2-CB 4.14Å; V437-V448 HydrophobicContact CG2-CG1 4.06Å; V437-V448 HydrophobicContact CG2-CG2 4.27Å; K444-V448 WeakPolarHBondContact O-CG2 3Å; K444-V448 PolarHBondContact O-N 3.14Å; A445-V448 PolarHBondContact O-N 3.26Å; V448-N450 VanDerWaalsContact C-N 3.25Å; V448-N450 PolarHBondContact O-N 2.86Å; V448-N451 PolarHBondContact O-N 3.15Å; V448-N451 VanDerWaalsContact O-N 3.08Å; V448-I452 HydrophobicContact CG1-CG1 3.64Å; V448-I452 WeakPolarHBondContact O-CG1 2.99Å; V448-I452 PolarHBondContact O-N 3.01Å |
| 449 | A | 97.7 | Very high | 98 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59 | -34.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A445 L446 V457 | A445-A449 VanDerWaalsContact O-CB 3.28Å; A445-A449 WeakPolarHBondContact O-CB 3.33Å; A445-A449 PolarHBondContact O-N 3.17Å; L446-A449 PolarHBondContact O-N 3.18Å; A449-V457 HydrophobicContact CB-CB 4.28Å; A449-V457 HydrophobicContact CB-CG1 4.01Å |
| 450 | N | 97.6 | Very high | 97.9 | Very high | 129 Ų | 129 | 62.1 Ų | 62.1 | 69% | 0.69 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -84 | -18.5 | 178.4 | -75.1 | -76 | 0 | 0 | 0 | 114.1 | L446 Y447 V448 | L446-N450 WeakPolarHBondContact O-CB 3.48Å; L446-N450 PolarHBondContact O-N 3.03Å; L446-N450 PolarHBondContact O-ND2 2.89Å; Y447-N450 PolarHBondContact O-N 3.25Å; V448-N450 VanDerWaalsContact C-N 3.25Å; V448-N450 PolarHBondContact O-N 2.86Å |
| 451 | N | 98 | Very high | 97.8 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -108.7 | -14.9 | -175.5 | -71.6 | -84 | 0 | 0 | 0 | 113.9 | V423 N427 Y447 V448 | V423-N451 HydrophobicContact CG1-CB 3.9Å; V423-N451 HydrophobicContact CG2-CB 4.31Å; N427-N451 PolarHBondContact ND2-O 3.31Å; Y447-N451 WeakPolarHBondContact O-CB 3.43Å; Y447-N451 PolarHBondContact O-N 3.26Å; Y447-N451 VanDerWaalsContact O-N 3.17Å; Y447-N451 PolarHBondContact O-ND2 2.95Å; V448-N451 PolarHBondContact O-N 3.15Å; V448-N451 VanDerWaalsContact O-N 3.08Å |
| 452 | I | 97.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -80.1 | 128.1 | 170.6 | -62.6 | -56.5 | 0 | 0 | 0 | 110.2 | P280 I282 V423 A426 A435 V448 A454 | P280-I452 HydrophobicContact CG-CG2 4.24Å; I282-I452 HydrophobicContact CD1-CD1 4.31Å; I282-I452 HydrophobicContact CD1-CG1 4.31Å; V423-I452 HydrophobicContact CG1-CD1 4.48Å; V423-I452 HydrophobicContact CG2-CD1 4.39Å; A426-I452 HydrophobicContact CB-CD1 3.42Å; A426-I452 VanDerWaalsContact CB-CD1 3.42Å; A435-I452 HydrophobicContact CB-CG2 3.77Å; V448-I452 HydrophobicContact CG1-CG1 3.64Å; V448-I452 WeakPolarHBondContact O-CG1 2.99Å; V448-I452 PolarHBondContact O-N 3.01Å; I452-A454 VanDerWaalsContact C-N 3.29Å; I452-A454 HydrophobicContact CG2-CB 3.98Å; I452-A454 PolarHBondContact O-N 3.42Å |
| 453 | Q | 98.2 | Very high | 97.6 | Very high | 94 Ų | 94 | 50 Ų | 50 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | trans | -84.7 | 69.5 | -179.8 | -63.3 | 176.6 | -9.2 | 0 | 0 | 110.5 | N427 G432 Y474 | N427-Q453 PolarHBondContact OD1-N 3.49Å; G432-Q453 VanDerWaalsContact CA-O 3.26Å; G432-Q453 WeakPolarHBondContact CA-O 3.18Å; Q453-Y474 HydrophobicContact CB-CD2 4.25Å | ||
| 454 | A | 98.5 | Very high | 97.5 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | trans | -126.8 | 151.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G432 A435 I452 T456 V457 Y474 | G432-A454 WeakPolarHBondContact O-CA 3.24Å; A435-A454 HydrophobicContact CB-CB 4Å; I452-A454 VanDerWaalsContact C-N 3.29Å; I452-A454 HydrophobicContact CG2-CB 3.98Å; I452-A454 PolarHBondContact O-N 3.42Å; A454-T456 VanDerWaalsContact C-N 3.35Å; A454-V457 HydrophobicContact CB-CG2 4.36Å; A454-Y474 WeakPolarHBondContact O-CE1 3.44Å | ||
| 455 | G | 98 | Very high | 97.3 | Very high | 24 Ų | 24 | 48.1 Ų | 48.1 | 25% | 0.247 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -65.6 | -33.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G432 L433 G472 | G432-G455 PolarHBondContact O-N 3.1Å; L433-G455 VanDerWaalsContact O-CA 3.28Å; L433-G455 WeakPolarHBondContact O-CA 3.33Å; L433-G455 PolarHBondContact O-N 3.24Å; G455-G472 WeakPolarHBondContact CA-O 3.35Å |
| 456 | T | 98.4 | Very high | 97.3 | Very high | 31 Ų | 31 | 51.6 Ų | 51.6 | 19% | 0.19 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133.7 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 109.1 | L433 A434 A435 A454 W458 | L433-T456 PolarHBondContact O-N 2.76Å; A434-T456 CarbonylContact C-O 3.54Å; A434-T456 WeakPolarHBondContact CA-O 3.44Å; A435-T456 PolarHBondContact N-O 3.12Å; A454-T456 VanDerWaalsContact C-N 3.35Å; T456-W458 HydrophobicContact CG2-CD2 4.25Å; T456-W458 HydrophobicContact CG2-CZ2 3.96Å |
| 457 | V | 98.5 | Very high | 97.2 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.5 | 172.3 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | A435 V437 A449 A454 | A435-V457 HydrophobicContact CB-CG1 4.33Å; A435-V457 HydrophobicContact CB-CG2 4.28Å; A435-V457 WeakPolarHBondContact O-CA 3.49Å; V437-V457 HydrophobicContact CG1-CG1 4.37Å; A449-V457 HydrophobicContact CB-CB 4.28Å; A449-V457 HydrophobicContact CB-CG1 4.01Å; A454-V457 HydrophobicContact CB-CG2 4.36Å |
| 458 | W | 98.2 | Very high | 97.2 | Very high | 16 Ų | 16 | 47 Ų | 47 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 136 | 174.4 | -59.9 | -69.7 | 0 | 0 | 0 | 110.7 | T309 A434 A435 G436 V437 T456 C461 Y462 V464 F465 | T309-W458 HydrophobicContact CG2-CH2 3.98Å; A434-W458 HydrophobicContact CB-CE3 4.43Å; A434-W458 HydrophobicContact CB-CH2 3.68Å; A434-W458 HydrophobicContact CB-CZ3 3.56Å; A435-W458 PolarHBondContact O-N 2.89Å; G436-W458 CarbonylContact C-O 3.57Å; G436-W458 WeakPolarHBondContact CA-O 3.37Å; V437-W458 PolarHBondContact N-O 3.1Å; T456-W458 HydrophobicContact CG2-CD2 4.25Å; T456-W458 HydrophobicContact CG2-CZ2 3.96Å; W458-C461 WeakPolarHBondContact CB-O 3.45Å; W458-Y462 HydrophobicContact CE3-CD1 4.04Å; W458-Y462 HydrophobicContact CE3-CD2 4Å; W458-Y462 HydrophobicContact CE3-CE1 4.08Å; W458-Y462 HydrophobicContact CE3-CE2 4.05Å; W458-Y462 AromaticContact CE3-CG 3.99Å; W458-Y462 HydrophobicContact CE3-CG 3.99Å; W458-Y462 AromaticContact CZ3-CD1 3.87Å; W458-Y462 HydrophobicContact CZ3-CD1 3.87Å; W458-Y462 HydrophobicContact CZ3-CD2 4.5Å; W458-Y462 AromaticContact CZ3-CE1 3.61Å; W458-Y462 HydrophobicContact CZ3-CE1 3.61Å; W458-Y462 HydrophobicContact CZ3-CE2 4.29Å; W458-Y462 HydrophobicContact CZ3-CG 4.3Å; W458-Y462 AromaticContact CZ3-CZ 3.82Å; W458-V464 PolarHBondContact NE1-O 3.13Å; W458-F465 HydrophobicContact CH2-CZ 4.26Å; W458-F465 HydrophobicContact CZ2-CE2 4.24Å; W458-F465 HydrophobicContact CZ2-CZ 4.11Å |
| 459 | V | 97.8 | Very high | 97.2 | Very high | 61 Ų | 61 | 49.1 Ų | 49.1 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123 | 176.1 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | V437 A445 C461 | V437-V459 HydrophobicContact CG1-CB 4.22Å; V437-V459 HydrophobicContact CG1-CG1 4.32Å; V437-V459 HydrophobicContact CG1-CG2 3.73Å; V437-V459 CarbonylContact O-C 3.58Å; V437-V459 WeakPolarHBondContact O-CA 3.28Å; A445-V459 HydrophobicContact CB-CG1 3.69Å; A445-V459 HydrophobicContact CB-CG2 4.36Å; V459-C461 PolarHBondContact O-N 2.75Å; V459-C461 VanDerWaalsContact O-N 3.13Å; V459-C461 PolarHBondContact O-SG 2.79Å |
| 460 | N | 96.8 | Very high | 97.2 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 54.1 | 27.5 | -178.7 | -63 | -36.8 | 0 | 0 | 0 | 114.7 | V437 F438 T439 | V437-N460 PolarHBondContact O-N 3.34Å; F438-N460 VanDerWaalsContact CA-OD1 3.29Å; F438-N460 WeakPolarHBondContact CA-OD1 3.37Å; T439-N460 PolarHBondContact N-OD1 3.04Å; T439-N460 PolarHBondContact O-ND2 3.29Å; T439-N460 PolarHBondContact O-OD1 2.66Å; T439-N460 VanDerWaalsContact O-OD1 3.08Å |
| 461 | C | 96.3 | Very high | 97.3 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 25% | 0.25 | 26% | 0.263 | C | S | . | . | trans | -159.2 | 173.2 | 173.3 | 55.7 | 0 | 0 | 0 | 0 | 109 | F438 W458 V459 V464 | F438-C461 WeakPolarHBondContact CZ-O 3.39Å; W458-C461 WeakPolarHBondContact CB-O 3.45Å; V459-C461 PolarHBondContact O-N 2.75Å; V459-C461 VanDerWaalsContact O-N 3.13Å; V459-C461 PolarHBondContact O-SG 2.79Å; C461-V464 HydrophobicContact CB-CG2 3.95Å | ||
| 462 | Y | 97.2 | Very high | 97.3 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -149.4 | 149.6 | 175.9 | -148.9 | -86.1 | 0 | 0 | 0 | 111 | S279 N281 G299 T309 G311 F438 W458 V464 | S279-Y462 WeakPolarHBondContact CB-OH 3.32Å; N281-Y462 HydrophobicContact CB-CE2 3.84Å; G299-Y462 VanDerWaalsContact CA-CD1 3.42Å; T309-Y462 VanDerWaalsContact O-CE1 3.31Å; T309-Y462 WeakPolarHBondContact O-CE1 3.46Å; T309-Y462 PolarHBondContact O-OH 3.24Å; G311-Y462 WeakPolarHBondContact CA-OH 3.4Å; G311-Y462 PolarHBondContact N-OH 2.74Å; F438-Y462 HydrophobicContact CE2-CD2 4.41Å; W458-Y462 HydrophobicContact CE3-CD1 4.04Å; W458-Y462 HydrophobicContact CE3-CD2 4Å; W458-Y462 HydrophobicContact CE3-CE1 4.08Å; W458-Y462 HydrophobicContact CE3-CE2 4.05Å; W458-Y462 AromaticContact CE3-CG 3.99Å; W458-Y462 HydrophobicContact CE3-CG 3.99Å; W458-Y462 AromaticContact CZ3-CD1 3.87Å; W458-Y462 HydrophobicContact CZ3-CD1 3.87Å; W458-Y462 HydrophobicContact CZ3-CD2 4.5Å; W458-Y462 AromaticContact CZ3-CE1 3.61Å; W458-Y462 HydrophobicContact CZ3-CE1 3.61Å; W458-Y462 HydrophobicContact CZ3-CE2 4.29Å; W458-Y462 HydrophobicContact CZ3-CG 4.3Å; W458-Y462 AromaticContact CZ3-CZ 3.82Å; Y462-V464 PolarHBondContact O-N 2.89Å |
| 463 | N | 94.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 55 | 32.5 | 179.1 | -73.2 | -22.2 | 0 | 0 | 0 | 114.7 | G299 T309 F465 | G299-N463 PolarHBondContact O-ND2 3.44Å; T309-N463 PolarHBondContact OG1-OD1 2.77Å; N463-F465 HydrophobicContact CB-CE2 4.15Å; N463-F465 VanDerWaalsContact O-CD2 3.27Å; N463-F465 WeakPolarHBondContact O-CD2 3.34Å |
| 464 | V | 95.1 | Very high | 97.3 | Very high | 91 Ų | 91 | 42.2 Ų | 42.2 | 55% | 0.552 | 25% | 0.246 | S | C | * | . | trans | -87.4 | 111.6 | 173.3 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | W458 C461 Y462 | W458-V464 PolarHBondContact NE1-O 3.13Å; C461-V464 HydrophobicContact CB-CG2 3.95Å; Y462-V464 PolarHBondContact O-N 2.89Å | ||
| 465 | F | 94.8 | Very high | 97.2 | Very high | 47 Ų | 47 | 45.7 Ų | 45.7 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | trans | -111 | 142.8 | 178.3 | -66.1 | -93 | 0 | 0 | 0 | 110.8 | W156 T309 W458 N463 F471 | W156-F465 AromaticContact CH2-CD1 3.62Å; W156-F465 HydrophobicContact CH2-CD1 3.62Å; W156-F465 AromaticContact CH2-CE1 3.8Å; W156-F465 HydrophobicContact CH2-CE1 3.8Å; W156-F465 HydrophobicContact CH2-CG 4.47Å; W156-F465 HydrophobicContact CZ2-CD1 4.05Å; T309-F465 HydrophobicContact CG2-CZ 3.98Å; W458-F465 HydrophobicContact CH2-CZ 4.26Å; W458-F465 HydrophobicContact CZ2-CE2 4.24Å; W458-F465 HydrophobicContact CZ2-CZ 4.11Å; N463-F465 HydrophobicContact CB-CE2 4.15Å; N463-F465 VanDerWaalsContact O-CD2 3.27Å; N463-F465 WeakPolarHBondContact O-CD2 3.34Å; F465-F471 HydrophobicContact CD1-CD2 4.09Å; F465-F471 HydrophobicContact CD1-CE2 4.41Å; F465-F471 AromaticContact CE1-CD2 3.5Å; F465-F471 HydrophobicContact CE1-CD2 3.5Å; F465-F471 VanDerWaalsContact CE1-CD2 3.5Å; F465-F471 HydrophobicContact CE1-CE1 4.47Å; F465-F471 AromaticContact CE1-CE2 3.41Å; F465-F471 HydrophobicContact CE1-CE2 3.41Å; F465-F471 VanDerWaalsContact CE1-CE2 3.41Å; F465-F471 HydrophobicContact CE1-CG 4.09Å; F465-F471 AromaticContact CE1-CZ 3.91Å; F465-F471 HydrophobicContact CE1-CZ 3.91Å; F465-F471 HydrophobicContact CZ-CE2 4.04Å; F465-F471 HydrophobicContact CZ-CZ 4.4Å | ||
| 466 | D | 96 | Very high | 97.3 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | trans | -140.8 | 137.8 | 172.4 | -170.1 | -76.7 | 0 | 0 | 0 | 109.3 | T468 A469 | D466-T468 PolarHBondContact O-N 3.21Å; D466-T468 VanDerWaalsContact O-N 3.09Å; D466-T468 WeakPolarHBondContact OD1-CB 3.43Å; D466-T468 WeakPolarHBondContact OD1-CG2 3.36Å; D466-T468 PolarHBondContact OD1-N 3Å; D466-T468 PolarHBondContact OD1-OG1 3.39Å; D466-A469 PolarHBondContact O-N 2.95Å | ||
| 467 | A | 97.4 | Very high | 97.3 | Very high | 14 Ų | 14 | 46.2 Ų | 46.2 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y110 G484 | Y110-A467 HydrophobicContact CD1-CB 3.95Å; Y110-A467 WeakPolarHBondContact CD1-O 3.18Å; Y110-A467 HydrophobicContact CD2-CB 4.46Å; Y110-A467 WeakPolarHBondContact CE1-O 3.26Å; Y110-A467 HydrophobicContact CG-CB 3.78Å; A467-G484 WeakPolarHBondContact O-CA 3.33Å; A467-G484 PolarHBondContact O-N 2.63Å |
| 468 | T | 97.4 | Very high | 97.3 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 53% | 0.528 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -23.4 | 177.3 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | Y110 D466 G484 | Y110-T468 HydrophobicContact CD2-CG2 3.93Å; Y110-T468 HydrophobicContact CE2-CG2 3.6Å; D466-T468 PolarHBondContact O-N 3.21Å; D466-T468 VanDerWaalsContact O-N 3.09Å; D466-T468 WeakPolarHBondContact OD1-CB 3.43Å; D466-T468 WeakPolarHBondContact OD1-CG2 3.36Å; D466-T468 PolarHBondContact OD1-N 3Å; D466-T468 PolarHBondContact OD1-OG1 3.39Å; T468-G484 VanDerWaalsContact O-CA 3.25Å; T468-G484 WeakPolarHBondContact O-CA 3.4Å |
| 469 | A | 97.8 | Very high | 97.2 | Very high | 47 Ų | 47 | 48 Ų | 48 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -93.4 | 134.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D466 L483 | D466-A469 PolarHBondContact O-N 2.95Å; A469-L483 WeakPolarHBondContact O-CB 3.45Å |
| 470 | P | 98.1 | Very high | 97 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | trans | -68.4 | 141.3 | 175 | 30.8 | -34.5 | 0 | 0 | 0 | 110.4 | R481 E482 Y486 | P470-R481 HydrophobicContact CB-CB 4.24Å; P470-R481 HydrophobicContact CB-CG 4.35Å; P470-E482 CarbonylContact C-O 3.52Å; P470-E482 WeakPolarHBondContact CA-O 3.36Å; P470-Y486 HydrophobicContact CG-CD2 4.34Å | ||
| 471 | F | 98.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -122.3 | 137.6 | 175.7 | -178.3 | -98.4 | 0 | 0 | 0 | 110 | W156 T309 L433 F465 R481 E482 L483 | W156-F471 HydrophobicContact CH2-CD1 4.13Å; W156-F471 HydrophobicContact CH2-CG 4.28Å; W156-F471 HydrophobicContact CZ3-CB 4.3Å; W156-F471 AromaticContact CZ3-CD1 3.55Å; W156-F471 HydrophobicContact CZ3-CD1 3.55Å; W156-F471 HydrophobicContact CZ3-CE1 4.12Å; W156-F471 HydrophobicContact CZ3-CG 4.05Å; T309-F471 HydrophobicContact CG2-CE2 3.61Å; T309-F471 HydrophobicContact CG2-CZ 3.43Å; T309-F471 VanDerWaalsContact CG2-CZ 3.43Å; L433-F471 HydrophobicContact CD1-CE1 4Å; L433-F471 HydrophobicContact CD1-CE2 4.5Å; L433-F471 HydrophobicContact CD1-CZ 3.77Å; L433-F471 HydrophobicContact CD2-CZ 3.96Å; L433-F471 HydrophobicContact CG-CZ 3.84Å; F465-F471 HydrophobicContact CD1-CD2 4.09Å; F465-F471 HydrophobicContact CD1-CE2 4.41Å; F465-F471 AromaticContact CE1-CD2 3.5Å; F465-F471 HydrophobicContact CE1-CD2 3.5Å; F465-F471 VanDerWaalsContact CE1-CD2 3.5Å; F465-F471 HydrophobicContact CE1-CE1 4.47Å; F465-F471 AromaticContact CE1-CE2 3.41Å; F465-F471 HydrophobicContact CE1-CE2 3.41Å; F465-F471 VanDerWaalsContact CE1-CE2 3.41Å; F465-F471 HydrophobicContact CE1-CG 4.09Å; F465-F471 AromaticContact CE1-CZ 3.91Å; F465-F471 HydrophobicContact CE1-CZ 3.91Å; F465-F471 HydrophobicContact CZ-CE2 4.04Å; F465-F471 HydrophobicContact CZ-CZ 4.4Å; F471-R481 CarbonylContact O-C 3.22Å; F471-R481 VanDerWaalsContact O-CA 3.32Å; F471-R481 WeakPolarHBondContact O-CA 3.46Å; F471-R481 WeakPolarHBondContact O-CD 3.17Å; F471-E482 PolarHBondContact N-O 2.74Å; F471-E482 PolarHBondContact O-N 3.2Å; F471-L483 HydrophobicContact CB-CD1 4.29Å |
| 472 | G | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | 155.8 | 163.3 | 169 | 0 | 0 | 0 | 0 | 0 | 115.9 | E274 G455 R481 | E274-G472 VanDerWaalsContact CD-CA 3.43Å; E274-G472 WeakPolarHBondContact OE1-CA 2.83Å; E274-G472 WeakPolarHBondContact OE2-CA 3.19Å; G455-G472 WeakPolarHBondContact CA-O 3.35Å; G472-R481 VanDerWaalsContact O-CZ 3.26Å; G472-R481 PolarHBondContact O-NH1 3.37Å | ||
| 473 | G | 97.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | -79.2 | 159.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | R481 | G473-R481 PolarHBondContact O-NH1 2.7Å; G473-R481 PolarHBondContact O-NH2 3.05Å | ||
| 474 | Y | 97.9 | Very high | 97.4 | Very high | 115 Ų | 115 | 42.1 Ų | 42.1 | 45% | 0.451 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -94.3 | 165.6 | 155.8 | -80.4 | 48.6 | 0 | 0 | 0 | 109.2 | G432 Q453 A454 M476 S477 | G432-Y474 WeakPolarHBondContact O-CB 3.34Å; G432-Y474 PolarHBondContact O-N 3.44Å; Q453-Y474 HydrophobicContact CB-CD2 4.25Å; A454-Y474 WeakPolarHBondContact O-CE1 3.44Å; Y474-M476 PolarHBondContact O-N 2.64Å; Y474-S477 WeakPolarHBondContact O-CB 3.41Å; Y474-S477 PolarHBondContact O-N 3.36Å; Y474-S477 VanDerWaalsContact O-N 3.08Å |
| 475 | K | 98.2 | Very high | 97.5 | Very high | 82 Ų | 82 | 43.2 Ų | 43.2 | 36% | 0.357 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | 52.7 | -129.8 | 173.8 | -52.7 | 177.8 | -172.2 | 164.9 | 0 | 112.2 | N427 T429 I430 Y431 S477 | N427-K475 PolarHBondContact O-NZ 3.36Å; T429-K475 PolarHBondContact O-NZ 3.01Å; I430-K475 WeakPolarHBondContact O-CB 3.32Å; Y431-K475 WeakPolarHBondContact O-CD 3.29Å; Y431-K475 PolarHBondContact O-NZ 3.18Å; K475-S477 VanDerWaalsContact C-N 3.29Å; K475-S477 PolarHBondContact O-N 3.48Å |
| 476 | M | 98.3 | Very high | 97.6 | Very high | 66 Ų | 66 | 48.3 Ų | 48.3 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -85.9 | 4.8 | -179 | -54.9 | -166.1 | 70.3 | 0 | 0 | 113.9 | T253 L275 I430 Y474 G478 | T253-M476 HydrophobicContact CG2-CB 4.06Å; T253-M476 HydrophobicContact CG2-CE 3.91Å; T253-M476 PolarHBondContact OG1-O 3.47Å; L275-M476 WeakPolarHBondContact CD1-O 3.34Å; I430-M476 HydrophobicContact CB-CB 4.47Å; I430-M476 HydrophobicContact CB-CG 4.25Å; I430-M476 HydrophobicContact CB-SD 3.92Å; I430-M476 HydrophobicContact CD1-SD 3.99Å; I430-M476 HydrophobicContact CG1-SD 4.43Å; I430-M476 HydrophobicContact CG2-SD 4.39Å; I430-M476 WeakPolarHBondContact O-CB 3.47Å; I430-M476 PolarHBondContact O-N 2.94Å; Y474-M476 PolarHBondContact O-N 2.64Å; M476-G478 PolarHBondContact O-N 2.86Å |
| 477 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -79.7 | -1.7 | 171 | -70.1 | 0 | 0 | 0 | 0 | 113.1 | L275 G276 Y431 G432 L433 Y474 K475 | L275-S477 PolarHBondContact N-O 2.97Å; G276-S477 WeakPolarHBondContact O-CB 3.46Å; G276-S477 PolarHBondContact O-OG 3.44Å; Y431-S477 WeakPolarHBondContact CA-OG 3.1Å; Y431-S477 WeakPolarHBondContact CB-OG 3.16Å; G432-S477 PolarHBondContact N-OG 2.98Å; L433-S477 PolarHBondContact N-OG 2.8Å; Y474-S477 WeakPolarHBondContact O-CB 3.41Å; Y474-S477 PolarHBondContact O-N 3.36Å; Y474-S477 VanDerWaalsContact O-N 3.08Å; K475-S477 VanDerWaalsContact C-N 3.29Å; K475-S477 PolarHBondContact O-N 3.48Å |
| 478 | G | 98.1 | Very high | 97.8 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.2 | -177.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L273 M476 | L273-G478 CarbonylContact O-C 3.41Å; L273-G478 WeakPolarHBondContact O-CA 3.29Å; M476-G478 PolarHBondContact O-N 2.86Å |
| 479 | F | 96.5 | Very high | 97.7 | Very high | 86 Ų | 86 | 43.7 Ų | 43.7 | 38% | 0.377 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 155.7 | 174.3 | 62.6 | -97.2 | 0 | 0 | 0 | 110.7 | M260 L271 S272 L273 | M260-F479 HydrophobicContact SD-CE1 4.09Å; M260-F479 HydrophobicContact SD-CZ 4.45Å; L271-F479 HydrophobicContact CB-CE2 4.04Å; L271-F479 HydrophobicContact CB-CZ 4.06Å; L271-F479 HydrophobicContact CD2-CZ 3.84Å; L271-F479 HydrophobicContact CG-CE2 4.17Å; L271-F479 HydrophobicContact CG-CZ 3.84Å; L271-F479 VanDerWaalsContact O-CE2 3.28Å; L271-F479 WeakPolarHBondContact O-CE2 3.36Å; S272-F479 WeakPolarHBondContact CA-O 3.04Å; L273-F479 HydrophobicContact CB-CE1 4.46Å; L273-F479 HydrophobicContact CD1-CD1 4.14Å; L273-F479 HydrophobicContact CD1-CE1 3.45Å; L273-F479 VanDerWaalsContact CD1-CE1 3.45Å; L273-F479 HydrophobicContact CD1-CZ 3.98Å; L273-F479 HydrophobicContact CG-CD1 4.47Å; L273-F479 HydrophobicContact CG-CE1 3.94Å; L273-F479 HydrophobicContact CG-CZ 4.12Å; L273-F479 PolarHBondContact N-O 3.36Å; L273-F479 PolarHBondContact O-N 3.16Å; L273-F479 VanDerWaalsContact O-N 3.07Å |
| 480 | G | 94.8 | Very high | 97.7 | Very high | 28 Ų | 28 | 42.5 Ų | 42.5 | 29% | 0.289 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 85.2 | 179 | -158 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 481 | R | 98 | Very high | 97.7 | Very high | 63 Ų | 63 | 40 Ų | 40 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | trans | -137 | 148.5 | 171.6 | -65.4 | -65.6 | 178.4 | -101.9 | 9.3 | 108.6 | P470 F471 G472 G473 G487 S490 | P470-R481 HydrophobicContact CB-CB 4.24Å; P470-R481 HydrophobicContact CB-CG 4.35Å; F471-R481 CarbonylContact O-C 3.22Å; F471-R481 VanDerWaalsContact O-CA 3.32Å; F471-R481 WeakPolarHBondContact O-CA 3.46Å; F471-R481 WeakPolarHBondContact O-CD 3.17Å; G472-R481 VanDerWaalsContact O-CZ 3.26Å; G472-R481 PolarHBondContact O-NH1 3.37Å; G473-R481 PolarHBondContact O-NH1 2.7Å; G473-R481 PolarHBondContact O-NH2 3.05Å; R481-G487 WeakPolarHBondContact O-CA 3.38Å; R481-S490 PolarHBondContact O-OG 2.67Å | ||
| 482 | E | 98 | Very high | 97.7 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -102.8 | 166.4 | 163.7 | -58.2 | -165.5 | 148.5 | 0 | 0 | 108.9 | W156 K157 E274 P470 F471 | W156-E482 HydrophobicContact CE3-CB 4.19Å; K157-E482 IonicContact NZ-OE1 2.79Å; K157-E482 PolarHBondContact NZ-OE1 2.72Å; K157-E482 IonicContact NZ-OE2 3.49Å; E274-E482 HydrophobicContact CG-CG 3.88Å; P470-E482 CarbonylContact C-O 3.52Å; P470-E482 WeakPolarHBondContact CA-O 3.36Å; F471-E482 PolarHBondContact N-O 2.74Å; F471-E482 PolarHBondContact O-N 3.2Å |
| 483 | L | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 60.3 | 175.6 | -177.4 | -53.8 | -174.8 | 0 | 0 | 0 | 114.3 | Y111 W156 A469 F471 G487 | Y111-L483 HydrophobicContact CE2-CD2 4.36Å; Y111-L483 WeakPolarHBondContact OH-CA 3.47Å; Y111-L483 PolarHBondContact OH-N 3.45Å; Y111-L483 VanDerWaalsContact OH-N 3.14Å; Y111-L483 PolarHBondContact OH-O 2.64Å; W156-L483 HydrophobicContact CD2-CD1 4.13Å; W156-L483 HydrophobicContact CD2-CD2 3.77Å; W156-L483 HydrophobicContact CD2-CG 3.96Å; W156-L483 HydrophobicContact CE3-CD1 4.31Å; W156-L483 HydrophobicContact CE3-CD2 4.4Å; W156-L483 HydrophobicContact CE3-CG 4.12Å; W156-L483 HydrophobicContact CG-CD2 3.8Å; W156-L483 HydrophobicContact CG-CG 4.48Å; W156-L483 HydrophobicContact CH2-CD1 3.79Å; W156-L483 HydrophobicContact CH2-CG 4.47Å; W156-L483 HydrophobicContact CZ2-CD1 3.57Å; W156-L483 HydrophobicContact CZ2-CG 4.32Å; W156-L483 HydrophobicContact CZ3-CD1 4.16Å; W156-L483 HydrophobicContact CZ3-CG 4.38Å; A469-L483 WeakPolarHBondContact O-CB 3.45Å; F471-L483 HydrophobicContact CB-CD1 4.29Å; L483-G487 VanDerWaalsContact O-CA 3.25Å; L483-G487 WeakPolarHBondContact O-CA 3.22Å; L483-G487 PolarHBondContact O-N 2.88Å |
| 484 | G | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -173.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y110 Y111 A467 T468 Y486 | Y110-G484 VanDerWaalsContact OH-C 3.31Å; Y110-G484 WeakPolarHBondContact OH-CA 3.27Å; Y111-G484 PolarHBondContact OH-O 2.82Å; A467-G484 WeakPolarHBondContact O-CA 3.33Å; A467-G484 PolarHBondContact O-N 2.63Å; T468-G484 VanDerWaalsContact O-CA 3.25Å; T468-G484 WeakPolarHBondContact O-CA 3.4Å; G484-Y486 VanDerWaalsContact C-N 3.34Å |
| 485 | Q | 97.8 | Very high | 97.7 | Very high | 115 Ų | 115 | 46 Ų | 46 | 54% | 0.537 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -38.6 | 173.3 | -177.1 | 180 | 5.2 | 0 | 0 | 111.4 | Y110 W114 G487 L488 | Y110-Q485 PolarHBondContact OH-N 2.81Å; W114-Q485 HydrophobicContact CH2-CB 3.93Å; W114-Q485 HydrophobicContact CH2-CG 3.6Å; W114-Q485 HydrophobicContact CZ2-CB 3.81Å; W114-Q485 HydrophobicContact CZ2-CG 4.02Å; W114-Q485 HydrophobicContact CZ3-CG 4.12Å; Q485-G487 VanDerWaalsContact C-N 3.25Å; Q485-G487 PolarHBondContact O-N 2.77Å; Q485-L488 WeakPolarHBondContact O-CB 3.14Å; Q485-L488 PolarHBondContact O-N 3.49Å; Q485-L488 VanDerWaalsContact O-N 3.11Å |
| 486 | Y | 97.3 | Very high | 97.6 | Very high | 153 Ų | 153 | 45.5 Ų | 45.5 | 60% | 0.6 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -62.7 | -29.6 | -179 | -74.6 | -89.6 | 0 | 0 | 0 | 112.7 | P470 G484 L488 D489 | P470-Y486 HydrophobicContact CG-CD2 4.34Å; G484-Y486 VanDerWaalsContact C-N 3.34Å; Y486-L488 PolarHBondContact O-N 3.48Å; Y486-D489 VanDerWaalsContact O-CB 3.3Å; Y486-D489 WeakPolarHBondContact O-CB 3.11Å; Y486-D489 PolarHBondContact O-N 2.86Å; Y486-D489 VanDerWaalsContact O-N 3.14Å |
| 487 | G | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -63.8 | -25.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R481 L483 Q485 D489 S490 | R481-G487 WeakPolarHBondContact O-CA 3.38Å; L483-G487 VanDerWaalsContact O-CA 3.25Å; L483-G487 WeakPolarHBondContact O-CA 3.22Å; L483-G487 PolarHBondContact O-N 2.88Å; Q485-G487 VanDerWaalsContact C-N 3.25Å; Q485-G487 PolarHBondContact O-N 2.77Å; G487-D489 VanDerWaalsContact C-N 3.26Å; G487-D489 PolarHBondContact O-N 2.85Å; G487-S490 WeakPolarHBondContact O-CB 3.45Å; G487-S490 PolarHBondContact O-N 2.85Å |
| 488 | L | 98.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -67.4 | -27.3 | 175.6 | -61.5 | 168.3 | 0 | 0 | 0 | 112.2 | Y111 W114 I118 P160 Q485 Y486 S490 Y491 T492 | Y111-L488 HydrophobicContact CD1-CD2 3.7Å; Y111-L488 HydrophobicContact CD1-CG 4.46Å; Y111-L488 HydrophobicContact CE1-CD2 3.61Å; Y111-L488 HydrophobicContact CE1-CG 3.99Å; W114-L488 HydrophobicContact CB-CD1 4.04Å; W114-L488 HydrophobicContact CB-CD2 4.44Å; W114-L488 HydrophobicContact CD2-CD1 3.58Å; W114-L488 HydrophobicContact CE3-CD1 3.58Å; W114-L488 HydrophobicContact CG-CD1 3.8Å; W114-L488 HydrophobicContact CZ3-CD1 4.27Å; I118-L488 HydrophobicContact CD1-CD2 4.33Å; I118-L488 HydrophobicContact CG1-CD1 4.2Å; P160-L488 HydrophobicContact CB-CD2 4.19Å; Q485-L488 WeakPolarHBondContact O-CB 3.14Å; Q485-L488 PolarHBondContact O-N 3.49Å; Q485-L488 VanDerWaalsContact O-N 3.11Å; Y486-L488 PolarHBondContact O-N 3.48Å; L488-S490 PolarHBondContact O-N 3.03Å; L488-Y491 CarbonylContact O-C 3.44Å; L488-Y491 PolarHBondContact O-N 2.93Å; L488-T492 PolarHBondContact O-N 2.88Å; L488-T492 PolarHBondContact O-OG1 3.4Å |
| 489 | D | 96.7 | Very high | 96.8 | Very high | 74 Ų | 74 | 54.2 Ų | 54.2 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -59.1 | -40.3 | 179 | -67.4 | -9.6 | 0 | 0 | 0 | 110.7 | R135 Y486 G487 Y491 T492 | R135-D489 IonicContact CZ-OD1 3.99Å; R135-D489 IonicContact NH1-OD1 3.77Å; R135-D489 IonicContact NH2-OD1 2.59Å; R135-D489 PolarHBondContact NH2-OD1 3.45Å; Y486-D489 VanDerWaalsContact O-CB 3.3Å; Y486-D489 WeakPolarHBondContact O-CB 3.11Å; Y486-D489 PolarHBondContact O-N 2.86Å; Y486-D489 VanDerWaalsContact O-N 3.14Å; G487-D489 VanDerWaalsContact C-N 3.26Å; G487-D489 PolarHBondContact O-N 2.85Å; D489-Y491 PolarHBondContact O-N 2.94Å; D489-Y491 VanDerWaalsContact O-N 3.12Å; D489-T492 PolarHBondContact O-N 2.89Å |
| 490 | S | 96.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -60.7 | -22 | 176.9 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | K246 R481 G487 L488 | K246-S490 WeakPolarHBondContact CD-O 3.06Å; K246-S490 WeakPolarHBondContact CE-O 3.38Å; R481-S490 PolarHBondContact O-OG 2.67Å; G487-S490 WeakPolarHBondContact O-CB 3.45Å; G487-S490 PolarHBondContact O-N 2.85Å; L488-S490 PolarHBondContact O-N 3.03Å |
| 491 | Y | 98.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -114.3 | 13.7 | -174 | -70.3 | -77.6 | 0 | 0 | 0 | 113.8 | V138 C141 K157 P160 A161 C164 N166 K246 A248 L488 D489 | V138-Y491 WeakPolarHBondContact CG2-O 3.31Å; C141-Y491 HydrophobicContact CB-CE1 4.31Å; K157-Y491 PolarHBondContact O-OH 3.1Å; P160-Y491 HydrophobicContact CB-CD2 3.68Å; P160-Y491 HydrophobicContact CB-CE2 3.99Å; P160-Y491 HydrophobicContact CB-CG 4.43Å; P160-Y491 HydrophobicContact CG-CD2 3.85Å; P160-Y491 HydrophobicContact CG-CE2 3.59Å; A161-Y491 HydrophobicContact CB-CD1 3.62Å; A161-Y491 HydrophobicContact CB-CE1 3.55Å; A161-Y491 HydrophobicContact CB-CG 4.35Å; C164-Y491 WeakPolarHBondContact CB-O 3.16Å; N166-Y491 PolarHBondContact ND2-O 3.29Å; K246-Y491 HydrophobicContact CD-CD1 4.04Å; K246-Y491 HydrophobicContact CD-CE1 4.08Å; A248-Y491 WeakPolarHBondContact CB-OH 3.3Å; L488-Y491 CarbonylContact O-C 3.44Å; L488-Y491 PolarHBondContact O-N 2.93Å; D489-Y491 PolarHBondContact O-N 2.94Å; D489-Y491 VanDerWaalsContact O-N 3.12Å |
| 492 | T | 98.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.1 | 176.8 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | I118 R135 E136 C164 R270 L488 D489 | I118-T492 HydrophobicContact CG2-CG2 3.97Å; R135-T492 HydrophobicContact CB-CG2 4.33Å; R135-T492 PolarHBondContact NE-OG1 2.82Å; R135-T492 VanDerWaalsContact NE-OG1 3.14Å; R135-T492 PolarHBondContact NH1-OG1 2.83Å; R135-T492 PolarHBondContact NH2-OG1 3.46Å; E136-T492 CarbonylContact O-C 3.47Å; E136-T492 WeakPolarHBondContact O-CA 3.16Å; C164-T492 HydrophobicContact CB-CG2 4.04Å; C164-T492 VanDerWaalsContact SG-CG2 3.56Å; R270-T492 PolarHBondContact NH1-O 2.84Å; R270-T492 PolarHBondContact NH2-O 3.13Å; L488-T492 PolarHBondContact O-N 2.88Å; L488-T492 PolarHBondContact O-OG1 3.4Å; D489-T492 PolarHBondContact O-N 2.89Å |
| 493 | E | 97.6 | Very high | 92.8 | Very high | 85 Ų | 85 | 59 Ų | 59 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.1 | 172.1 | -174.7 | 63.7 | -90.5 | 0 | 0 | 109.9 | E136 R270 | E136-E493 PolarHBondContact N-O 3.46Å; E136-E493 PolarHBondContact O-N 2.82Å; R270-E493 IonicContact CZ-OE1 3.66Å; R270-E493 IonicContact CZ-OE2 2.86Å; R270-E493 IonicContact NE-OE2 3.03Å; R270-E493 PolarHBondContact NE-OE2 2.88Å; R270-E493 IonicContact NH1-OE2 2.7Å; R270-E493 IonicContact NH2-OE1 3.71Å; R270-E493 PolarHBondContact NH2-OE1 3.41Å; R270-E493 IonicContact NH2-OE2 3.59Å; R270-E493 PolarHBondContact NH2-OE2 3.49Å |
| 494 | V | 98 | Very high | 91.1 | Very high | 71 Ų | 71 | 62 Ų | 62 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 112.1 | -177.8 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | T133 R134 | T133-V494 HydrophobicContact CG2-CG1 4.15Å; R134-V494 WeakPolarHBondContact O-CA 3.46Å |
| 495 | K | 97.8 | Very high | 89.5 | Confident | 94 Ų | 94 | 65.7 Ų | 65.7 | 41% | 0.409 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120 | 172.5 | -177.4 | 178.6 | -67.4 | 163.5 | 0 | 109.8 | T133 R134 E136 V497 | T133-K495 CarbonylContact C-O 3.4Å; T133-K495 WeakPolarHBondContact CA-O 3.33Å; R134-K495 HydrophobicContact CB-CB 4.43Å; R134-K495 PolarHBondContact N-O 2.95Å; R134-K495 PolarHBondContact O-N 2.87Å; E136-K495 IonicContact OE1-NZ 2.67Å; E136-K495 PolarHBondContact OE1-NZ 3.08Å; E136-K495 VanDerWaalsContact OE2-CE 3.3Å; E136-K495 WeakPolarHBondContact OE2-CE 3.34Å; E136-K495 IonicContact OE2-NZ 3.51Å; E136-K495 PolarHBondContact OE2-NZ 3.26Å; K495-V497 HydrophobicContact CD-CG2 4.33Å; K495-V497 HydrophobicContact CG-CG2 4.16Å |
| 496 | S | 97.3 | Very high | 88 | Confident | 72 Ų | 72 | 65 Ų | 65 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.9 | 169.4 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 497 | V | 96.4 | Very high | 86.3 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.9 | 177.2 | -177 | 0 | 0 | 0 | 0 | 108.3 | A131 Y132 K495 | A131-V497 WeakPolarHBondContact CA-O 3.27Å; Y132-V497 HydrophobicContact CD1-CB 4.14Å; Y132-V497 HydrophobicContact CD1-CG1 4.47Å; Y132-V497 HydrophobicContact CE1-CB 3.62Å; Y132-V497 HydrophobicContact CE1-CG1 3.62Å; Y132-V497 HydrophobicContact CE1-CG2 4.47Å; Y132-V497 HydrophobicContact CE2-CB 4.19Å; Y132-V497 HydrophobicContact CE2-CG2 4.28Å; Y132-V497 PolarHBondContact N-O 3.49Å; Y132-V497 PolarHBondContact O-N 3.25Å; K495-V497 HydrophobicContact CD-CG2 4.33Å; K495-V497 HydrophobicContact CG-CG2 4.16Å |
| 498 | S | 93.6 | Very high | 84.5 | Confident | 77 Ų | 77 | 69.7 Ų | 69.7 | 54% | 0.538 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136.7 | 175.5 | -61 | 0 | 0 | 0 | 0 | 109.6 | F130 | F130-S498 WeakPolarHBondContact O-CA 3.45Å |
| 499 | R | 88.3 | Confident | 82.7 | Confident | 134 Ų | 134 | 69.5 Ų | 69.5 | 51% | 0.506 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 158.3 | 170.8 | 68.3 | 172.7 | -172.5 | 167.8 | 0.4 | 110.4 | Y129 F130 S501 | Y129-R499 CarbonylContact C-O 3.54Å; Y129-R499 VanDerWaalsContact CA-O 3.27Å; Y129-R499 WeakPolarHBondContact CA-O 3.49Å; F130-R499 HydrophobicContact CB-CG 4.08Å; F130-R499 HydrophobicContact CD1-CG 4.1Å; F130-R499 PolarHBondContact N-O 3.23Å; F130-R499 PolarHBondContact O-N 2.87Å; R499-S501 PolarHBondContact O-N 3.13Å |
| 500 | I | 85.7 | Confident | 81.2 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 135.2 | 168 | -67.5 | 169.2 | 0 | 0 | 0 | 108.6 | Y129 E504 I506 | Y129-I500 HydrophobicContact CD1-CG1 4.19Å; Y129-I500 HydrophobicContact CE1-CG1 3.92Å; I500-E504 HydrophobicContact CG2-CB 3.57Å; I500-E504 WeakPolarHBondContact CG2-O 3.45Å; I500-I506 HydrophobicContact CD1-CB 4.09Å; I500-I506 HydrophobicContact CD1-CD1 4.05Å; I500-I506 HydrophobicContact CD1-CG1 3.59Å; I500-I506 HydrophobicContact CD1-CG2 4.01Å |
| 501 | S | 80.2 | Confident | 79.5 | Confident | 27 Ų | 27 | 75 Ų | 75 | 19% | 0.189 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 142.5 | 179.6 | -71.2 | 0 | 0 | 0 | 0 | 110.8 | P127 K128 Y129 F130 R499 G503 E504 | P127-S501 PolarHBondContact O-OG 2.87Å; K128-S501 VanDerWaalsContact C-OG 3.29Å; K128-S501 WeakPolarHBondContact O-CB 3.49Å; K128-S501 PolarHBondContact O-N 3.38Å; K128-S501 PolarHBondContact O-OG 2.8Å; Y129-S501 WeakPolarHBondContact CA-OG 3.44Å; Y129-S501 PolarHBondContact N-OG 2.99Å; Y129-S501 PolarHBondContact O-OG 2.89Å; F130-S501 PolarHBondContact N-OG 3.5Å; R499-S501 PolarHBondContact O-N 3.13Å; S501-G503 PolarHBondContact O-N 2.91Å; S501-G503 VanDerWaalsContact O-N 3.13Å; S501-E504 PolarHBondContact O-N 3.1Å; S501-E504 VanDerWaalsContact O-N 3.1Å |
| 502 | V | 68.5 | Low | 77.7 | Confident | 128 Ų | 128 | 81.3 Ų | 81.3 | 78% | 0.776 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 117.9 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | ||
| 503 | G | 67.6 | Low | 76 | Confident | 81 Ų | 81 | 85 Ų | 85 | 84% | 0.835 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.5 | -16.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S501 | S501-G503 PolarHBondContact O-N 2.91Å; S501-G503 VanDerWaalsContact O-N 3.13Å |
| 504 | E | 62.9 | Low | 74.2 | Confident | 65 Ų | 65 | 86.7 Ų | 86.7 | 30% | 0.304 | 46% | 0.455 | S | S | . | . | trans | -91.1 | 122.7 | 174.3 | -71.3 | -73 | 155.8 | 0 | 0 | 110.2 | I500 S501 V509 | I500-E504 HydrophobicContact CG2-CB 3.57Å; I500-E504 WeakPolarHBondContact CG2-O 3.45Å; S501-E504 PolarHBondContact O-N 3.1Å; S501-E504 VanDerWaalsContact O-N 3.1Å; E504-V509 HydrophobicContact CB-CG2 3.85Å; E504-V509 HydrophobicContact CG-CG2 4.42Å; E504-V509 VanDerWaalsContact OE2-CG2 3.29Å; E504-V509 WeakPolarHBondContact OE2-CG2 3.33Å | ||
| 505 | N | 64.6 | Low | 72.4 | Confident | 79 Ų | 79 | 90.2 Ų | 90.2 | 42% | 0.422 | 47% | 0.465 | S | S | . | . | trans | -79.7 | 123.9 | 174.3 | -177.5 | -14.3 | 0 | 0 | 0 | 109.3 | K507 E508 V509 | N505-K507 PolarHBondContact O-N 3.12Å; N505-K507 VanDerWaalsContact O-N 3.07Å; N505-K507 PolarHBondContact OD1-N 3.07Å; N505-K507 VanDerWaalsContact OD1-N 3.12Å; N505-E508 HydrophobicContact CB-CB 4.07Å; N505-E508 HydrophobicContact CB-CG 4Å; N505-E508 WeakPolarHBondContact O-CA 3.29Å; N505-E508 PolarHBondContact O-N 2.69Å; N505-V509 WeakPolarHBondContact O-CG2 3.4Å; N505-V509 PolarHBondContact O-N 2.84Å | ||
| 506 | I | 65.8 | Low | 70.5 | Confident | 100 Ų | 100 | 95.7 Ų | 95.7 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -48.4 | -42.3 | -179.5 | -50.3 | -167.8 | 0 | 0 | 0 | 111.5 | I500 H510 | I500-I506 HydrophobicContact CD1-CB 4.09Å; I500-I506 HydrophobicContact CD1-CD1 4.05Å; I500-I506 HydrophobicContact CD1-CG1 3.59Å; I500-I506 HydrophobicContact CD1-CG2 4.01Å; I506-H510 PolarHBondContact O-N 3.15Å; I506-H510 VanDerWaalsContact O-N 3.15Å; I506-H510 PolarHBondContact O-ND1 2.87Å |
| 507 | K | 61.6 | Low | 68.5 | Low | 162 Ų | 162 | 96.8 Ų | 96.8 | 70% | 0.704 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.5 | -41.2 | 179.5 | -68 | -173.8 | 177.8 | -177.8 | 0 | 112 | N505 L511 | N505-K507 PolarHBondContact O-N 3.12Å; N505-K507 VanDerWaalsContact O-N 3.07Å; N505-K507 PolarHBondContact OD1-N 3.07Å; N505-K507 VanDerWaalsContact OD1-N 3.12Å; K507-L511 VanDerWaalsContact O-CB 3.32Å; K507-L511 WeakPolarHBondContact O-CB 3.5Å; K507-L511 WeakPolarHBondContact O-CD1 3.49Å; K507-L511 WeakPolarHBondContact O-CG 3.2Å; K507-L511 PolarHBondContact O-N 3.29Å |
| 508 | E | 61.1 | Low | 66.4 | Low | 90 Ų | 90 | 102.9 Ų | 102.9 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 178.1 | -70.7 | -174.5 | -167.4 | 0 | 0 | 112.4 | N505 L511 R512 | N505-E508 HydrophobicContact CB-CB 4.07Å; N505-E508 HydrophobicContact CB-CG 4Å; N505-E508 WeakPolarHBondContact O-CA 3.29Å; N505-E508 PolarHBondContact O-N 2.69Å; E508-L511 PolarHBondContact O-N 3.27Å; E508-R512 WeakPolarHBondContact O-CB 3.45Å; E508-R512 VanDerWaalsContact O-CG 3.28Å; E508-R512 WeakPolarHBondContact O-CG 3.28Å; E508-R512 PolarHBondContact O-N 2.92Å; E508-R512 IonicContact OE2-NH2 3.59Å |
| 509 | V | 60.1 | Low | 65 | Low | 1 Ų | 1 | 104.2 Ų | 104.2 | 1% | 0.006 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 175.4 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | K128 E504 N505 E513 | K128-V509 HydrophobicContact CD-CG1 4.16Å; E504-V509 HydrophobicContact CB-CG2 3.85Å; E504-V509 HydrophobicContact CG-CG2 4.42Å; E504-V509 VanDerWaalsContact OE2-CG2 3.29Å; E504-V509 WeakPolarHBondContact OE2-CG2 3.33Å; N505-V509 WeakPolarHBondContact O-CG2 3.4Å; N505-V509 PolarHBondContact O-N 2.84Å; V509-E513 WeakPolarHBondContact O-CG 3.32Å; V509-E513 PolarHBondContact O-N 2.9Å; V509-E513 VanDerWaalsContact O-N 3.14Å |
| 510 | H | 64.8 | Low | 63.8 | Low | 115 Ų | 115 | 102.6 Ų | 102.6 | 53% | 0.532 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 178.9 | -75.3 | 67.5 | 0 | 0 | 0 | 111.9 | I506 E513 H514 | I506-H510 PolarHBondContact O-N 3.15Å; I506-H510 VanDerWaalsContact O-N 3.15Å; I506-H510 PolarHBondContact O-ND1 2.87Å; H510-E513 PolarHBondContact O-N 3.14Å; H510-H514 WeakPolarHBondContact O-CB 3.48Å; H510-H514 PolarHBondContact O-N 3.31Å |
| 511 | L | 59.9 | Low | 62.5 | Low | 97 Ų | 97 | 105.7 Ų | 105.7 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 177.2 | -76.4 | 165.1 | 0 | 0 | 0 | 111.6 | K507 E508 E513 H514 F515 | K507-L511 VanDerWaalsContact O-CB 3.32Å; K507-L511 WeakPolarHBondContact O-CB 3.5Å; K507-L511 WeakPolarHBondContact O-CD1 3.49Å; K507-L511 WeakPolarHBondContact O-CG 3.2Å; K507-L511 PolarHBondContact O-N 3.29Å; E508-L511 PolarHBondContact O-N 3.27Å; L511-E513 PolarHBondContact O-N 3.44Å; L511-H514 PolarHBondContact O-N 3.36Å; L511-F515 HydrophobicContact CD2-CE2 4.34Å; L511-F515 WeakPolarHBondContact O-CD2 3.18Å; L511-F515 PolarHBondContact O-N 3.1Å |
| 512 | R | 61.7 | Low | 61.5 | Low | 137 Ų | 137 | 110.3 Ų | 110.3 | 52% | 0.517 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -30.6 | 178.4 | -74.4 | 178.2 | -173.6 | 178.7 | 6.7 | 112.8 | E508 R516 | E508-R512 WeakPolarHBondContact O-CB 3.45Å; E508-R512 VanDerWaalsContact O-CG 3.28Å; E508-R512 WeakPolarHBondContact O-CG 3.28Å; E508-R512 PolarHBondContact O-N 2.92Å; E508-R512 IonicContact OE2-NH2 3.59Å; R512-R516 WeakPolarHBondContact O-CG 3.41Å; R512-R516 PolarHBondContact O-N 2.93Å |
| 513 | E | 63.4 | Low | 61.1 | Low | 79 Ų | 79 | 109.2 Ų | 109.2 | 37% | 0.369 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -75 | -42.2 | 174.6 | -75.2 | 180 | -177.4 | 0 | 0 | 111.7 | K128 V509 H510 L511 F515 R516 S517 | K128-E513 IonicContact NZ-OE1 2.69Å; K128-E513 PolarHBondContact NZ-OE1 2.97Å; V509-E513 WeakPolarHBondContact O-CG 3.32Å; V509-E513 PolarHBondContact O-N 2.9Å; V509-E513 VanDerWaalsContact O-N 3.14Å; H510-E513 PolarHBondContact O-N 3.14Å; L511-E513 PolarHBondContact O-N 3.44Å; E513-F515 VanDerWaalsContact C-N 3.31Å; E513-F515 PolarHBondContact O-N 2.97Å; E513-R516 PolarHBondContact O-N 3.2Å; E513-R516 VanDerWaalsContact O-N 3.1Å; E513-S517 PolarHBondContact O-N 3.36Å; E513-S517 VanDerWaalsContact O-N 3.09Å; E513-S517 PolarHBondContact O-OG 3.39Å |
| 514 | H | 59.8 | Low | 60.6 | Low | 120 Ų | 120 | 111.1 Ų | 111.1 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61 | -39.5 | 175.5 | -158 | 66.6 | 0 | 0 | 0 | 112.3 | H510 L511 R516 S517 L518 | H510-H514 WeakPolarHBondContact O-CB 3.48Å; H510-H514 PolarHBondContact O-N 3.31Å; L511-H514 PolarHBondContact O-N 3.36Å; H514-R516 VanDerWaalsContact C-N 3.35Å; H514-S517 PolarHBondContact O-N 3.49Å; H514-S517 PolarHBondContact O-OG 2.95Å; H514-L518 PolarHBondContact O-N 3.09Å |
| 515 | F | 59 | Low | 60.5 | Low | 146 Ų | 146 | 114.4 Ų | 114.4 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -75.8 | -14.6 | 175.4 | -79.3 | -70 | 0 | 0 | 0 | 114.8 | L511 E513 | L511-F515 HydrophobicContact CD2-CE2 4.34Å; L511-F515 WeakPolarHBondContact O-CD2 3.18Å; L511-F515 PolarHBondContact O-N 3.1Å; E513-F515 VanDerWaalsContact C-N 3.31Å; E513-F515 PolarHBondContact O-N 2.97Å |
| 516 | R | 59 | Low | 60.2 | Low | 209 Ų | 209 | 117.1 Ų | 117.1 | 79% | 0.789 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -91.8 | -19.5 | 173.1 | -83.1 | -176.5 | 177.6 | -172.9 | -0.3 | 113 | R512 E513 H514 | R512-R516 WeakPolarHBondContact O-CG 3.41Å; R512-R516 PolarHBondContact O-N 2.93Å; E513-R516 PolarHBondContact O-N 3.2Å; E513-R516 VanDerWaalsContact O-N 3.1Å; H514-R516 VanDerWaalsContact C-N 3.35Å |
| 517 | S | 55.7 | Low | 59.7 | Low | 95 Ų | 95 | 118.5 Ų | 118.5 | 66% | 0.664 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -89.1 | -16.9 | 176.1 | 59.1 | 0 | 0 | 0 | 0 | 114 | E513 H514 | E513-S517 PolarHBondContact O-N 3.36Å; E513-S517 VanDerWaalsContact O-N 3.09Å; E513-S517 PolarHBondContact O-OG 3.39Å; H514-S517 PolarHBondContact O-N 3.49Å; H514-S517 PolarHBondContact O-OG 2.95Å |
| 518 | L | 50.4 | Low | 59.5 | Low | 171 Ų | 171 | 114.5 Ų | 114.5 | 90% | 0.895 | 54% | 0.536 | S | S | * | . | trans | -85 | 0 | 163.7 | -72.6 | 164.8 | 0 | 0 | 0 | 108.9 | H514 | H514-L518 PolarHBondContact O-N 3.09Š|
Retrieved 518 of 518 residues in 472.6 ms
(Link to these results)